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[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000819689309 945269823 /nfs/dbraw/zinc/26/98/23/945269823.db2.gz ZBEJJDPMIXOTJR-IAQYHMDHSA-N -1 3 389.437 0.879 20 30 GCEDHM C#CC[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000819689309 945269831 /nfs/dbraw/zinc/26/98/31/945269831.db2.gz ZBEJJDPMIXOTJR-IAQYHMDHSA-N -1 3 389.437 0.879 20 30 GCEDHM C#CC[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000819688666 945270536 /nfs/dbraw/zinc/27/05/36/945270536.db2.gz LTYNPEDDGCLIFY-IAQYHMDHSA-N -1 3 389.437 0.879 20 30 GCEDHM C#CC[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000819688666 945270543 /nfs/dbraw/zinc/27/05/43/945270543.db2.gz LTYNPEDDGCLIFY-IAQYHMDHSA-N -1 3 389.437 0.879 20 30 GCEDHM N#Cc1ccc2c(c1)C[C@@H](NC(=O)CNC(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC001571276718 945736323 /nfs/dbraw/zinc/73/63/23/945736323.db2.gz KBNJRGIDSKSSEK-KRWDZBQOSA-N -1 3 387.403 0.752 20 30 GCEDHM N#Cc1ccc2c(c1)C[C@@H](NC(=O)CNC(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001571276718 945736330 /nfs/dbraw/zinc/73/63/30/945736330.db2.gz KBNJRGIDSKSSEK-KRWDZBQOSA-N -1 3 387.403 0.752 20 30 GCEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1Cc2cnccc2NC1=O ZINC001571285964 945932704 /nfs/dbraw/zinc/93/27/04/945932704.db2.gz SWOXSPOHPUUING-CZUORRHYSA-N -1 3 388.391 0.624 20 30 GCEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1Cc2cnccc2NC1=O ZINC001571285963 945932878 /nfs/dbraw/zinc/93/28/78/945932878.db2.gz SWOXSPOHPUUING-CJNGLKHVSA-N -1 3 388.391 0.624 20 30 GCEDHM N#Cc1ccc(N2CC[C@H]3[C@@H]2CCCN3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001571295733 946171827 /nfs/dbraw/zinc/17/18/27/946171827.db2.gz DKMQFTKGUUNZHG-GJZGRUSLSA-N -1 3 390.411 0.740 20 30 GCEDHM N#Cc1ccc(N2CC[C@H]3[C@@H]2CCCN3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001571295733 946171837 /nfs/dbraw/zinc/17/18/37/946171837.db2.gz DKMQFTKGUUNZHG-GJZGRUSLSA-N -1 3 390.411 0.740 20 30 GCEDHM N#Cc1ccc(N2CC[C@H]3[C@H]2CCCN3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001571295732 946172834 /nfs/dbraw/zinc/17/28/34/946172834.db2.gz DKMQFTKGUUNZHG-CABCVRRESA-N -1 3 390.411 0.740 20 30 GCEDHM N#Cc1ccc(N2CC[C@H]3[C@H]2CCCN3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001571295732 946172841 /nfs/dbraw/zinc/17/28/41/946172841.db2.gz DKMQFTKGUUNZHG-CABCVRRESA-N -1 3 390.411 0.740 20 30 GCEDHM N#C[C@@H](OC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)C1CC1 ZINC000822801895 946190003 /nfs/dbraw/zinc/19/00/03/946190003.db2.gz QJRZRPIHTFUGLI-UONOGXRCSA-N -1 3 395.379 0.917 20 30 GCEDHM N#C[C@@H](OC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1CC1 ZINC000822801895 946190008 /nfs/dbraw/zinc/19/00/08/946190008.db2.gz QJRZRPIHTFUGLI-UONOGXRCSA-N -1 3 395.379 0.917 20 30 GCEDHM N#Cc1cnc(N2C[C@@H]3CCCN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)[C@@H]3C2)cn1 ZINC001571296492 946195915 /nfs/dbraw/zinc/19/59/15/946195915.db2.gz ZHUYJLUPXNGPHS-XHDPSFHLSA-N -1 3 390.411 0.597 20 30 GCEDHM N#Cc1cnc(N2C[C@@H]3CCCN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)[C@@H]3C2)cn1 ZINC001571296492 946195919 /nfs/dbraw/zinc/19/59/19/946195919.db2.gz ZHUYJLUPXNGPHS-XHDPSFHLSA-N -1 3 390.411 0.597 20 30 GCEDHM N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[nH]1 ZINC001571301735 946281413 /nfs/dbraw/zinc/28/14/13/946281413.db2.gz BSLIPGAHHQNGOV-BETUJISGSA-N -1 3 391.395 0.524 20 30 GCEDHM N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[nH]1 ZINC001571301735 946281421 /nfs/dbraw/zinc/28/14/21/946281421.db2.gz BSLIPGAHHQNGOV-BETUJISGSA-N -1 3 391.395 0.524 20 30 GCEDHM N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(-c4nnn[n-]4)c[nH]2)C3)[nH]1 ZINC001571301782 946282773 /nfs/dbraw/zinc/28/27/73/946282773.db2.gz DEDLEBNOPOWIIL-ZLDLUXBVSA-N -1 3 391.395 0.570 20 30 GCEDHM N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(-c4nn[n-]n4)c[nH]2)C3)[nH]1 ZINC001571301782 946282778 /nfs/dbraw/zinc/28/27/78/946282778.db2.gz DEDLEBNOPOWIIL-ZLDLUXBVSA-N -1 3 391.395 0.570 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N2C[C@@H]3CCN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)[C@@H]3C2)c1 ZINC001571302001 946290316 /nfs/dbraw/zinc/29/03/16/946290316.db2.gz LDEANADQNLLQKU-XHDPSFHLSA-N -1 3 391.395 0.381 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N2C[C@@H]3CCN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)[C@@H]3C2)c1 ZINC001571302001 946290325 /nfs/dbraw/zinc/29/03/25/946290325.db2.gz LDEANADQNLLQKU-XHDPSFHLSA-N -1 3 391.395 0.381 20 30 GCEDHM N#Cc1cccc(CN2CCOC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001571309746 946452943 /nfs/dbraw/zinc/45/29/43/946452943.db2.gz JJBWWBYQFSHHEB-HNNXBMFYSA-N -1 3 392.423 0.697 20 30 GCEDHM N#Cc1cccc(CN2CCOC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001571309746 946452952 /nfs/dbraw/zinc/45/29/52/946452952.db2.gz JJBWWBYQFSHHEB-HNNXBMFYSA-N -1 3 392.423 0.697 20 30 GCEDHM N#Cc1cc(C(=O)NC[C@@H]2CN(Cc3cccc(-c4nnn[n-]4)c3)CCO2)c[nH]1 ZINC001571309874 946455398 /nfs/dbraw/zinc/45/53/98/946455398.db2.gz NRIDTAMMWJHEDO-QGZVFWFLSA-N -1 3 392.423 0.697 20 30 GCEDHM N#Cc1cc(C(=O)NC[C@@H]2CN(Cc3cccc(-c4nn[n-]n4)c3)CCO2)c[nH]1 ZINC001571309874 946455408 /nfs/dbraw/zinc/45/54/08/946455408.db2.gz NRIDTAMMWJHEDO-QGZVFWFLSA-N -1 3 392.423 0.697 20 30 GCEDHM N#Cc1ccc(C(=O)NC[C@@H]2COCCN2Cc2cccc(-c3nnn[n-]3)c2)[nH]1 ZINC001571309898 946457084 /nfs/dbraw/zinc/45/70/84/946457084.db2.gz OYUCMVFKVKJGRD-MRXNPFEDSA-N -1 3 392.423 0.697 20 30 GCEDHM N#Cc1ccc(C(=O)NC[C@@H]2COCCN2Cc2cccc(-c3nn[n-]n3)c2)[nH]1 ZINC001571309898 946457090 /nfs/dbraw/zinc/45/70/90/946457090.db2.gz OYUCMVFKVKJGRD-MRXNPFEDSA-N -1 3 392.423 0.697 20 30 GCEDHM C#CCN1CCN(C(=O)CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC000823849852 946491570 /nfs/dbraw/zinc/49/15/70/946491570.db2.gz AZULFFCNJUABDE-GOSISDBHSA-N -1 3 395.467 0.017 20 30 GCEDHM C#CCN1CCN(C(=O)CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000823849852 946491577 /nfs/dbraw/zinc/49/15/77/946491577.db2.gz AZULFFCNJUABDE-GOSISDBHSA-N -1 3 395.467 0.017 20 30 GCEDHM Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C)n1 ZINC001571312581 946496531 /nfs/dbraw/zinc/49/65/31/946496531.db2.gz HYKUNGASSXALGG-SMDDNHRTSA-N -1 3 392.427 0.952 20 30 GCEDHM Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C)n1 ZINC001571312581 946496539 /nfs/dbraw/zinc/49/65/39/946496539.db2.gz HYKUNGASSXALGG-SMDDNHRTSA-N -1 3 392.427 0.952 20 30 GCEDHM CCc1nc(C#N)cc(NC[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571312954 946508453 /nfs/dbraw/zinc/50/84/53/946508453.db2.gz MMONORLUSCHYRN-NSHDSACASA-N -1 3 392.427 0.993 20 30 GCEDHM CCc1nc(C#N)cc(NC[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571312954 946508462 /nfs/dbraw/zinc/50/84/62/946508462.db2.gz MMONORLUSCHYRN-NSHDSACASA-N -1 3 392.427 0.993 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823931809 946520681 /nfs/dbraw/zinc/52/06/81/946520681.db2.gz FUTNSJFSCYONOC-UHFFFAOYSA-N -1 3 380.430 0.275 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823931809 946520691 /nfs/dbraw/zinc/52/06/91/946520691.db2.gz FUTNSJFSCYONOC-UHFFFAOYSA-N -1 3 380.430 0.275 20 30 GCEDHM C#CCN(C(=O)[C@H]1C[C@H]1C)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573281942 946681644 /nfs/dbraw/zinc/68/16/44/946681644.db2.gz CXGTYSAOKIJODJ-OCCSQVGLSA-N -1 3 381.440 0.917 20 30 GCEDHM C#CCN(C(=O)[C@H]1C[C@H]1C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573281942 946681648 /nfs/dbraw/zinc/68/16/48/946681648.db2.gz CXGTYSAOKIJODJ-OCCSQVGLSA-N -1 3 381.440 0.917 20 30 GCEDHM C#CCN(C(=O)[C@H](O)C(C)C)C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573282228 946686777 /nfs/dbraw/zinc/68/67/77/946686777.db2.gz GZELADLASCCNGX-QGZVFWFLSA-N -1 3 383.456 0.709 20 30 GCEDHM C#CCN(C(=O)[C@H](O)C(C)C)C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573282228 946686781 /nfs/dbraw/zinc/68/67/81/946686781.db2.gz GZELADLASCCNGX-QGZVFWFLSA-N -1 3 383.456 0.709 20 30 GCEDHM C#CCCCCC(=O)N[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)C[C@H]1O ZINC001573283047 946704574 /nfs/dbraw/zinc/70/45/74/946704574.db2.gz REKITLLLPXVTNH-VXGBXAGGSA-N -1 3 375.458 0.491 20 30 GCEDHM C#CCCCCC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573283262 946710072 /nfs/dbraw/zinc/71/00/72/946710072.db2.gz GSCNLJVWCDLTNK-CQSZACIVSA-N -1 3 385.428 0.346 20 30 GCEDHM C#CCCCCC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573283262 946710076 /nfs/dbraw/zinc/71/00/76/946710076.db2.gz GSCNLJVWCDLTNK-CQSZACIVSA-N -1 3 385.428 0.346 20 30 GCEDHM C#CCCCCC(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573284085 946735591 /nfs/dbraw/zinc/73/55/91/946735591.db2.gz RCXRGGCNYCMUNF-CQSZACIVSA-N -1 3 385.428 0.346 20 30 GCEDHM C#CCCCCC(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573284085 946735601 /nfs/dbraw/zinc/73/56/01/946735601.db2.gz RCXRGGCNYCMUNF-CQSZACIVSA-N -1 3 385.428 0.346 20 30 GCEDHM C#CCCCC(=O)N[C@@H]1CN(Cc2ccc(OC)c(-c3nnn[n-]3)c2)C[C@H]1OC ZINC001573284072 946736334 /nfs/dbraw/zinc/73/63/34/946736334.db2.gz QQDBJAWUEHAULL-SJLPKXTDSA-N -1 3 398.467 0.994 20 30 GCEDHM C#CCCCC(=O)N[C@@H]1CN(Cc2ccc(OC)c(-c3nn[n-]n3)c2)C[C@H]1OC ZINC001573284072 946736342 /nfs/dbraw/zinc/73/63/42/946736342.db2.gz QQDBJAWUEHAULL-SJLPKXTDSA-N -1 3 398.467 0.994 20 30 GCEDHM C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001573284966 946761853 /nfs/dbraw/zinc/76/18/53/946761853.db2.gz PEGJGSNBOVMEDD-ZDUSSCGKSA-N -1 3 383.412 0.098 20 30 GCEDHM C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001573284966 946761862 /nfs/dbraw/zinc/76/18/62/946761862.db2.gz PEGJGSNBOVMEDD-ZDUSSCGKSA-N -1 3 383.412 0.098 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N[C@H](C)CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573285130 946767114 /nfs/dbraw/zinc/76/71/14/946767114.db2.gz DMIIGFAEQZHOJD-HIFRSBDPSA-N -1 3 383.460 0.451 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N[C@H](C)CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573285130 946767124 /nfs/dbraw/zinc/76/71/24/946767124.db2.gz DMIIGFAEQZHOJD-HIFRSBDPSA-N -1 3 383.460 0.451 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1C[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)[C@H](C)C1 ZINC001573285399 946778406 /nfs/dbraw/zinc/77/84/06/946778406.db2.gz HEUMTWQIXVNIHO-MBNYWOFBSA-N -1 3 387.419 0.946 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1C[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)[C@H](C)C1 ZINC001573285399 946778417 /nfs/dbraw/zinc/77/84/17/946778417.db2.gz HEUMTWQIXVNIHO-MBNYWOFBSA-N -1 3 387.419 0.946 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NCCCN(CC)c1nccnc1-c1nnn[n-]1 ZINC001573285410 946778816 /nfs/dbraw/zinc/77/88/16/946778816.db2.gz HOFKEKXRYHIRNL-AWEZNQCLSA-N -1 3 383.460 0.087 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NCCCN(CC)c1nccnc1-c1nn[n-]n1 ZINC001573285410 946778824 /nfs/dbraw/zinc/77/88/24/946778824.db2.gz HOFKEKXRYHIRNL-AWEZNQCLSA-N -1 3 383.460 0.087 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573285527 946780307 /nfs/dbraw/zinc/78/03/07/946780307.db2.gz IRCOTBQJKAORBS-CMPLNLGQSA-N -1 3 375.820 0.966 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573285527 946780316 /nfs/dbraw/zinc/78/03/16/946780316.db2.gz IRCOTBQJKAORBS-CMPLNLGQSA-N -1 3 375.820 0.966 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573286141 946796384 /nfs/dbraw/zinc/79/63/84/946796384.db2.gz USBNPFHVHAGFDV-FZKQIMNGSA-N -1 3 385.428 0.065 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573286141 946796389 /nfs/dbraw/zinc/79/63/89/946796389.db2.gz USBNPFHVHAGFDV-FZKQIMNGSA-N -1 3 385.428 0.065 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)ccc1-c1nnn[n-]1 ZINC001573286202 946798902 /nfs/dbraw/zinc/79/89/02/946798902.db2.gz WECFCTXQPFOISR-ZOBUZTSGSA-N -1 3 392.467 0.457 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)ccc1-c1nn[n-]n1 ZINC001573286202 946798907 /nfs/dbraw/zinc/79/89/07/946798907.db2.gz WECFCTXQPFOISR-ZOBUZTSGSA-N -1 3 392.467 0.457 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573286354 946801540 /nfs/dbraw/zinc/80/15/40/946801540.db2.gz ZLUSPSJPFIAUSN-ZFWWWQNUSA-N -1 3 383.460 0.307 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573286354 946801552 /nfs/dbraw/zinc/80/15/52/946801552.db2.gz ZLUSPSJPFIAUSN-ZFWWWQNUSA-N -1 3 383.460 0.307 20 30 GCEDHM C#CCO[C@H](C)C(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573286456 946808286 /nfs/dbraw/zinc/80/82/86/946808286.db2.gz CBOGMWGURHIQNY-RISCZKNCSA-N -1 3 387.444 0.494 20 30 GCEDHM C#CCO[C@H](C)C(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573286456 946808299 /nfs/dbraw/zinc/80/82/99/946808299.db2.gz CBOGMWGURHIQNY-RISCZKNCSA-N -1 3 387.444 0.494 20 30 GCEDHM C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)ccc1-c1nnn[n-]1 ZINC001573286517 946809497 /nfs/dbraw/zinc/80/94/97/946809497.db2.gz CYFCWSZDNOPACN-VDERGJSUSA-N -1 3 381.440 0.834 20 30 GCEDHM C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)ccc1-c1nn[n-]n1 ZINC001573286517 946809513 /nfs/dbraw/zinc/80/95/13/946809513.db2.gz CYFCWSZDNOPACN-VDERGJSUSA-N -1 3 381.440 0.834 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001573286597 946810797 /nfs/dbraw/zinc/81/07/97/946810797.db2.gz FWWCZNUUUGHSMQ-IRXDYDNUSA-N -1 3 381.440 0.871 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001573286597 946810805 /nfs/dbraw/zinc/81/08/05/946810805.db2.gz FWWCZNUUUGHSMQ-IRXDYDNUSA-N -1 3 381.440 0.871 20 30 GCEDHM C#Cc1ccc(C(=O)N2CCN(c3snc(C)c3-c3nnn[n-]3)CC2)cn1 ZINC001573286985 946822994 /nfs/dbraw/zinc/82/29/94/946822994.db2.gz DKIBSMXBBJGNHJ-UHFFFAOYSA-N -1 3 380.437 0.970 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573287015 946823294 /nfs/dbraw/zinc/82/32/94/946823294.db2.gz KJYVKDDISIQNJY-ZDUSSCGKSA-N -1 3 385.428 0.203 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573287015 946823302 /nfs/dbraw/zinc/82/33/02/946823302.db2.gz KJYVKDDISIQNJY-ZDUSSCGKSA-N -1 3 385.428 0.203 20 30 GCEDHM C#CCO[C@H](C)C(=O)NC[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573287392 946836260 /nfs/dbraw/zinc/83/62/60/946836260.db2.gz NGJMZKUAKMBNOJ-VXGBXAGGSA-N -1 3 389.847 0.896 20 30 GCEDHM C#CCO[C@H](C)C(=O)NC[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573287392 946836279 /nfs/dbraw/zinc/83/62/79/946836279.db2.gz NGJMZKUAKMBNOJ-VXGBXAGGSA-N -1 3 389.847 0.896 20 30 GCEDHM C#CCOCCC(=O)NCC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001573287551 946841456 /nfs/dbraw/zinc/84/14/56/946841456.db2.gz DBMXCJGNUPKZAH-GDBMZVCRSA-N -1 3 383.456 0.880 20 30 GCEDHM C#CCOCCC(=O)NCC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001573287551 946841466 /nfs/dbraw/zinc/84/14/66/946841466.db2.gz DBMXCJGNUPKZAH-GDBMZVCRSA-N -1 3 383.456 0.880 20 30 GCEDHM C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001573288078 946854823 /nfs/dbraw/zinc/85/48/23/946854823.db2.gz MSVMVARIMPPRQU-KBPBESRZSA-N -1 3 388.391 0.310 20 30 GCEDHM C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001573288078 946854835 /nfs/dbraw/zinc/85/48/35/946854835.db2.gz MSVMVARIMPPRQU-KBPBESRZSA-N -1 3 388.391 0.310 20 30 GCEDHM C#CCOCCC(=O)N(C)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573288026 946855496 /nfs/dbraw/zinc/85/54/96/946855496.db2.gz RPEBXGQNMYJCMQ-CQSZACIVSA-N -1 3 385.428 0.298 20 30 GCEDHM C#CCOCCC(=O)N(C)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573288026 946855501 /nfs/dbraw/zinc/85/55/01/946855501.db2.gz RPEBXGQNMYJCMQ-CQSZACIVSA-N -1 3 385.428 0.298 20 30 GCEDHM C#CCOCCC(=O)N[C@](C)(CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573288163 946857086 /nfs/dbraw/zinc/85/70/86/946857086.db2.gz SEBFDSCRKHUHGA-GOSISDBHSA-N -1 3 385.428 0.249 20 30 GCEDHM C#CCOCCC(=O)N[C@](C)(CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573288163 946857101 /nfs/dbraw/zinc/85/71/01/946857101.db2.gz SEBFDSCRKHUHGA-GOSISDBHSA-N -1 3 385.428 0.249 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](C)C1 ZINC001573288278 946864272 /nfs/dbraw/zinc/86/42/72/946864272.db2.gz UCMVBEBVDFFZLC-OLZOCXBDSA-N -1 3 385.428 0.202 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](C)C1 ZINC001573288278 946864284 /nfs/dbraw/zinc/86/42/84/946864284.db2.gz UCMVBEBVDFFZLC-OLZOCXBDSA-N -1 3 385.428 0.202 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](C)C1 ZINC001573288275 946864411 /nfs/dbraw/zinc/86/44/11/946864411.db2.gz UCMVBEBVDFFZLC-CHWSQXEVSA-N -1 3 385.428 0.202 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](C)C1 ZINC001573288275 946864427 /nfs/dbraw/zinc/86/44/27/946864427.db2.gz UCMVBEBVDFFZLC-CHWSQXEVSA-N -1 3 385.428 0.202 20 30 GCEDHM C#Cc1ccc(C(=O)N2CCC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC001573288606 946872379 /nfs/dbraw/zinc/87/23/79/946872379.db2.gz SDFSCRMBTIHKJS-HNNXBMFYSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1ccc(C(=O)N2CCC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC001573288606 946872388 /nfs/dbraw/zinc/87/23/88/946872388.db2.gz SDFSCRMBTIHKJS-HNNXBMFYSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc1 ZINC001573288620 946874087 /nfs/dbraw/zinc/87/40/87/946874087.db2.gz SEZPJSYTMGALFU-KBPBESRZSA-N -1 3 388.391 0.310 20 30 GCEDHM C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc1 ZINC001573288620 946874092 /nfs/dbraw/zinc/87/40/92/946874092.db2.gz SEZPJSYTMGALFU-KBPBESRZSA-N -1 3 388.391 0.310 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001573289159 946883362 /nfs/dbraw/zinc/88/33/62/946883362.db2.gz WWJGCUHXXBIEDB-GFCCVEGCSA-N -1 3 390.407 0.463 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001573289159 946883376 /nfs/dbraw/zinc/88/33/76/946883376.db2.gz WWJGCUHXXBIEDB-GFCCVEGCSA-N -1 3 390.407 0.463 20 30 GCEDHM C#Cc1ccc(C(=O)NCC2(O)CN(Cc3ccccc3-c3nnn[n-]3)C2)nc1 ZINC001573289058 946883521 /nfs/dbraw/zinc/88/35/21/946883521.db2.gz WOZYZGCKKNJGPL-UHFFFAOYSA-N -1 3 389.419 0.220 20 30 GCEDHM C#Cc1ccc(C(=O)NCC2(O)CN(Cc3ccccc3-c3nn[n-]n3)C2)nc1 ZINC001573289058 946883526 /nfs/dbraw/zinc/88/35/26/946883526.db2.gz WOZYZGCKKNJGPL-UHFFFAOYSA-N -1 3 389.419 0.220 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)cc1 ZINC001573289633 946889205 /nfs/dbraw/zinc/88/92/05/946889205.db2.gz ACSUOUWULJMQIY-CVEARBPZSA-N -1 3 375.392 0.223 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)cc1 ZINC001573289633 946889219 /nfs/dbraw/zinc/88/92/19/946889219.db2.gz ACSUOUWULJMQIY-CVEARBPZSA-N -1 3 375.392 0.223 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3cccc(-c4nn[n-]n4)c3)C[C@@H]2O)cn1 ZINC001573290139 946898578 /nfs/dbraw/zinc/89/85/78/946898578.db2.gz FTSUXFXQEKVWMZ-MSOLQXFVSA-N -1 3 389.419 0.218 20 30 GCEDHM C#Cc1ccccc1CC(=O)NC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573290235 946900845 /nfs/dbraw/zinc/90/08/45/946900845.db2.gz HOMRCBZFLWQUDA-LBPRGKRZSA-N -1 3 377.408 0.653 20 30 GCEDHM C#Cc1ccccc1CC(=O)NC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573290235 946900851 /nfs/dbraw/zinc/90/08/51/946900851.db2.gz HOMRCBZFLWQUDA-LBPRGKRZSA-N -1 3 377.408 0.653 20 30 GCEDHM C#CCOCCC(=O)NCC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC001573290532 946905561 /nfs/dbraw/zinc/90/55/61/946905561.db2.gz YOVNGBUGNOQYQZ-HUUCEWRRSA-N -1 3 383.456 0.880 20 30 GCEDHM C#CCOCCC(=O)NCC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC001573290532 946905564 /nfs/dbraw/zinc/90/55/64/946905564.db2.gz YOVNGBUGNOQYQZ-HUUCEWRRSA-N -1 3 383.456 0.880 20 30 GCEDHM C#Cc1cncc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001573291000 946913386 /nfs/dbraw/zinc/91/33/86/946913386.db2.gz UZSXILLRBWMJRW-BZNIZROVSA-N -1 3 390.407 0.462 20 30 GCEDHM C#Cc1cncc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001573291000 946913388 /nfs/dbraw/zinc/91/33/88/946913388.db2.gz UZSXILLRBWMJRW-BZNIZROVSA-N -1 3 390.407 0.462 20 30 GCEDHM C#Cc1cncc(C(=O)NC[C@H](CC)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001573291837 946924526 /nfs/dbraw/zinc/92/45/26/946924526.db2.gz KDUABUHQQGAVFL-ZDUSSCGKSA-N -1 3 378.396 0.510 20 30 GCEDHM C#Cc1cncc(C(=O)NC[C@H](CC)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001573291837 946924536 /nfs/dbraw/zinc/92/45/36/946924536.db2.gz KDUABUHQQGAVFL-ZDUSSCGKSA-N -1 3 378.396 0.510 20 30 GCEDHM C#Cc1cncc(C(=O)N[C@@H](C)CCCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001573292149 946927973 /nfs/dbraw/zinc/92/79/73/946927973.db2.gz PDCNRNVAOMJWJJ-LBPRGKRZSA-N -1 3 392.423 0.900 20 30 GCEDHM C#Cc1cncc(C(=O)N[C@@H](C)CCCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001573292149 946927984 /nfs/dbraw/zinc/92/79/84/946927984.db2.gz PDCNRNVAOMJWJJ-LBPRGKRZSA-N -1 3 392.423 0.900 20 30 GCEDHM C[C@@H](C#N)C(=O)N(C)CCOCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573560624 946954065 /nfs/dbraw/zinc/95/40/65/946954065.db2.gz DTSGPDIKBDYANM-JTQLQIEISA-N -1 3 378.824 0.962 20 30 GCEDHM C[C@@H](C#N)C(=O)N(C)CCOCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573560624 946954076 /nfs/dbraw/zinc/95/40/76/946954076.db2.gz DTSGPDIKBDYANM-JTQLQIEISA-N -1 3 378.824 0.962 20 30 GCEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001573293472 946958678 /nfs/dbraw/zinc/95/86/78/946958678.db2.gz XKGBRPSEVLEOGT-FZMZJTMJSA-N -1 3 387.444 0.489 20 30 GCEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001573293472 946958684 /nfs/dbraw/zinc/95/86/84/946958684.db2.gz XKGBRPSEVLEOGT-FZMZJTMJSA-N -1 3 387.444 0.489 20 30 GCEDHM C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573561389 946961746 /nfs/dbraw/zinc/96/17/46/946961746.db2.gz KAINTHUTJXRVMH-MWLCHTKSSA-N -1 3 378.824 0.330 20 30 GCEDHM C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573561389 946961754 /nfs/dbraw/zinc/96/17/54/946961754.db2.gz KAINTHUTJXRVMH-MWLCHTKSSA-N -1 3 378.824 0.330 20 30 GCEDHM C=C(C)CCC(=O)N[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2OC)C[C@H]1O ZINC001573293731 946965669 /nfs/dbraw/zinc/96/56/69/946965669.db2.gz ICPPLYVZQKHLLN-HZPDHXFCSA-N -1 3 386.456 0.893 20 30 GCEDHM C=C(C)CN1CC2(C1)C[C@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)c1nccn12 ZINC001573294102 946978344 /nfs/dbraw/zinc/97/83/44/946978344.db2.gz UMVLBGYVIUXOPZ-AWEZNQCLSA-N -1 3 379.428 0.853 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC(N(CCO)c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573565157 947001246 /nfs/dbraw/zinc/00/12/46/947001246.db2.gz NRYHAAWMFWSVAP-NSHDSACASA-N -1 3 388.407 0.350 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC(N(CCO)c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573565157 947001260 /nfs/dbraw/zinc/00/12/60/947001260.db2.gz NRYHAAWMFWSVAP-NSHDSACASA-N -1 3 388.407 0.350 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573294903 947003339 /nfs/dbraw/zinc/00/33/39/947003339.db2.gz MCZUQHMIADCUQW-XUJVJEKNSA-N -1 3 387.444 0.753 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573294903 947003356 /nfs/dbraw/zinc/00/33/56/947003356.db2.gz MCZUQHMIADCUQW-XUJVJEKNSA-N -1 3 387.444 0.753 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573295162 947009088 /nfs/dbraw/zinc/00/90/88/947009088.db2.gz OKTNEWDOLSLCPK-RFUYNDQBSA-N -1 3 399.455 0.897 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573295162 947009100 /nfs/dbraw/zinc/00/91/00/947009100.db2.gz OKTNEWDOLSLCPK-RFUYNDQBSA-N -1 3 399.455 0.897 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001573295431 947017720 /nfs/dbraw/zinc/01/77/20/947017720.db2.gz QYNIZPHPOQLJBM-VYDXJSESSA-N -1 3 399.455 0.564 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001573295431 947017729 /nfs/dbraw/zinc/01/77/29/947017729.db2.gz QYNIZPHPOQLJBM-VYDXJSESSA-N -1 3 399.455 0.564 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573565990 947018449 /nfs/dbraw/zinc/01/84/49/947018449.db2.gz YSTPNIOKQPWBTR-GXSJLCMTSA-N -1 3 392.370 0.568 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573295473 947020429 /nfs/dbraw/zinc/02/04/29/947020429.db2.gz SAYPGMISWWTNKP-YDHLFZDLSA-N -1 3 385.428 0.507 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573295473 947020442 /nfs/dbraw/zinc/02/04/42/947020442.db2.gz SAYPGMISWWTNKP-YDHLFZDLSA-N -1 3 385.428 0.507 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC[C@@]2(CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573566382 947024986 /nfs/dbraw/zinc/02/49/86/947024986.db2.gz CBOIXASVSMMDPK-KZULUSFZSA-N -1 3 382.428 0.809 20 30 GCEDHM C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2OC)C1 ZINC001573295614 947026917 /nfs/dbraw/zinc/02/69/17/947026917.db2.gz GPOVQXFHGWVGOY-ZIAGYGMSSA-N -1 3 385.428 0.507 20 30 GCEDHM C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2OC)C1 ZINC001573295614 947026929 /nfs/dbraw/zinc/02/69/29/947026929.db2.gz GPOVQXFHGWVGOY-ZIAGYGMSSA-N -1 3 385.428 0.507 20 30 GCEDHM C=C(Cl)C(C)(C)C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573295855 947028225 /nfs/dbraw/zinc/02/82/25/947028225.db2.gz VBYPVMSYNAPKQG-SNVBAGLBSA-N -1 3 381.824 0.180 20 30 GCEDHM C=C(Cl)C(C)(C)C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573295855 947028232 /nfs/dbraw/zinc/02/82/32/947028232.db2.gz VBYPVMSYNAPKQG-SNVBAGLBSA-N -1 3 381.824 0.180 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC2(CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001573567197 947037088 /nfs/dbraw/zinc/03/70/88/947037088.db2.gz JYOUDEJGYAQGOG-LBPRGKRZSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CN(Cc1ccc(-c3nnn[n-]3)s1)CCO2 ZINC001573567272 947040915 /nfs/dbraw/zinc/04/09/15/947040915.db2.gz KZGQPCZRZLVRTO-PXAZEXFGSA-N -1 3 387.469 0.891 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CN(Cc1ccc(-c3nn[n-]n3)s1)CCO2 ZINC001573567272 947040927 /nfs/dbraw/zinc/04/09/27/947040927.db2.gz KZGQPCZRZLVRTO-PXAZEXFGSA-N -1 3 387.469 0.891 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@@]2(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCC[C@@H]12 ZINC001573569792 947076489 /nfs/dbraw/zinc/07/64/89/947076489.db2.gz FLRVPMLWOFHSOL-YRILPIOLSA-N -1 3 382.428 0.855 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@@]2(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCC[C@@H]12 ZINC001573569792 947076501 /nfs/dbraw/zinc/07/65/01/947076501.db2.gz FLRVPMLWOFHSOL-YRILPIOLSA-N -1 3 382.428 0.855 20 30 GCEDHM C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573570353 947085874 /nfs/dbraw/zinc/08/58/74/947085874.db2.gz MXSUCZFUCXQLPH-FNFWKMNBSA-N -1 3 382.428 0.713 20 30 GCEDHM C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573570353 947085887 /nfs/dbraw/zinc/08/58/87/947085887.db2.gz MXSUCZFUCXQLPH-FNFWKMNBSA-N -1 3 382.428 0.713 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CCCNc1ncccc1-c1nnn[n-]1 ZINC001573299198 947087632 /nfs/dbraw/zinc/08/76/32/947087632.db2.gz INEQCNNCHJEXEJ-OAHLLOKOSA-N -1 3 386.460 0.993 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CCCNc1ncccc1-c1nn[n-]n1 ZINC001573299198 947087641 /nfs/dbraw/zinc/08/76/41/947087641.db2.gz INEQCNNCHJEXEJ-OAHLLOKOSA-N -1 3 386.460 0.993 20 30 GCEDHM C[C@@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573570576 947091840 /nfs/dbraw/zinc/09/18/40/947091840.db2.gz QWZPNLSUPNSFNQ-TUKIKUTGSA-N -1 3 392.427 0.561 20 30 GCEDHM C[C@@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573570576 947091851 /nfs/dbraw/zinc/09/18/51/947091851.db2.gz QWZPNLSUPNSFNQ-TUKIKUTGSA-N -1 3 392.427 0.561 20 30 GCEDHM C=CC(C)(C)C(=O)N1CCC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573299570 947095521 /nfs/dbraw/zinc/09/55/21/947095521.db2.gz FSTMFIJKMOOUNO-UHFFFAOYSA-N -1 3 387.444 0.490 20 30 GCEDHM C=CC(C)(C)C(=O)N1CCC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573299570 947095527 /nfs/dbraw/zinc/09/55/27/947095527.db2.gz FSTMFIJKMOOUNO-UHFFFAOYSA-N -1 3 387.444 0.490 20 30 GCEDHM C=CC(C)(C)C(=O)N1CCN(CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573300145 947106831 /nfs/dbraw/zinc/10/68/31/947106831.db2.gz IUAASSDCJBRGOU-UHFFFAOYSA-N -1 3 386.460 0.281 20 30 GCEDHM C=CC(C)(C)C(=O)N1CCN(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573300145 947106838 /nfs/dbraw/zinc/10/68/38/947106838.db2.gz IUAASSDCJBRGOU-UHFFFAOYSA-N -1 3 386.460 0.281 20 30 GCEDHM C[C@@H](C#N)C(=O)NC1(C2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CC1 ZINC001573572754 947114479 /nfs/dbraw/zinc/11/44/79/947114479.db2.gz JZYDXKWNXUIFFP-NSHDSACASA-N -1 3 382.428 0.855 20 30 GCEDHM C[C@@H](C#N)C(=O)NC1(C2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CC1 ZINC001573572754 947114490 /nfs/dbraw/zinc/11/44/90/947114490.db2.gz JZYDXKWNXUIFFP-NSHDSACASA-N -1 3 382.428 0.855 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccccc1 ZINC001573574454 947130734 /nfs/dbraw/zinc/13/07/34/947130734.db2.gz SAMUVUVMWBAERK-IAQYHMDHSA-N -1 3 378.396 0.942 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccccc1 ZINC001573574454 947130742 /nfs/dbraw/zinc/13/07/42/947130742.db2.gz SAMUVUVMWBAERK-IAQYHMDHSA-N -1 3 378.396 0.942 20 30 GCEDHM C=CC(C)(C)CC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573304673 947140726 /nfs/dbraw/zinc/14/07/26/947140726.db2.gz FGXSUNWAMDNQFX-GOSISDBHSA-N -1 3 387.444 0.490 20 30 GCEDHM C=CC(C)(C)CC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573304673 947140736 /nfs/dbraw/zinc/14/07/36/947140736.db2.gz FGXSUNWAMDNQFX-GOSISDBHSA-N -1 3 387.444 0.490 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CCO1 ZINC001573575935 947145025 /nfs/dbraw/zinc/14/50/25/947145025.db2.gz BVQWRYLVXIDMKL-XIKOKIGWSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CCO1 ZINC001573575935 947145031 /nfs/dbraw/zinc/14/50/31/947145031.db2.gz BVQWRYLVXIDMKL-XIKOKIGWSA-N -1 3 387.419 0.873 20 30 GCEDHM C=CC(C)(C)CC(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573305577 947157028 /nfs/dbraw/zinc/15/70/28/947157028.db2.gz DISQDLIUSUEBBY-GOSISDBHSA-N -1 3 387.444 0.490 20 30 GCEDHM C=CC(C)(C)CC(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573305577 947157032 /nfs/dbraw/zinc/15/70/32/947157032.db2.gz DISQDLIUSUEBBY-GOSISDBHSA-N -1 3 387.444 0.490 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@H]1CCC2(CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)O1 ZINC001573577138 947162197 /nfs/dbraw/zinc/16/21/97/947162197.db2.gz MQEZXLWILPOWJB-BBRMVZONSA-N -1 3 381.440 0.876 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@H]1COC2(CN(Cc3cc(F)ccc3-c3nn[n-]n3)C2)C1 ZINC001573578068 947180243 /nfs/dbraw/zinc/18/02/43/947180243.db2.gz XTUOXBOKGGTEGT-BXUZGUMPSA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@H]1COC2(CN(Cc3ccc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001573578054 947181045 /nfs/dbraw/zinc/18/10/45/947181045.db2.gz XQUYOUPDPJDXIL-BXUZGUMPSA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001573578054 947181053 /nfs/dbraw/zinc/18/10/53/947181053.db2.gz XQUYOUPDPJDXIL-BXUZGUMPSA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H]1CN(c2ncccc2-c2nnn[n-]2)CCC1(F)F ZINC001573582220 947188507 /nfs/dbraw/zinc/18/85/07/947188507.db2.gz CCZPJDZANZKKLT-MNOVXSKESA-N -1 3 376.371 0.999 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H]1CN(c2ncccc2-c2nn[n-]n2)CCC1(F)F ZINC001573582220 947188511 /nfs/dbraw/zinc/18/85/11/947188511.db2.gz CCZPJDZANZKKLT-MNOVXSKESA-N -1 3 376.371 0.999 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1OC ZINC001573309116 947192123 /nfs/dbraw/zinc/19/21/23/947192123.db2.gz COXJKFWLPCOBOA-PBFPGSCMSA-N -1 3 391.407 0.048 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1OC ZINC001573309116 947192132 /nfs/dbraw/zinc/19/21/32/947192132.db2.gz COXJKFWLPCOBOA-PBFPGSCMSA-N -1 3 391.407 0.048 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573309208 947194010 /nfs/dbraw/zinc/19/40/10/947194010.db2.gz FBIVWMUQSNEPND-DYVFJYSZSA-N -1 3 375.433 0.393 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573309208 947194016 /nfs/dbraw/zinc/19/40/16/947194016.db2.gz FBIVWMUQSNEPND-DYVFJYSZSA-N -1 3 375.433 0.393 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CCCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573309197 947194145 /nfs/dbraw/zinc/19/41/45/947194145.db2.gz DUPPXURMGNUMAN-SCLBCKFNSA-N -1 3 387.444 0.633 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CCCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573309197 947194149 /nfs/dbraw/zinc/19/41/49/947194149.db2.gz DUPPXURMGNUMAN-SCLBCKFNSA-N -1 3 387.444 0.633 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N(C)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573310260 947221775 /nfs/dbraw/zinc/22/17/75/947221775.db2.gz VTLVGJBRLBQDDQ-SJKOYZFVSA-N -1 3 375.408 0.765 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N(C)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573310260 947221787 /nfs/dbraw/zinc/22/17/87/947221787.db2.gz VTLVGJBRLBQDDQ-SJKOYZFVSA-N -1 3 375.408 0.765 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001573310321 947221970 /nfs/dbraw/zinc/22/19/70/947221970.db2.gz WDHPULAFMSZJSD-OMPKRAJASA-N -1 3 385.428 0.195 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001573310321 947221982 /nfs/dbraw/zinc/22/19/82/947221982.db2.gz WDHPULAFMSZJSD-OMPKRAJASA-N -1 3 385.428 0.195 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573584656 947228959 /nfs/dbraw/zinc/22/89/59/947228959.db2.gz ASHKVFBGCLBRHW-QSGSBWRWSA-N -1 3 390.407 0.866 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)CC2 ZINC001573584868 947238296 /nfs/dbraw/zinc/23/82/96/947238296.db2.gz GZFUNPKNAHXXGQ-UCMVZMLTSA-N -1 3 382.428 0.855 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CC2 ZINC001573584868 947238310 /nfs/dbraw/zinc/23/83/10/947238310.db2.gz GZFUNPKNAHXXGQ-UCMVZMLTSA-N -1 3 382.428 0.855 20 30 GCEDHM C[C@H](C#N)C(=O)NCc1ccc(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC001573585057 947243872 /nfs/dbraw/zinc/24/38/72/947243872.db2.gz JZRCCOOGRRQORW-GFCCVEGCSA-N -1 3 392.423 0.943 20 30 GCEDHM C[C@@H](C#N)C(=O)NCc1cn(C2CN(Cc3ccccc3-c3nn[n-]n3)C2)nn1 ZINC001573585087 947244056 /nfs/dbraw/zinc/24/40/56/947244056.db2.gz KFUUTTABQHGUEF-LBPRGKRZSA-N -1 3 392.427 0.291 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573585487 947258962 /nfs/dbraw/zinc/25/89/62/947258962.db2.gz QESAWLLPXZMQHC-DRZCJDIDSA-N -1 3 390.407 0.866 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573585487 947258974 /nfs/dbraw/zinc/25/89/74/947258974.db2.gz QESAWLLPXZMQHC-DRZCJDIDSA-N -1 3 390.407 0.866 20 30 GCEDHM C=C[C@@H](CC)CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1OC ZINC001573316667 947281228 /nfs/dbraw/zinc/28/12/28/947281228.db2.gz XZICAGHDMJHOHT-NILFDRSVSA-N -1 3 387.444 0.753 20 30 GCEDHM C=C[C@@H](CC)CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1OC ZINC001573316667 947281241 /nfs/dbraw/zinc/28/12/41/947281241.db2.gz XZICAGHDMJHOHT-NILFDRSVSA-N -1 3 387.444 0.753 20 30 GCEDHM CCS(=O)(=O)c1ccc2oc(Cn3cnc(C#N)c3-c3nnn[n-]3)nc2c1 ZINC000825668257 947281680 /nfs/dbraw/zinc/28/16/80/947281680.db2.gz CVAHASWHTVGUDX-UHFFFAOYSA-N -1 3 384.381 0.918 20 30 GCEDHM C=CCC1(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)CCC1 ZINC001573326947 947383545 /nfs/dbraw/zinc/38/35/45/947383545.db2.gz YZPFPSHPWGHDNX-KGLIPLIRSA-N -1 3 385.428 0.243 20 30 GCEDHM C=CCC1(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)CCC1 ZINC001573326947 947383557 /nfs/dbraw/zinc/38/35/57/947383557.db2.gz YZPFPSHPWGHDNX-KGLIPLIRSA-N -1 3 385.428 0.243 20 30 GCEDHM C=CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)CCO2 ZINC001573329416 947421531 /nfs/dbraw/zinc/42/15/31/947421531.db2.gz JNBWPALGVSXFFE-SFHVURJKSA-N -1 3 385.428 0.605 20 30 GCEDHM C=CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CCO2 ZINC001573329416 947421540 /nfs/dbraw/zinc/42/15/40/947421540.db2.gz JNBWPALGVSXFFE-SFHVURJKSA-N -1 3 385.428 0.605 20 30 GCEDHM C=CCCCC(=O)N1CCOC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001573333916 947445313 /nfs/dbraw/zinc/44/53/13/947445313.db2.gz HUECHRWEXNFGJE-UHFFFAOYSA-N -1 3 385.428 0.605 20 30 GCEDHM C=CCCCC(=O)N1CCOC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001573333916 947445324 /nfs/dbraw/zinc/44/53/24/947445324.db2.gz HUECHRWEXNFGJE-UHFFFAOYSA-N -1 3 385.428 0.605 20 30 GCEDHM C=CCCCC(=O)N1CCO[C@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573334171 947448472 /nfs/dbraw/zinc/44/84/72/947448472.db2.gz KXUSOGUXMWTJSG-GOSISDBHSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCCCC(=O)N1CCO[C@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573334171 947448487 /nfs/dbraw/zinc/44/84/87/947448487.db2.gz KXUSOGUXMWTJSG-GOSISDBHSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCCO[C@H](C)C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001573336074 947498912 /nfs/dbraw/zinc/49/89/12/947498912.db2.gz HOGRSWSTNFYTAQ-HIFRSBDPSA-N -1 3 387.444 0.564 20 30 GCEDHM C=CCCO[C@H](C)C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001573336074 947498916 /nfs/dbraw/zinc/49/89/16/947498916.db2.gz HOGRSWSTNFYTAQ-HIFRSBDPSA-N -1 3 387.444 0.564 20 30 GCEDHM C=CCCOCC(=O)N1C[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C1 ZINC001573336478 947506243 /nfs/dbraw/zinc/50/62/43/947506243.db2.gz NVXMWFWBDVKVKH-OKILXGFUSA-N -1 3 385.428 0.318 20 30 GCEDHM C=CCCOCC(=O)N1C[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C1 ZINC001573336478 947506256 /nfs/dbraw/zinc/50/62/56/947506256.db2.gz NVXMWFWBDVKVKH-OKILXGFUSA-N -1 3 385.428 0.318 20 30 GCEDHM C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C ZINC001573336712 947508006 /nfs/dbraw/zinc/50/80/06/947508006.db2.gz QKIIATPSNXFXPQ-QWHCGFSZSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001573336712 947508017 /nfs/dbraw/zinc/50/80/17/947508017.db2.gz QKIIATPSNXFXPQ-QWHCGFSZSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573337340 947516681 /nfs/dbraw/zinc/51/66/81/947516681.db2.gz WAUBYNCOTKRLAB-TZMCWYRMSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573337340 947516691 /nfs/dbraw/zinc/51/66/91/947516691.db2.gz WAUBYNCOTKRLAB-TZMCWYRMSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCN(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1Cc1nnn(C)n1 ZINC001573340956 947525610 /nfs/dbraw/zinc/52/56/10/947525610.db2.gz FKGKJNIIGXETMZ-UHFFFAOYSA-N -1 3 378.404 0.319 20 30 GCEDHM C=CCN(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1Cc1nnn(C)n1 ZINC001573340956 947525619 /nfs/dbraw/zinc/52/56/19/947525619.db2.gz FKGKJNIIGXETMZ-UHFFFAOYSA-N -1 3 378.404 0.319 20 30 GCEDHM C=CCCn1cc(C(=O)N(C)CCNc2ncc(-c3nnn[n-]3)cc2F)nn1 ZINC001573341149 947526917 /nfs/dbraw/zinc/52/69/17/947526917.db2.gz JAQKGNPZUFTYGB-UHFFFAOYSA-N -1 3 386.395 0.753 20 30 GCEDHM C=CCCn1cc(C(=O)N(C)CCNc2ncc(-c3nn[n-]n3)cc2F)nn1 ZINC001573341149 947526929 /nfs/dbraw/zinc/52/69/29/947526929.db2.gz JAQKGNPZUFTYGB-UHFFFAOYSA-N -1 3 386.395 0.753 20 30 GCEDHM C=CCCn1cc(C(=O)NCCN(C)Cc2ccc(-c3nnn[n-]3)s2)nn1 ZINC001573341157 947527366 /nfs/dbraw/zinc/52/73/66/947527366.db2.gz JDKOOZXVSOMTBP-UHFFFAOYSA-N -1 3 387.473 0.958 20 30 GCEDHM C=CCOCC(=O)NC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC001573342961 947550735 /nfs/dbraw/zinc/55/07/35/947550735.db2.gz HUWIAKVVWHURQB-DGCLKSJQSA-N -1 3 375.408 0.792 20 30 GCEDHM C=CCOCC(=O)NC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC001573342961 947550742 /nfs/dbraw/zinc/55/07/42/947550742.db2.gz HUWIAKVVWHURQB-DGCLKSJQSA-N -1 3 375.408 0.792 20 30 GCEDHM C=CCOCC(=O)N1CC[C@@]2(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCC[C@H]12 ZINC001573343073 947552026 /nfs/dbraw/zinc/55/20/26/947552026.db2.gz JACHQQZDUJQWFP-KSSFIOAISA-N -1 3 385.428 0.651 20 30 GCEDHM C=CCOCC(=O)N1CC[C@@]2(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCC[C@H]12 ZINC001573343073 947552031 /nfs/dbraw/zinc/55/20/31/947552031.db2.gz JACHQQZDUJQWFP-KSSFIOAISA-N -1 3 385.428 0.651 20 30 GCEDHM C=CCOCC(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC[C@H]21 ZINC001573343234 947555031 /nfs/dbraw/zinc/55/50/31/947555031.db2.gz LCPPQHQHCDTSRT-SWLSCSKDSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCOCC(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC[C@H]21 ZINC001573343234 947555037 /nfs/dbraw/zinc/55/50/37/947555037.db2.gz LCPPQHQHCDTSRT-SWLSCSKDSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCOCC(=O)N[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001573343405 947557220 /nfs/dbraw/zinc/55/72/20/947557220.db2.gz OUXLOHWYJLNGOE-OAHLLOKOSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCOCC(=O)N[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC001573343405 947557226 /nfs/dbraw/zinc/55/72/26/947557226.db2.gz OUXLOHWYJLNGOE-OAHLLOKOSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCOCC(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573343759 947562731 /nfs/dbraw/zinc/56/27/31/947562731.db2.gz SBJHTWYADRIPGW-RYUDHWBXSA-N -1 3 375.820 0.907 20 30 GCEDHM C=CCOCC(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573343759 947562735 /nfs/dbraw/zinc/56/27/35/947562735.db2.gz SBJHTWYADRIPGW-RYUDHWBXSA-N -1 3 375.820 0.907 20 30 GCEDHM C=CCOCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O ZINC001573344015 947566832 /nfs/dbraw/zinc/56/68/32/947566832.db2.gz WHQFNWVZRCOTMR-TZMCWYRMSA-N -1 3 376.392 0.264 20 30 GCEDHM C=CCOCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O ZINC001573344015 947566835 /nfs/dbraw/zinc/56/68/35/947566835.db2.gz WHQFNWVZRCOTMR-TZMCWYRMSA-N -1 3 376.392 0.264 20 30 GCEDHM C=CCOCC(=O)N1CCC2(C[C@@H]2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573344202 947568894 /nfs/dbraw/zinc/56/88/94/947568894.db2.gz ZCKNIKZBYOOWRY-AWEZNQCLSA-N -1 3 385.428 0.508 20 30 GCEDHM C=CCOCC(=O)N1CCC2(C[C@@H]2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573344202 947568901 /nfs/dbraw/zinc/56/89/01/947568901.db2.gz ZCKNIKZBYOOWRY-AWEZNQCLSA-N -1 3 385.428 0.508 20 30 GCEDHM C=CCOCCCC(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573347340 947571967 /nfs/dbraw/zinc/57/19/67/947571967.db2.gz CHPIUCXKRCBHGM-AWEZNQCLSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCOCCCC(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573347340 947571976 /nfs/dbraw/zinc/57/19/76/947571976.db2.gz CHPIUCXKRCBHGM-AWEZNQCLSA-N -1 3 387.444 0.898 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1 ZINC001573350247 947591826 /nfs/dbraw/zinc/59/18/26/947591826.db2.gz ANTNGQNTVFDYTM-OCCSQVGLSA-N -1 3 385.428 0.555 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1 ZINC001573350247 947591835 /nfs/dbraw/zinc/59/18/35/947591835.db2.gz ANTNGQNTVFDYTM-OCCSQVGLSA-N -1 3 385.428 0.555 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001573350645 947601137 /nfs/dbraw/zinc/60/11/37/947601137.db2.gz HZURIAZMOCPWSM-QXSJWSMHSA-N -1 3 381.440 0.747 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001573350645 947601145 /nfs/dbraw/zinc/60/11/45/947601145.db2.gz HZURIAZMOCPWSM-QXSJWSMHSA-N -1 3 381.440 0.747 20 30 GCEDHM C=CCn1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)c(C)n3)C2)nn1 ZINC001573350672 947601923 /nfs/dbraw/zinc/60/19/23/947601923.db2.gz IPFZXRXPWOLPPD-LBPRGKRZSA-N -1 3 380.416 0.674 20 30 GCEDHM C=CCn1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)c(C)n3)C2)nn1 ZINC001573350672 947601932 /nfs/dbraw/zinc/60/19/32/947601932.db2.gz IPFZXRXPWOLPPD-LBPRGKRZSA-N -1 3 380.416 0.674 20 30 GCEDHM C=CCn1cc(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C2)nn1 ZINC001573351226 947609744 /nfs/dbraw/zinc/60/97/44/947609744.db2.gz OPCITXYDNLPGHH-LLVKDONJSA-N -1 3 385.457 0.710 20 30 GCEDHM C=CCn1cc(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[n-]n4)s3)C2)nn1 ZINC001573351226 947609757 /nfs/dbraw/zinc/60/97/57/947609757.db2.gz OPCITXYDNLPGHH-LLVKDONJSA-N -1 3 385.457 0.710 20 30 GCEDHM C=CCn1cc(C(=O)N[C@H]2C[C@@H](Nc3snc(C)c3-c3nnn[n-]3)C2)nn1 ZINC001573351174 947611320 /nfs/dbraw/zinc/61/13/20/947611320.db2.gz NMEWREHZGRQGGR-AOOOYVTPSA-N -1 3 386.445 0.782 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573351590 947617220 /nfs/dbraw/zinc/61/72/20/947617220.db2.gz TTYBIIQZOVAHTN-LZWOXQAQSA-N -1 3 385.428 0.492 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573351590 947617229 /nfs/dbraw/zinc/61/72/29/947617229.db2.gz TTYBIIQZOVAHTN-LZWOXQAQSA-N -1 3 385.428 0.492 20 30 GCEDHM C=CCn1cc(C(=O)N2CCN(c3snc(C)c3-c3nnn[n-]3)CC2)nn1 ZINC001573352023 947622777 /nfs/dbraw/zinc/62/27/77/947622777.db2.gz YNDCFJCJJQXCFI-UHFFFAOYSA-N -1 3 386.445 0.372 20 30 GCEDHM CC#CCN1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)c1nccn12 ZINC001573358327 947661813 /nfs/dbraw/zinc/66/18/13/947661813.db2.gz IHVBOXNMAUWXLZ-CQSZACIVSA-N -1 3 377.412 0.300 20 30 GCEDHM CC#CCN1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)c1nccn12 ZINC001573358327 947661821 /nfs/dbraw/zinc/66/18/21/947661821.db2.gz IHVBOXNMAUWXLZ-CQSZACIVSA-N -1 3 377.412 0.300 20 30 GCEDHM C[C@@H](C(=O)N1CCO[C@H](c2ccc(-c3nnn[n-]3)cc2)C1)n1cnc(C#N)n1 ZINC001573644167 947869209 /nfs/dbraw/zinc/86/92/09/947869209.db2.gz ZFQREBLXWWBZAL-FZMZJTMJSA-N -1 3 379.384 0.491 20 30 GCEDHM C[C@@H](C(=O)N1CCO[C@H](c2ccc(-c3nn[n-]n3)cc2)C1)n1cnc(C#N)n1 ZINC001573644167 947869220 /nfs/dbraw/zinc/86/92/20/947869220.db2.gz ZFQREBLXWWBZAL-FZMZJTMJSA-N -1 3 379.384 0.491 20 30 GCEDHM Cc1onc(CC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1C#N ZINC000826344490 948008882 /nfs/dbraw/zinc/00/88/82/948008882.db2.gz JTGFMBZABAAXOW-UHFFFAOYSA-N -1 3 379.384 0.321 20 30 GCEDHM Cc1onc(CC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1C#N ZINC000826344490 948008885 /nfs/dbraw/zinc/00/88/85/948008885.db2.gz JTGFMBZABAAXOW-UHFFFAOYSA-N -1 3 379.384 0.321 20 30 GCEDHM N#CC1(COC(=O)CC[C@H]2NC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000826380015 948175680 /nfs/dbraw/zinc/17/56/80/948175680.db2.gz KGKFLWLDKVIEOF-CYBMUJFWSA-N -1 3 395.379 0.919 20 30 GCEDHM N#CC1(COC(=O)CC[C@H]2NC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000826380015 948175688 /nfs/dbraw/zinc/17/56/88/948175688.db2.gz KGKFLWLDKVIEOF-CYBMUJFWSA-N -1 3 395.379 0.919 20 30 GCEDHM N#Cc1ccc([C@@H](O)C(=O)OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826384573 948185324 /nfs/dbraw/zinc/18/53/24/948185324.db2.gz AVEWGXFRCLADDK-MRXNPFEDSA-N -1 3 378.348 0.954 20 30 GCEDHM N#Cc1ccc([C@@H](O)C(=O)OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826384573 948185329 /nfs/dbraw/zinc/18/53/29/948185329.db2.gz AVEWGXFRCLADDK-MRXNPFEDSA-N -1 3 378.348 0.954 20 30 GCEDHM C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2ncc(-c3nnn[n-]3)cn2)C1=O ZINC001575856569 949248413 /nfs/dbraw/zinc/24/84/13/949248413.db2.gz HDJQDIFYKKVSBY-QGZVFWFLSA-N -1 3 375.352 0.496 20 30 GCEDHM C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2ncc(-c3nn[n-]n3)cn2)C1=O ZINC001575856569 949248434 /nfs/dbraw/zinc/24/84/34/949248434.db2.gz HDJQDIFYKKVSBY-QGZVFWFLSA-N -1 3 375.352 0.496 20 30 GCEDHM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC001573794194 949310536 /nfs/dbraw/zinc/31/05/36/949310536.db2.gz CPOBKSWGJWPQSV-CQSZACIVSA-N -1 3 383.412 0.950 20 30 GCEDHM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC001573794194 949310554 /nfs/dbraw/zinc/31/05/54/949310554.db2.gz CPOBKSWGJWPQSV-CQSZACIVSA-N -1 3 383.412 0.950 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1c1cncc(C#N)n1 ZINC001575883236 949811398 /nfs/dbraw/zinc/81/13/98/949811398.db2.gz DNWXQUYPGSAWLR-GXFFZTMASA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1c1cncc(C#N)n1 ZINC001575883236 949811413 /nfs/dbraw/zinc/81/14/13/949811413.db2.gz DNWXQUYPGSAWLR-GXFFZTMASA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1c1ccc(C#N)nn1 ZINC001575884556 949849538 /nfs/dbraw/zinc/84/95/38/949849538.db2.gz UVASXTBVOXWOKO-GWCFXTLKSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1c1ccc(C#N)nn1 ZINC001575884556 949849560 /nfs/dbraw/zinc/84/95/60/949849560.db2.gz UVASXTBVOXWOKO-GWCFXTLKSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575885054 949857483 /nfs/dbraw/zinc/85/74/83/949857483.db2.gz KFRAOKAWNXAYHG-CABZTGNLSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575885054 949857505 /nfs/dbraw/zinc/85/75/05/949857505.db2.gz KFRAOKAWNXAYHG-CABZTGNLSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1c1nccnc1C#N ZINC001575890175 949948642 /nfs/dbraw/zinc/94/86/42/949948642.db2.gz VWSYBKRKELKFCW-CMPLNLGQSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1c1nccnc1C#N ZINC001575890175 949948655 /nfs/dbraw/zinc/94/86/55/949948655.db2.gz VWSYBKRKELKFCW-CMPLNLGQSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575891155 949989433 /nfs/dbraw/zinc/98/94/33/949989433.db2.gz FSSYZHVRFNSGMT-MWLCHTKSSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575891155 949989454 /nfs/dbraw/zinc/98/94/54/949989454.db2.gz FSSYZHVRFNSGMT-MWLCHTKSSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575891156 949990394 /nfs/dbraw/zinc/99/03/94/949990394.db2.gz FSSYZHVRFNSGMT-ONGXEEELSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575891156 949990407 /nfs/dbraw/zinc/99/04/07/949990407.db2.gz FSSYZHVRFNSGMT-ONGXEEELSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575891695 950022869 /nfs/dbraw/zinc/02/28/69/950022869.db2.gz MTAXZLDZSVGORW-KOLCDFICSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575891695 950022892 /nfs/dbraw/zinc/02/28/92/950022892.db2.gz MTAXZLDZSVGORW-KOLCDFICSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575891766 950025893 /nfs/dbraw/zinc/02/58/93/950025893.db2.gz NJDBKVADPRCTFJ-CABZTGNLSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575891766 950025916 /nfs/dbraw/zinc/02/59/16/950025916.db2.gz NJDBKVADPRCTFJ-CABZTGNLSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575891768 950027251 /nfs/dbraw/zinc/02/72/51/950027251.db2.gz NJDBKVADPRCTFJ-SKDRFNHKSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575891768 950027272 /nfs/dbraw/zinc/02/72/72/950027272.db2.gz NJDBKVADPRCTFJ-SKDRFNHKSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1CNc1ccnc(C#N)n1 ZINC001576190999 950181191 /nfs/dbraw/zinc/18/11/91/950181191.db2.gz FSRYVIVLGKWLDL-AAEUAGOBSA-N -1 3 392.427 0.489 20 30 GCEDHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1CNc1ccnc(C#N)n1 ZINC001576190999 950181201 /nfs/dbraw/zinc/18/12/01/950181201.db2.gz FSRYVIVLGKWLDL-AAEUAGOBSA-N -1 3 392.427 0.489 20 30 GCEDHM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001576191236 950193139 /nfs/dbraw/zinc/19/31/39/950193139.db2.gz HFIRXBFYEQZENC-NWDGAFQWSA-N -1 3 392.427 0.489 20 30 GCEDHM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001576191236 950193150 /nfs/dbraw/zinc/19/31/50/950193150.db2.gz HFIRXBFYEQZENC-NWDGAFQWSA-N -1 3 392.427 0.489 20 30 GCEDHM C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576218324 950787517 /nfs/dbraw/zinc/78/75/17/950787517.db2.gz QSJOFRXXXKBDOM-GXTWGEPZSA-N -1 3 381.440 0.823 20 30 GCEDHM C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576218324 950787538 /nfs/dbraw/zinc/78/75/38/950787538.db2.gz QSJOFRXXXKBDOM-GXTWGEPZSA-N -1 3 381.440 0.823 20 30 GCEDHM C[C@H](C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574527763 950906464 /nfs/dbraw/zinc/90/64/64/950906464.db2.gz GTYKEEFKDWAYJK-ZJUUUORDSA-N -1 3 381.400 0.721 20 30 GCEDHM C[C@H](C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574527763 950906480 /nfs/dbraw/zinc/90/64/80/950906480.db2.gz GTYKEEFKDWAYJK-ZJUUUORDSA-N -1 3 381.400 0.721 20 30 GCEDHM C[C@@](CNc1ccc(C#N)nn1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575136921 952130804 /nfs/dbraw/zinc/13/08/04/952130804.db2.gz RVVVJEAUMGNEQL-KRWDZBQOSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@@](CNc1ccc(C#N)nn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575136921 952130810 /nfs/dbraw/zinc/13/08/10/952130810.db2.gz RVVVJEAUMGNEQL-KRWDZBQOSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@](CNc1ccnc(C#N)n1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575145042 952177036 /nfs/dbraw/zinc/17/70/36/952177036.db2.gz OQDOMUMLHOLNTG-QGZVFWFLSA-N -1 3 378.400 0.289 20 30 GCEDHM C[C@](CNc1ccnc(C#N)n1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575145042 952177042 /nfs/dbraw/zinc/17/70/42/952177042.db2.gz OQDOMUMLHOLNTG-QGZVFWFLSA-N -1 3 378.400 0.289 20 30 GCEDHM C[C@](CNc1nccnc1C#N)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575178770 952407872 /nfs/dbraw/zinc/40/78/72/952407872.db2.gz MTHYJILCEMPJRF-QGZVFWFLSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@](CNc1nccnc1C#N)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575178770 952407875 /nfs/dbraw/zinc/40/78/75/952407875.db2.gz MTHYJILCEMPJRF-QGZVFWFLSA-N -1 3 378.400 0.867 20 30 GCEDHM Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)ccc1C#N ZINC001571115660 952469332 /nfs/dbraw/zinc/46/93/32/952469332.db2.gz ZAAXYUDIFYLHPT-VIKVFOODSA-N -1 3 375.396 0.635 20 30 GCEDHM Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)ccc1C#N ZINC001571115660 952469337 /nfs/dbraw/zinc/46/93/37/952469337.db2.gz ZAAXYUDIFYLHPT-VIKVFOODSA-N -1 3 375.396 0.635 20 30 GCEDHM N#Cc1ccc(NC[C@@H]2CCC[C@@H]2NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nn1 ZINC001571135671 952607045 /nfs/dbraw/zinc/60/70/45/952607045.db2.gz ATWSVZYYAAEFRY-GWCFXTLKSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1ccc(NC[C@@H]2CCC[C@@H]2NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nn1 ZINC001571135671 952607048 /nfs/dbraw/zinc/60/70/48/952607048.db2.gz ATWSVZYYAAEFRY-GWCFXTLKSA-N -1 3 378.400 0.867 20 30 GCEDHM CC[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1c1cncc(C#N)n1 ZINC001571135744 952607961 /nfs/dbraw/zinc/60/79/61/952607961.db2.gz CNCLVFNLRHBGLE-GXTWGEPZSA-N -1 3 378.400 0.644 20 30 GCEDHM CC[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1c1cncc(C#N)n1 ZINC001571135744 952607962 /nfs/dbraw/zinc/60/79/62/952607962.db2.gz CNCLVFNLRHBGLE-GXTWGEPZSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1CNc1ccnc(C#N)n1 ZINC001571135818 952609222 /nfs/dbraw/zinc/60/92/22/952609222.db2.gz FHDCXEDZXZQPSB-PWSUYJOCSA-N -1 3 378.400 0.099 20 30 GCEDHM C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1CNc1ccnc(C#N)n1 ZINC001571135818 952609225 /nfs/dbraw/zinc/60/92/25/952609225.db2.gz FHDCXEDZXZQPSB-PWSUYJOCSA-N -1 3 378.400 0.099 20 30 GCEDHM CN(C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccc(C#N)nn1 ZINC001571135885 952610150 /nfs/dbraw/zinc/61/01/50/952610150.db2.gz GZRJKQCKDAMIBB-LLVKDONJSA-N -1 3 378.400 0.455 20 30 GCEDHM CN(C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccc(C#N)nn1 ZINC001571135885 952610152 /nfs/dbraw/zinc/61/01/52/952610152.db2.gz GZRJKQCKDAMIBB-LLVKDONJSA-N -1 3 378.400 0.455 20 30 GCEDHM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1CNc1ccc(C#N)nn1 ZINC001571136091 952611810 /nfs/dbraw/zinc/61/18/10/952611810.db2.gz MHWUYVYXMAYAAG-MNOVXSKESA-N -1 3 378.400 0.677 20 30 GCEDHM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1CNc1ccc(C#N)nn1 ZINC001571136091 952611813 /nfs/dbraw/zinc/61/18/13/952611813.db2.gz MHWUYVYXMAYAAG-MNOVXSKESA-N -1 3 378.400 0.677 20 30 GCEDHM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1CNc1ccc(C#N)nn1 ZINC001571136093 952611925 /nfs/dbraw/zinc/61/19/25/952611925.db2.gz MHWUYVYXMAYAAG-QWRGUYRKSA-N -1 3 378.400 0.677 20 30 GCEDHM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1CNc1ccc(C#N)nn1 ZINC001571136093 952611933 /nfs/dbraw/zinc/61/19/33/952611933.db2.gz MHWUYVYXMAYAAG-QWRGUYRKSA-N -1 3 378.400 0.677 20 30 GCEDHM CN(C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cncc(C#N)n1 ZINC001571136046 952612380 /nfs/dbraw/zinc/61/23/80/952612380.db2.gz LDSHJQDQMQHXEV-NSHDSACASA-N -1 3 378.400 0.455 20 30 GCEDHM CN(C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cncc(C#N)n1 ZINC001571136046 952612382 /nfs/dbraw/zinc/61/23/82/952612382.db2.gz LDSHJQDQMQHXEV-NSHDSACASA-N -1 3 378.400 0.455 20 30 GCEDHM C[C@H](Nc1cnc(C#N)cn1)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571136368 952613138 /nfs/dbraw/zinc/61/31/38/952613138.db2.gz OSSRUHIJHJAKDV-WDEREUQCSA-N -1 3 378.400 0.819 20 30 GCEDHM C[C@H](Nc1cnc(C#N)cn1)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571136368 952613142 /nfs/dbraw/zinc/61/31/42/952613142.db2.gz OSSRUHIJHJAKDV-WDEREUQCSA-N -1 3 378.400 0.819 20 30 GCEDHM N#Cc1cnc(NC[C@@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001571136825 952616825 /nfs/dbraw/zinc/61/68/25/952616825.db2.gz XFYVESGVCBJPKI-LBPRGKRZSA-N -1 3 378.400 0.963 20 30 GCEDHM N#Cc1cnc(NC[C@@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001571136825 952616828 /nfs/dbraw/zinc/61/68/28/952616828.db2.gz XFYVESGVCBJPKI-LBPRGKRZSA-N -1 3 378.400 0.963 20 30 GCEDHM N#Cc1cncc(N2CCCC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001571136827 952616994 /nfs/dbraw/zinc/61/69/94/952616994.db2.gz XGWZQNGNWHVDDN-ZDUSSCGKSA-N -1 3 378.400 0.645 20 30 GCEDHM N#Cc1cncc(N2CCCC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001571136827 952616997 /nfs/dbraw/zinc/61/69/97/952616997.db2.gz XGWZQNGNWHVDDN-ZDUSSCGKSA-N -1 3 378.400 0.645 20 30 GCEDHM N#Cc1nccc(N[C@@H]2CC[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571137003 952618079 /nfs/dbraw/zinc/61/80/79/952618079.db2.gz ZIVSXAILOYERDR-WDEREUQCSA-N -1 3 378.400 0.289 20 30 GCEDHM N#Cc1nccc(N[C@@H]2CC[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571137003 952618082 /nfs/dbraw/zinc/61/80/82/952618082.db2.gz ZIVSXAILOYERDR-WDEREUQCSA-N -1 3 378.400 0.289 20 30 GCEDHM N#Cc1c(-c2nnn[n-]2)c2c(nc1N1C[C@@H](CO)[C@H](CO)C1)CCCCCC2 ZINC001571233366 953192532 /nfs/dbraw/zinc/19/25/32/953192532.db2.gz SYFGQDYFWDJVHT-STQMWFEESA-N -1 3 383.456 0.829 20 30 GCEDHM N#Cc1c(-c2nn[n-]n2)c2c(nc1N1C[C@@H](CO)[C@H](CO)C1)CCCCCC2 ZINC001571233366 953192533 /nfs/dbraw/zinc/19/25/33/953192533.db2.gz SYFGQDYFWDJVHT-STQMWFEESA-N -1 3 383.456 0.829 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)C[C@H]2O)c1 ZINC001571242167 953253737 /nfs/dbraw/zinc/25/37/37/953253737.db2.gz WEOJSNYLUCOEHY-CHWSQXEVSA-N -1 3 384.425 0.103 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)C[C@H]2O)c1 ZINC001571242167 953253738 /nfs/dbraw/zinc/25/37/38/953253738.db2.gz WEOJSNYLUCOEHY-CHWSQXEVSA-N -1 3 384.425 0.103 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCOC2(CN(Cc3ccc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001571255837 953356174 /nfs/dbraw/zinc/35/61/74/953356174.db2.gz UYWHKYNGKIMQLZ-LBPRGKRZSA-N -1 3 385.403 0.579 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCOC2(CN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571255837 953356185 /nfs/dbraw/zinc/35/61/85/953356185.db2.gz UYWHKYNGKIMQLZ-LBPRGKRZSA-N -1 3 385.403 0.579 20 30 GCEDHM C=CCN1CCC(NC(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)OC)C3)C2)CC1 ZINC001333072893 957772530 /nfs/dbraw/zinc/77/25/30/957772530.db2.gz HVPUYCXRQONGKI-BTUGKURYSA-N -1 3 379.457 0.932 20 30 GCEDHM C=CCN1CCC(NC(=O)N2C[C@H](C(=O)[O-])C3(CC(C(=O)OC)C3)C2)CC1 ZINC001333072894 957772625 /nfs/dbraw/zinc/77/26/25/957772625.db2.gz HVPUYCXRQONGKI-SHBDPFAUSA-N -1 3 379.457 0.932 20 30 GCEDHM C#CCN(C(=O)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)C1CCN(C)CC1 ZINC001588458316 983483223 /nfs/dbraw/zinc/48/32/23/983483223.db2.gz MPYSABVGVPUKSX-NSHDSACASA-N -1 3 378.454 0.575 20 30 GCEDHM CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C(C)(C)C(=O)[O-])CC2)CC1 ZINC001590949109 991005345 /nfs/dbraw/zinc/00/53/45/991005345.db2.gz LIZJDQFGNKMHNG-INIZCTEOSA-N -1 3 379.505 0.160 20 30 GCEDHM CN1CCC2(CC1)CN(S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])CCO2 ZINC001598589938 993432030 /nfs/dbraw/zinc/43/20/30/993432030.db2.gz KKLWLRSWZIUZKR-UHFFFAOYSA-N -1 3 379.438 0.742 20 30 GCEDHM CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@@H](C(=O)[O-])C1 ZINC001598607327 993689981 /nfs/dbraw/zinc/68/99/81/993689981.db2.gz PBZXXMJCWGBRST-MELADBBJSA-N -1 3 395.460 0.403 20 30 GCEDHM C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N ZINC000571343726 530114840 /nfs/dbraw/zinc/11/48/40/530114840.db2.gz IUNIJSSSDRPUNU-VXGBXAGGSA-N -1 3 389.524 0.860 20 30 GCEDHM CC(C)[C@@H](CO)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N ZINC000571343661 530114883 /nfs/dbraw/zinc/11/48/83/530114883.db2.gz GZUWJPZBCGYBCW-GFCCVEGCSA-N -1 3 375.472 0.126 20 30 GCEDHM CS(=O)(=O)N1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000400184104 530207141 /nfs/dbraw/zinc/20/71/41/530207141.db2.gz BWWCIXQMTPYIEO-NSHDSACASA-N -1 3 377.875 0.914 20 30 GCEDHM CS(=O)(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000400184103 530207273 /nfs/dbraw/zinc/20/72/73/530207273.db2.gz BWWCIXQMTPYIEO-LLVKDONJSA-N -1 3 377.875 0.914 20 30 GCEDHM C[C@@H]1C[C@H](CNS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CCO1 ZINC000584123787 530204613 /nfs/dbraw/zinc/20/46/13/530204613.db2.gz IZILKYXJIUHCMM-CHWSQXEVSA-N -1 3 387.483 0.582 20 30 GCEDHM C[C@H]1C[C@H](CNS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CCO1 ZINC000584123789 530204634 /nfs/dbraw/zinc/20/46/34/530204634.db2.gz IZILKYXJIUHCMM-QWHCGFSZSA-N -1 3 387.483 0.582 20 30 GCEDHM N#CCN1CCC[C@@H](CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000530882461 530166192 /nfs/dbraw/zinc/16/61/92/530166192.db2.gz CPZGSFCLWZCGGV-JTQLQIEISA-N -1 3 384.234 0.063 20 30 GCEDHM C=CC[C@@H](CO)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC ZINC000538119575 530171400 /nfs/dbraw/zinc/17/14/00/530171400.db2.gz CGQGSTTVTJFJDD-GFCCVEGCSA-N -1 3 392.499 0.920 20 30 GCEDHM O=C(C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)NCC#CCO ZINC000298885671 530175316 /nfs/dbraw/zinc/17/53/16/530175316.db2.gz ICXNHHYUWHZQSJ-UHFFFAOYSA-N -1 3 384.763 0.749 20 30 GCEDHM CC(C)C[C@H]([N-]S(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)Nc1nccs1 ZINC000409475665 530229294 /nfs/dbraw/zinc/22/92/94/530229294.db2.gz JGOLTTJYJVXKSO-NEPJUHHUSA-N -1 3 387.487 0.555 20 30 GCEDHM CCN(CCC#N)S(=O)(=O)[N-]C1(C(=O)OC)CCC(C(=O)OC)CC1 ZINC000409498211 530229721 /nfs/dbraw/zinc/22/97/21/530229721.db2.gz HGVXPMPTXNNGIO-UHFFFAOYSA-N -1 3 375.447 0.331 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)[N-][C@H]2CCN(c3cccc(Cl)c3)C2=O)CCO1 ZINC000409507703 530229757 /nfs/dbraw/zinc/22/97/57/530229757.db2.gz BBJJXZOPWPIJLX-KBPBESRZSA-N -1 3 384.845 0.504 20 30 GCEDHM COC[C@@](C)(C#N)NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000269603071 530243421 /nfs/dbraw/zinc/24/34/21/530243421.db2.gz PIKDZVAKWNEPQP-LLVKDONJSA-N -1 3 396.288 0.834 20 30 GCEDHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H](C#N)C(C)(C)C)s1 ZINC000427491973 530276361 /nfs/dbraw/zinc/27/63/61/530276361.db2.gz CRRRLLOBPLCTCU-LBPRGKRZSA-N -1 3 386.499 0.717 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]CCN2CCN(c3ncccn3)CC2)s1 ZINC000435444990 530255923 /nfs/dbraw/zinc/25/59/23/530255923.db2.gz UGAZMGDBLHHSOG-UHFFFAOYSA-N -1 3 378.483 0.510 20 30 GCEDHM CC[C@@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000451735799 530256242 /nfs/dbraw/zinc/25/62/42/530256242.db2.gz DWZJBYGCJHOJSS-VIFPVBQESA-N -1 3 376.416 0.073 20 30 GCEDHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN(CC#N)CC2)cc1F ZINC000271226079 530269899 /nfs/dbraw/zinc/26/98/99/530269899.db2.gz RFOQBZDQYRSRTJ-UHFFFAOYSA-N -1 3 390.462 0.417 20 30 GCEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCS(=O)(=O)C1 ZINC000574300305 530369271 /nfs/dbraw/zinc/36/92/71/530369271.db2.gz YLPYQHGOFFQRBX-SNVBAGLBSA-N -1 3 379.257 0.786 20 30 GCEDHM COCC1(NS(=O)(=O)c2ccccc2S(=O)(=O)[N-][C@@H](C)C#N)CCC1 ZINC000582133174 530368702 /nfs/dbraw/zinc/36/87/02/530368702.db2.gz LRBSDRYXFHMTID-LBPRGKRZSA-N -1 3 387.483 0.724 20 30 GCEDHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC#CCO)c(Br)c1 ZINC000601456765 530390718 /nfs/dbraw/zinc/39/07/18/530390718.db2.gz WYRUFXCACDQMAU-UHFFFAOYSA-N -1 3 376.228 0.900 20 30 GCEDHM N#CC[C@@]1(O)CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2CC2)C1 ZINC000592076987 530413033 /nfs/dbraw/zinc/41/30/33/530413033.db2.gz AGFBMXPQQKGEIB-OAHLLOKOSA-N -1 3 385.467 0.166 20 30 GCEDHM N#CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)NCC2(CO)CC2)CC1 ZINC000594633969 530435713 /nfs/dbraw/zinc/43/57/13/530435713.db2.gz BFDGHENWSMZWMD-UHFFFAOYSA-N -1 3 385.467 0.072 20 30 GCEDHM C[C@H](CO)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C1(C#N)CCC1 ZINC000594634645 530436222 /nfs/dbraw/zinc/43/62/22/530436222.db2.gz XTNNPNUHFAFRCD-GFCCVEGCSA-N -1 3 387.483 0.412 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCOC[C@H]1C ZINC000594635392 530436503 /nfs/dbraw/zinc/43/65/03/530436503.db2.gz AKEXIDSHUMWGJT-QWHCGFSZSA-N -1 3 387.483 0.676 20 30 GCEDHM N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1CC(F)(F)C1 ZINC000594635167 530436566 /nfs/dbraw/zinc/43/65/66/530436566.db2.gz NEFFMZQXYUBYRO-UHFFFAOYSA-N -1 3 379.410 0.812 20 30 GCEDHM C[C@@H]1CC(NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C[C@@H](C)O1 ZINC000594635038 530436684 /nfs/dbraw/zinc/43/66/84/530436684.db2.gz IMDUFHHDPVLSPK-VXGBXAGGSA-N -1 3 387.483 0.723 20 30 GCEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H]1CO ZINC000594636482 530437115 /nfs/dbraw/zinc/43/71/15/530437115.db2.gz DAWXBHCCGJZFHM-LBPRGKRZSA-N -1 3 387.483 0.412 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCOC[C@@H]1C ZINC000594637356 530437268 /nfs/dbraw/zinc/43/72/68/530437268.db2.gz BJECZPIVQACGEO-KBPBESRZSA-N -1 3 381.520 0.285 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC[C@H](C)O ZINC000594633412 530434902 /nfs/dbraw/zinc/43/49/02/530434902.db2.gz JPXNHXBTULXKIB-NEPJUHHUSA-N -1 3 375.472 0.268 20 30 GCEDHM CC[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H](C)O ZINC000594633247 530435004 /nfs/dbraw/zinc/43/50/04/530435004.db2.gz AQTFILXJVFQUEE-NWDGAFQWSA-N -1 3 375.472 0.268 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1CCOC1 ZINC000594633312 530435073 /nfs/dbraw/zinc/43/50/73/530435073.db2.gz GJXNLHPPOLLUEN-CHWSQXEVSA-N -1 3 387.483 0.534 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CC12CCOCC2 ZINC000594633804 530435336 /nfs/dbraw/zinc/43/53/36/530435336.db2.gz JODHRJAHGFUPJS-CQSZACIVSA-N -1 3 385.467 0.336 20 30 GCEDHM C[C@@H](O)[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000595961559 530451356 /nfs/dbraw/zinc/45/13/56/530451356.db2.gz RXQPQWHLVDSOHU-UMVBOHGHSA-N -1 3 393.531 0.163 20 30 GCEDHM C=CCOCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC ZINC000679473893 530528099 /nfs/dbraw/zinc/52/80/99/530528099.db2.gz DSYGCLPNMNFAGC-UHFFFAOYSA-N -1 3 378.472 0.938 20 30 GCEDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCC(CC(=O)NC)CC2)s1 ZINC000331002976 530536137 /nfs/dbraw/zinc/53/61/37/530536137.db2.gz RKGUTTZXTDDFER-UHFFFAOYSA-N -1 3 388.515 0.918 20 30 GCEDHM CCN([C@@H](C)CO)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000567249604 530539517 /nfs/dbraw/zinc/53/95/17/530539517.db2.gz MNQPALWGNHNEKT-LBPRGKRZSA-N -1 3 389.499 0.658 20 30 GCEDHM CC#CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 ZINC000645884175 530550861 /nfs/dbraw/zinc/55/08/61/530550861.db2.gz XBAPENFFBVHKFP-LBPRGKRZSA-N -1 3 394.540 0.283 20 30 GCEDHM CC#CC[C@H](CO)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000645883959 530550922 /nfs/dbraw/zinc/55/09/22/530550922.db2.gz PMKVBNQDUADAMR-LLVKDONJSA-N -1 3 378.447 0.640 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1CCCCO1 ZINC000568255891 530556439 /nfs/dbraw/zinc/55/64/39/530556439.db2.gz LXDZEUJOQQDHGN-CYBMUJFWSA-N -1 3 387.483 0.678 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1CCCO1 ZINC000568256017 530556635 /nfs/dbraw/zinc/55/66/35/530556635.db2.gz WVAJNOYMBISMQV-QWHCGFSZSA-N -1 3 387.483 0.676 20 30 GCEDHM CC(C)[C@](C)(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000568256588 530557088 /nfs/dbraw/zinc/55/70/88/530557088.db2.gz XVVOCNVAUJNJQO-SWLSCSKDSA-N -1 3 389.499 0.562 20 30 GCEDHM N#CCC1(CS(=O)(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000451494668 530582010 /nfs/dbraw/zinc/58/20/10/530582010.db2.gz APSLMJCFWWMDFZ-UHFFFAOYSA-N -1 3 393.437 0.856 20 30 GCEDHM CC#CC[C@@H](CO)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC ZINC000645884212 530551182 /nfs/dbraw/zinc/55/11/82/530551182.db2.gz YBLMEROPYZXKMA-ZDUSSCGKSA-N -1 3 390.483 0.509 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCC(=O)C1CCCC1 ZINC000629628850 530600342 /nfs/dbraw/zinc/60/03/42/530600342.db2.gz OFMXZISWBFDKIS-UHFFFAOYSA-N -1 3 385.467 0.526 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCC1(C)COC1 ZINC000577867135 530625895 /nfs/dbraw/zinc/62/58/95/530625895.db2.gz PNKIQIKHMMZOLO-LBPRGKRZSA-N -1 3 387.483 0.582 20 30 GCEDHM CC[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-][C@@H](C)C#N)C[C@@H]1O ZINC000349450718 530635842 /nfs/dbraw/zinc/63/58/42/530635842.db2.gz MFPPGCGAWVGEPQ-XQQFMLRXSA-N -1 3 387.483 0.268 20 30 GCEDHM COC[C@@]1(C)CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C1 ZINC000349452832 530636449 /nfs/dbraw/zinc/63/64/49/530636449.db2.gz OHLMPNVQIDELRE-HNNXBMFYSA-N -1 3 387.483 0.536 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000349451291 530636672 /nfs/dbraw/zinc/63/66/72/530636672.db2.gz MUGMYCORRSHGKN-SDDRHHMPSA-N -1 3 393.437 0.948 20 30 GCEDHM CC(C)(C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(O)(CC#N)C1 ZINC000349454856 530637013 /nfs/dbraw/zinc/63/70/13/530637013.db2.gz PREHIBBZZQYRJX-UHFFFAOYSA-N -1 3 387.483 0.412 20 30 GCEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)C(C)(C)C1 ZINC000349458910 530639302 /nfs/dbraw/zinc/63/93/02/530639302.db2.gz GRYUMZZQMJXFBJ-STQMWFEESA-N -1 3 395.547 0.267 20 30 GCEDHM CN(CCC#N)C[C@H](O)CNCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000577275275 530619314 /nfs/dbraw/zinc/61/93/14/530619314.db2.gz RZAMUHCNCCGXPK-LLVKDONJSA-N -1 3 380.923 0.476 20 30 GCEDHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)OC ZINC000291958658 530620998 /nfs/dbraw/zinc/62/09/98/530620998.db2.gz PBUBZHLJKDNBDO-SNVBAGLBSA-N -1 3 377.216 0.787 20 30 GCEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)C1 ZINC000349539679 530681195 /nfs/dbraw/zinc/68/11/95/530681195.db2.gz QZDURURKDYMCQS-KBUPBQIOSA-N -1 3 393.531 0.211 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000349471532 530644579 /nfs/dbraw/zinc/64/45/79/530644579.db2.gz DRBCFAUIOCJOKC-HZSPNIEDSA-N -1 3 377.532 0.762 20 30 GCEDHM CCN(CCC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349471934 530645130 /nfs/dbraw/zinc/64/51/30/530645130.db2.gz OWJFLBIILHZCQN-UHFFFAOYSA-N -1 3 382.467 0.945 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000349474395 530645772 /nfs/dbraw/zinc/64/57/72/530645772.db2.gz UTWZRPRWPIDRDW-ZDUSSCGKSA-N -1 3 386.499 0.203 20 30 GCEDHM C[C@@H](C#N)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349473807 530645970 /nfs/dbraw/zinc/64/59/70/530645970.db2.gz SXDXJUUOFSMXOB-LBPRGKRZSA-N -1 3 382.467 0.801 20 30 GCEDHM CCN1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CC1 ZINC000349474458 530646288 /nfs/dbraw/zinc/64/62/88/530646288.db2.gz VJULIUYRSUTFMC-UHFFFAOYSA-N -1 3 386.499 0.205 20 30 GCEDHM CCN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-][C@@H](C)C#N)CC1 ZINC000349475952 530646958 /nfs/dbraw/zinc/64/69/58/530646958.db2.gz YXEZMVKJMKJHNM-ZDUSSCGKSA-N -1 3 386.499 0.203 20 30 GCEDHM CC(C)(O)[C@H]1CCCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349477242 530647726 /nfs/dbraw/zinc/64/77/26/530647726.db2.gz DYRHIKDADHEQBM-CQSZACIVSA-N -1 3 387.483 0.412 20 30 GCEDHM C[C@@H](N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N)C(C)(C)O ZINC000349478021 530647999 /nfs/dbraw/zinc/64/79/99/530647999.db2.gz GLAMVNAUZBZWQA-NWDGAFQWSA-N -1 3 389.499 0.657 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CC)C1COC1 ZINC000349480689 530649494 /nfs/dbraw/zinc/64/94/94/530649494.db2.gz LIHSBFXVLAICME-LBPRGKRZSA-N -1 3 387.483 0.676 20 30 GCEDHM CO[C@H](C)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000349481173 530650061 /nfs/dbraw/zinc/65/00/61/530650061.db2.gz MOLYAINEIUTVAV-NWDGAFQWSA-N -1 3 375.472 0.532 20 30 GCEDHM COC1(C)CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2(C#N)CC2)C1 ZINC000349482501 530650781 /nfs/dbraw/zinc/65/07/81/530650781.db2.gz SDYNZVDCEPPKHM-UHFFFAOYSA-N -1 3 385.467 0.430 20 30 GCEDHM COc1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)cc1S(N)(=O)=O ZINC000588904472 530657258 /nfs/dbraw/zinc/65/72/58/530657258.db2.gz VGHPBVGUSHBYKO-UHFFFAOYSA-N -1 3 382.423 0.088 20 30 GCEDHM C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000349496304 530657604 /nfs/dbraw/zinc/65/76/04/530657604.db2.gz GXKPWHGGHSZTOP-JSGCOSHPSA-N -1 3 395.572 0.755 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000349514638 530667960 /nfs/dbraw/zinc/66/79/60/530667960.db2.gz VMZTYQPSGACRGO-MELADBBJSA-N -1 3 397.588 1.000 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCS[C@@H](C)[C@H]1C ZINC000349514631 530668297 /nfs/dbraw/zinc/66/82/97/530668297.db2.gz VMZTYQPSGACRGO-HZSPNIEDSA-N -1 3 397.588 1.000 20 30 GCEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCOCC1 ZINC000349519520 530670547 /nfs/dbraw/zinc/67/05/47/530670547.db2.gz IHACWNUBMSKFJP-CYBMUJFWSA-N -1 3 381.520 0.286 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H](O)CC1 ZINC000349526191 530673514 /nfs/dbraw/zinc/67/35/14/530673514.db2.gz PJEWUKSPNUGSTO-UONOGXRCSA-N -1 3 381.520 0.021 20 30 GCEDHM N#C[C@@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000532792456 530673580 /nfs/dbraw/zinc/67/35/80/530673580.db2.gz DVFDFQNGSSHBBY-SECBINFHSA-N -1 3 378.863 0.614 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC(F)(F)C1 ZINC000349531513 530675467 /nfs/dbraw/zinc/67/54/67/530675467.db2.gz JWWMZVSMKPXKPF-LBPRGKRZSA-N -1 3 385.458 0.659 20 30 GCEDHM CN([C@@H]1CCSC1)S(=O)(=O)CCCS(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000349531813 530675517 /nfs/dbraw/zinc/67/55/17/530675517.db2.gz NBFSLKGUDCFYMW-OCCSQVGLSA-N -1 3 395.572 0.755 20 30 GCEDHM CN([C@@H]1CCSC1)S(=O)(=O)CCCS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000349531814 530675595 /nfs/dbraw/zinc/67/55/95/530675595.db2.gz NBFSLKGUDCFYMW-TZMCWYRMSA-N -1 3 395.572 0.755 20 30 GCEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCSCC1 ZINC000349532744 530676379 /nfs/dbraw/zinc/67/63/79/530676379.db2.gz PGABXJFNSSKTEZ-GFCCVEGCSA-N -1 3 383.561 0.613 20 30 GCEDHM N#Cc1cc(Br)cc(S(=O)(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1 ZINC000545368805 530676446 /nfs/dbraw/zinc/67/64/46/530676446.db2.gz ZIDAHHQERQURBU-LLVKDONJSA-N -1 3 399.226 0.245 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCSC1 ZINC000349547213 530685283 /nfs/dbraw/zinc/68/52/83/530685283.db2.gz CSDURRYRUJRHNS-AAEUAGOBSA-N -1 3 381.545 0.413 20 30 GCEDHM C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)CCO1 ZINC000349552739 530689144 /nfs/dbraw/zinc/68/91/44/530689144.db2.gz NPKZWZFFYKQTAQ-IPYPFGDCSA-N -1 3 393.531 0.475 20 30 GCEDHM C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)CCO1 ZINC000349552741 530689421 /nfs/dbraw/zinc/68/94/21/530689421.db2.gz NPKZWZFFYKQTAQ-NFAWXSAZSA-N -1 3 393.531 0.475 20 30 GCEDHM C[C@@H]1CSC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000349562070 530694816 /nfs/dbraw/zinc/69/48/16/530694816.db2.gz ARCVNVOUVOWILO-YRGRVCCFSA-N -1 3 395.572 0.659 20 30 GCEDHM C=CCn1c(=O)[n-]nc1SCC(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000470822684 530696947 /nfs/dbraw/zinc/69/69/47/530696947.db2.gz LOWZPOXJXJXRHE-UHFFFAOYSA-N -1 3 382.467 0.982 20 30 GCEDHM C=CCn1c(=O)[n-]nc1S[C@@H](C(=O)N[C@]1(C)CCS(=O)(=O)C1)C(C)C ZINC000470829669 530697122 /nfs/dbraw/zinc/69/71/22/530697122.db2.gz DTEBKJXOGUXHPG-IAQYHMDHSA-N -1 3 388.515 0.980 20 30 GCEDHM C=CCn1c(=O)[n-]nc1S[C@@H](C(=O)N[C@@]1(C)CCS(=O)(=O)C1)C(C)C ZINC000470829647 530697462 /nfs/dbraw/zinc/69/74/62/530697462.db2.gz DTEBKJXOGUXHPG-ABAIWWIYSA-N -1 3 388.515 0.980 20 30 GCEDHM N#C[C@H]1CC[C@@H](NS(=O)(=O)CCCCS(=O)(=O)[N-]c2cn[nH]c2)C1 ZINC000349570969 530699319 /nfs/dbraw/zinc/69/93/19/530699319.db2.gz YNTAIIXLZNUUFW-NWDGAFQWSA-N -1 3 375.476 0.543 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCOCC1 ZINC000349575583 530701500 /nfs/dbraw/zinc/70/15/00/530701500.db2.gz OJGPGPSJIMBZSN-HIFRSBDPSA-N -1 3 393.531 0.477 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1O ZINC000579006529 530737195 /nfs/dbraw/zinc/73/71/95/530737195.db2.gz NKRSVNWXLYTSFJ-YNEHKIRRSA-N -1 3 387.483 0.411 20 30 GCEDHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N)[C@H](C)O ZINC000579376257 530742141 /nfs/dbraw/zinc/74/21/41/530742141.db2.gz KJYJXGLDGVJFBT-NWDGAFQWSA-N -1 3 375.472 0.268 20 30 GCEDHM C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCCS(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000349617097 530722100 /nfs/dbraw/zinc/72/21/00/530722100.db2.gz MRQDEGYWUGUCRZ-IPYPFGDCSA-N -1 3 393.531 0.163 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCC1(O)CCCC1 ZINC000578248057 530729725 /nfs/dbraw/zinc/72/97/25/530729725.db2.gz SGSWOVRAUPWBRB-LBPRGKRZSA-N -1 3 387.483 0.460 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(OC(F)F)C1 ZINC000578765962 530735402 /nfs/dbraw/zinc/73/54/02/530735402.db2.gz UJSAANKPDIBIKU-UHFFFAOYSA-N -1 3 381.382 0.101 20 30 GCEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F)C(=O)OC ZINC000581642439 530761745 /nfs/dbraw/zinc/76/17/45/530761745.db2.gz MRBICXKZHUXYIN-LBPRGKRZSA-N -1 3 375.374 0.635 20 30 GCEDHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)CC#N)cc2)o1 ZINC000581677737 530761961 /nfs/dbraw/zinc/76/19/61/530761961.db2.gz MMNOSKQCWJPNQC-UHFFFAOYSA-N -1 3 384.439 0.606 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N ZINC000581736700 530762804 /nfs/dbraw/zinc/76/28/04/530762804.db2.gz FSHIWJDUERCWAE-OLZOCXBDSA-N -1 3 385.467 0.452 20 30 GCEDHM CO[C@@H](C)[C@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000579732974 530746371 /nfs/dbraw/zinc/74/63/71/530746371.db2.gz FMJLCZNXDAIZDZ-SRVKXCTJSA-N -1 3 375.472 0.579 20 30 GCEDHM CN(C)CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C(C)(C)C#N ZINC000579972825 530749525 /nfs/dbraw/zinc/74/95/25/530749525.db2.gz LHWGKONTYOIPNV-UHFFFAOYSA-N -1 3 388.515 0.449 20 30 GCEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(=O)OC ZINC000481582059 530779616 /nfs/dbraw/zinc/77/96/16/530779616.db2.gz YKZCZFVIJUFWEU-LLVKDONJSA-N -1 3 379.232 0.867 20 30 GCEDHM N#Cc1sccc1S(=O)(=O)[N-]CCNS(=O)(=O)Cc1ccon1 ZINC000593560221 530817727 /nfs/dbraw/zinc/81/77/27/530817727.db2.gz SNXBQMQYSQZBKH-UHFFFAOYSA-N -1 3 376.441 0.006 20 30 GCEDHM C=CCN(C(=O)CC[N-]S(=O)(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000619565338 530820107 /nfs/dbraw/zinc/82/01/07/530820107.db2.gz IIIOQLDISIPJPK-GFCCVEGCSA-N -1 3 392.524 0.618 20 30 GCEDHM CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416461529 530846570 /nfs/dbraw/zinc/84/65/70/530846570.db2.gz ZRFVSIHAJOLYSZ-CYBMUJFWSA-N -1 3 391.243 0.913 20 30 GCEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H](O)[C@H]1CCOC1 ZINC000416464598 530846798 /nfs/dbraw/zinc/84/67/98/530846798.db2.gz XKAZXPJVASOVDS-CMPLNLGQSA-N -1 3 375.244 0.996 20 30 GCEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CC[C@H](C(N)=O)O1 ZINC000416426629 530847049 /nfs/dbraw/zinc/84/70/49/530847049.db2.gz KJAQRCBRYAWUNY-WDEREUQCSA-N -1 3 388.243 0.632 20 30 GCEDHM COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)OC ZINC000416490640 530847145 /nfs/dbraw/zinc/84/71/45/530847145.db2.gz VSKNNBIHFQOCLZ-JTQLQIEISA-N -1 3 377.216 0.787 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H](O)Cn1ccnn1 ZINC000416549920 530847560 /nfs/dbraw/zinc/84/75/60/530847560.db2.gz PKCPPBAVILMTRN-SECBINFHSA-N -1 3 386.231 0.252 20 30 GCEDHM CS(=O)(=O)CC1(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCC1 ZINC000416627313 530847809 /nfs/dbraw/zinc/84/78/09/530847809.db2.gz FAJCFRBMCLYIAD-UHFFFAOYSA-N -1 3 387.439 0.960 20 30 GCEDHM CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N=C1[N-]C(=O)CN1 ZINC000050222931 530851233 /nfs/dbraw/zinc/85/12/33/530851233.db2.gz JUEYJKLYDRYIBQ-GFCCVEGCSA-N -1 3 384.483 0.837 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N)[C@H]1CCCOC1 ZINC000582796634 530852584 /nfs/dbraw/zinc/85/25/84/530852584.db2.gz HNMCMMBAPIZHDV-STQMWFEESA-N -1 3 387.483 0.582 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N)[C@@H]1CCCOC1 ZINC000582796627 530852876 /nfs/dbraw/zinc/85/28/76/530852876.db2.gz HNMCMMBAPIZHDV-CHWSQXEVSA-N -1 3 387.483 0.582 20 30 GCEDHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@](F)(C#N)C2)cn1 ZINC000348342113 530860503 /nfs/dbraw/zinc/86/05/03/530860503.db2.gz JDAXVLYMWAFILB-ZDUSSCGKSA-N -1 3 391.450 0.184 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCC(C)(C)O ZINC000583214497 530865528 /nfs/dbraw/zinc/86/55/28/530865528.db2.gz QIRXLMLOJWNLJD-LBPRGKRZSA-N -1 3 389.499 0.658 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](O)[C@@H](C)C1 ZINC000349464140 530872857 /nfs/dbraw/zinc/87/28/57/530872857.db2.gz BQIOGCKNDYUQAK-AVGNSLFASA-N -1 3 387.483 0.268 20 30 GCEDHM CC(C)NS(=O)(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000428408763 530897913 /nfs/dbraw/zinc/89/79/13/530897913.db2.gz UPHVUONYYWQDIO-UHFFFAOYSA-N -1 3 380.879 0.322 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCCS(=O)(=O)N1CC[C@H](F)C1 ZINC000349591537 530898405 /nfs/dbraw/zinc/89/84/05/530898405.db2.gz ODAAFCGDWLHHSQ-JSGCOSHPSA-N -1 3 381.495 0.752 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@]2(CCOC2)C1 ZINC000349476857 530875611 /nfs/dbraw/zinc/87/56/11/530875611.db2.gz DDXOVGCUECBFOR-OAHLLOKOSA-N -1 3 385.467 0.290 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H]([C@H](C)O)C1 ZINC000349476665 530875717 /nfs/dbraw/zinc/87/57/17/530875717.db2.gz CQKCOONYZBXGNR-RWMBFGLXSA-N -1 3 387.483 0.268 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CCO ZINC000349475901 530875763 /nfs/dbraw/zinc/87/57/63/530875763.db2.gz YQFZTFQDFYFDJB-GFCCVEGCSA-N -1 3 375.472 0.126 20 30 GCEDHM CS[C@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C1 ZINC000349480654 530877013 /nfs/dbraw/zinc/87/70/13/530877013.db2.gz LBLUBOCEHVVOQH-NSHDSACASA-N -1 3 375.497 0.614 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(C)(C#N)C1 ZINC000349481975 530877425 /nfs/dbraw/zinc/87/74/25/530877425.db2.gz PSVGIJSAZWUBBC-LBPRGKRZSA-N -1 3 382.467 0.801 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)CO ZINC000349481918 530877643 /nfs/dbraw/zinc/87/76/43/530877643.db2.gz PGDRYRJNCGHPTM-NEPJUHHUSA-N -1 3 375.472 0.268 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(C(F)(F)F)C1 ZINC000349482004 530877758 /nfs/dbraw/zinc/87/77/58/530877758.db2.gz QAQYVJMUTNWRBP-UHFFFAOYSA-N -1 3 383.373 0.671 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCOC1 ZINC000349482039 530877794 /nfs/dbraw/zinc/87/77/94/530877794.db2.gz QHDNWAYUNXTKLU-OAHLLOKOSA-N -1 3 385.467 0.636 20 30 GCEDHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@](F)(C#N)C1 ZINC000349485719 530878730 /nfs/dbraw/zinc/87/87/30/530878730.db2.gz AYNZNRXYCRINIB-LBPRGKRZSA-N -1 3 379.439 0.117 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@]2(CCOC2)C1 ZINC000349486183 530878769 /nfs/dbraw/zinc/87/87/69/530878769.db2.gz BJAOCQPOZVNUSK-HUUCEWRRSA-N -1 3 393.531 0.286 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@](F)(C#N)C1 ZINC000349486228 530878842 /nfs/dbraw/zinc/87/88/42/530878842.db2.gz BOUICGSSPKUERF-KGLIPLIRSA-N -1 3 392.478 0.256 20 30 GCEDHM C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)[C@H]1CO ZINC000349491539 530879944 /nfs/dbraw/zinc/87/99/44/530879944.db2.gz JENACJYTKBENBC-VNHYZAJKSA-N -1 3 393.531 0.021 20 30 GCEDHM C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)[C@@H]1CO ZINC000349491537 530880152 /nfs/dbraw/zinc/88/01/52/530880152.db2.gz JENACJYTKBENBC-NFAWXSAZSA-N -1 3 393.531 0.021 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000349529462 530880665 /nfs/dbraw/zinc/88/06/65/530880665.db2.gz ZUKWIYFBUBPFRG-IHRRRGAJSA-N -1 3 397.588 1.000 20 30 GCEDHM N#CC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccc2Cl)C1 ZINC000349495898 530881152 /nfs/dbraw/zinc/88/11/52/530881152.db2.gz GFYYDJKHFDCRIL-UHFFFAOYSA-N -1 3 378.863 0.652 20 30 GCEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOC2)C1 ZINC000349496167 530881821 /nfs/dbraw/zinc/88/18/21/530881821.db2.gz AKFPEZNWKVDZAM-CABCVRRESA-N -1 3 393.531 0.778 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@](F)(C#N)C1 ZINC000349502205 530882895 /nfs/dbraw/zinc/88/28/95/530882895.db2.gz RBKCSUONMABGHN-OLZOCXBDSA-N -1 3 380.467 0.111 20 30 GCEDHM Cc1cncc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@](F)(C#N)C2)c1 ZINC000349506616 530884931 /nfs/dbraw/zinc/88/49/31/530884931.db2.gz UMSDYPIVJITYKB-CQSZACIVSA-N -1 3 390.462 0.789 20 30 GCEDHM C[C@@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cncc(F)c1 ZINC000349521438 530888736 /nfs/dbraw/zinc/88/87/36/530888736.db2.gz SUPHFSZVHVAEAX-NSHDSACASA-N -1 3 378.451 0.774 20 30 GCEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)C1 ZINC000349520632 530888951 /nfs/dbraw/zinc/88/89/51/530888951.db2.gz KEBNNVCTAFTWHL-RBSFLKMASA-N -1 3 393.531 0.165 20 30 GCEDHM N#CC1([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOCC2)CCCCC1 ZINC000349524644 530889362 /nfs/dbraw/zinc/88/93/62/530889362.db2.gz QDTRHIHPANJPCO-UHFFFAOYSA-N -1 3 393.531 0.574 20 30 GCEDHM CN(C)CCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349469972 530891181 /nfs/dbraw/zinc/89/11/81/530891181.db2.gz LUEYTEGABHEINE-UHFFFAOYSA-N -1 3 386.499 0.203 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](CO)C1 ZINC000349474756 530892141 /nfs/dbraw/zinc/89/21/41/530892141.db2.gz VUYAAJBEBDAZAR-STQMWFEESA-N -1 3 387.483 0.270 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CC[C@H]1O ZINC000349474460 530892226 /nfs/dbraw/zinc/89/22/26/530892226.db2.gz VLIMTOSKQIHERD-FRRDWIJNSA-N -1 3 387.483 0.315 20 30 GCEDHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCCS(=O)(=O)N1CC[C@](F)(C#N)C1 ZINC000349629327 530913625 /nfs/dbraw/zinc/91/36/25/530913625.db2.gz XQAYFHIUYBEKON-ZDUSSCGKSA-N -1 3 393.466 0.507 20 30 GCEDHM CCn1cc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C)(C#N)C2)cn1 ZINC000349631005 530914284 /nfs/dbraw/zinc/91/42/84/530914284.db2.gz YFMBBDMTLVTIDT-UHFFFAOYSA-N -1 3 389.503 0.600 20 30 GCEDHM COC(=O)C1CCC([N-]S(=O)(=O)N(C)[C@H](C)CC#N)(C(=O)OC)CC1 ZINC000509201006 530916572 /nfs/dbraw/zinc/91/65/72/530916572.db2.gz BKTKALYYLJVXIE-XIKARTHZSA-N -1 3 375.447 0.330 20 30 GCEDHM Cn1ncc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1C#N ZINC000474405930 530926204 /nfs/dbraw/zinc/92/62/04/530926204.db2.gz FIKWUBUFTNREKW-UHFFFAOYSA-N -1 3 379.467 0.936 20 30 GCEDHM CS(=O)(=O)N[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000269827308 530943177 /nfs/dbraw/zinc/94/31/77/530943177.db2.gz OPFRLXXEDCEULM-MFKMUULPSA-N -1 3 375.447 0.694 20 30 GCEDHM C=CCNC(=O)NC(=O)CN1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000054104248 530997933 /nfs/dbraw/zinc/99/79/33/530997933.db2.gz NQNINEBOWILAOD-UHFFFAOYSA-N -1 3 386.499 0.503 20 30 GCEDHM C=CCCS(=O)(=O)[N-]c1cc(S(=O)(=O)NC)ccc1NCCOC ZINC000269300617 531005579 /nfs/dbraw/zinc/00/55/79/531005579.db2.gz QILALSSLMLWXDY-UHFFFAOYSA-N -1 3 377.488 0.971 20 30 GCEDHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CCN(CC#N)CC1 ZINC000614839243 531037456 /nfs/dbraw/zinc/03/74/56/531037456.db2.gz HSXQFLUBOYENLA-UHFFFAOYSA-N -1 3 386.499 0.203 20 30 GCEDHM CO[C@@H](C)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000514799574 531084246 /nfs/dbraw/zinc/08/42/46/531084246.db2.gz YDDHPMDABOLZRN-LBPRGKRZSA-N -1 3 389.499 0.922 20 30 GCEDHM CS(=O)(=O)[N-]c1cc(C(=O)NCC(=O)NCC#N)cc(C(F)(F)F)c1 ZINC000553309635 531151008 /nfs/dbraw/zinc/15/10/08/531151008.db2.gz WSQQWNHVMLXEJS-UHFFFAOYSA-N -1 3 378.332 0.446 20 30 GCEDHM N#CC1(CNS(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2(C#N)CC2)CC1 ZINC000565229718 531181370 /nfs/dbraw/zinc/18/13/70/531181370.db2.gz KJQKCVCFRQJFML-UHFFFAOYSA-N -1 3 380.451 0.603 20 30 GCEDHM N#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CCCC1 ZINC000565843376 531191504 /nfs/dbraw/zinc/19/15/04/531191504.db2.gz MNZBHBZNTPFPGS-UHFFFAOYSA-N -1 3 382.467 0.945 20 30 GCEDHM C[C@@H](CC#N)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000735964079 598881056 /nfs/dbraw/zinc/88/10/56/598881056.db2.gz VGEHRZLQTJHIOF-GWCFXTLKSA-N -1 3 383.368 0.917 20 30 GCEDHM C[C@@H](CC#N)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735964079 598881058 /nfs/dbraw/zinc/88/10/58/598881058.db2.gz VGEHRZLQTJHIOF-GWCFXTLKSA-N -1 3 383.368 0.917 20 30 GCEDHM C[C@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736104619 598894506 /nfs/dbraw/zinc/89/45/06/598894506.db2.gz HRZAJKNZBJRQFE-YFUPBZDXSA-N -1 3 381.396 0.960 20 30 GCEDHM C#CCNC(=O)CN1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000735381061 598895174 /nfs/dbraw/zinc/89/51/74/598895174.db2.gz KUJRBDKLKDKUFL-UHFFFAOYSA-N -1 3 384.400 0.036 20 30 GCEDHM C=CCN(CCOc1ccc(-c2nnn[n-]2)cc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000735419518 598985196 /nfs/dbraw/zinc/98/51/96/598985196.db2.gz UFIFCORGJVTNNB-AWEZNQCLSA-N -1 3 393.469 0.929 20 30 GCEDHM C=CCN(CCOc1ccc(-c2nn[n-]n2)cc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000735419518 598985198 /nfs/dbraw/zinc/98/51/98/598985198.db2.gz UFIFCORGJVTNNB-AWEZNQCLSA-N -1 3 393.469 0.929 20 30 GCEDHM C=CCN(CCOc1ccc(-c2nnn[n-]2)cc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000735419519 598985305 /nfs/dbraw/zinc/98/53/05/598985305.db2.gz UFIFCORGJVTNNB-CQSZACIVSA-N -1 3 393.469 0.929 20 30 GCEDHM C=CCN(CCOc1ccc(-c2nn[n-]n2)cc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000735419519 598985307 /nfs/dbraw/zinc/98/53/07/598985307.db2.gz UFIFCORGJVTNNB-CQSZACIVSA-N -1 3 393.469 0.929 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)CCCS(C)(=O)=O ZINC000735426163 599001211 /nfs/dbraw/zinc/00/12/11/599001211.db2.gz LKHUCTRZZPSPBD-UHFFFAOYSA-N -1 3 399.498 0.619 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)CCCS(C)(=O)=O ZINC000735426163 599001213 /nfs/dbraw/zinc/00/12/13/599001213.db2.gz LKHUCTRZZPSPBD-UHFFFAOYSA-N -1 3 399.498 0.619 20 30 GCEDHM C[C@@H](C(=O)N(C)CCC#N)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735515224 599025083 /nfs/dbraw/zinc/02/50/83/599025083.db2.gz ULPZXLKEZODPOA-HNNXBMFYSA-N -1 3 382.472 0.745 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737846060 599057280 /nfs/dbraw/zinc/05/72/80/599057280.db2.gz DXCWVDUJWIURTJ-BMRADRMJSA-N -1 3 386.343 0.966 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737846060 599057283 /nfs/dbraw/zinc/05/72/83/599057283.db2.gz DXCWVDUJWIURTJ-BMRADRMJSA-N -1 3 386.343 0.966 20 30 GCEDHM COc1ccc(C=NNC(=S)NCCN2CCOCC2)cc1-c1nnn[n-]1 ZINC000737082026 599126219 /nfs/dbraw/zinc/12/62/19/599126219.db2.gz SYTHLCSCDWEIPV-UHFFFAOYSA-N -1 3 390.473 0.006 20 30 GCEDHM COc1ccc(C=NNC(=S)NCCN2CCOCC2)cc1-c1nn[n-]n1 ZINC000737082026 599126222 /nfs/dbraw/zinc/12/62/22/599126222.db2.gz SYTHLCSCDWEIPV-UHFFFAOYSA-N -1 3 390.473 0.006 20 30 GCEDHM Cn1ccc(N2CCC[C@@H](Sc3nc(N)c(C#N)cc3-c3nnn[n-]3)C2=O)n1 ZINC000737613320 599161780 /nfs/dbraw/zinc/16/17/80/599161780.db2.gz OLDVTSLBYUWHEH-LLVKDONJSA-N -1 3 396.440 0.737 20 30 GCEDHM Cn1ccc(N2CCC[C@@H](Sc3nc(N)c(C#N)cc3-c3nn[n-]n3)C2=O)n1 ZINC000737613320 599161781 /nfs/dbraw/zinc/16/17/81/599161781.db2.gz OLDVTSLBYUWHEH-LLVKDONJSA-N -1 3 396.440 0.737 20 30 GCEDHM Cn1ncc2c1nc(CCC(=O)Nc1ccc(-c3nnn[n-]3)c(C#N)c1)[nH]c2=O ZINC000737620773 599191531 /nfs/dbraw/zinc/19/15/31/599191531.db2.gz CKXLWCLDBBOQIZ-UHFFFAOYSA-N -1 3 390.367 0.692 20 30 GCEDHM Cn1ncc2c1nc(CCC(=O)Nc1ccc(-c3nn[n-]n3)c(C#N)c1)[nH]c2=O ZINC000737620773 599191533 /nfs/dbraw/zinc/19/15/33/599191533.db2.gz CKXLWCLDBBOQIZ-UHFFFAOYSA-N -1 3 390.367 0.692 20 30 GCEDHM N#CCCn1ccc(NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000822810757 599284923 /nfs/dbraw/zinc/28/49/23/599284923.db2.gz MHDJWHUTWNUOIZ-UHFFFAOYSA-N -1 3 393.415 0.726 20 30 GCEDHM N#CCCn1ccc(NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000822810757 599284927 /nfs/dbraw/zinc/28/49/27/599284927.db2.gz MHDJWHUTWNUOIZ-UHFFFAOYSA-N -1 3 393.415 0.726 20 30 GCEDHM CCN(C[C@@H](C)C#N)C(=O)CN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000736511196 598249258 /nfs/dbraw/zinc/24/92/58/598249258.db2.gz BBYWDGVWVCUANF-AWEZNQCLSA-N -1 3 383.460 0.392 20 30 GCEDHM CCN(C[C@@H](C)C#N)C(=O)CN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000736511196 598249259 /nfs/dbraw/zinc/24/92/59/598249259.db2.gz BBYWDGVWVCUANF-AWEZNQCLSA-N -1 3 383.460 0.392 20 30 GCEDHM C[C@](C#N)(NC(=O)CN1CCN(c2ccccc2-c2nnn[n-]2)CC1)C1CC1 ZINC000735502600 598252564 /nfs/dbraw/zinc/25/25/64/598252564.db2.gz ADWABVQVIMVWGH-LJQANCHMSA-N -1 3 380.456 0.797 20 30 GCEDHM C[C@](C#N)(NC(=O)CN1CCN(c2ccccc2-c2nn[n-]n2)CC1)C1CC1 ZINC000735502600 598252565 /nfs/dbraw/zinc/25/25/65/598252565.db2.gz ADWABVQVIMVWGH-LJQANCHMSA-N -1 3 380.456 0.797 20 30 GCEDHM C[C@@H](C(=O)N(C)CCC#N)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735513222 598255817 /nfs/dbraw/zinc/25/58/17/598255817.db2.gz JAOHWSFGIXUNAE-ZDUSSCGKSA-N -1 3 386.435 0.888 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000737723474 598267936 /nfs/dbraw/zinc/26/79/36/598267936.db2.gz UQGLLLODXCEQFY-UHFFFAOYSA-N -1 3 397.424 0.039 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000737723474 598267938 /nfs/dbraw/zinc/26/79/38/598267938.db2.gz UQGLLLODXCEQFY-UHFFFAOYSA-N -1 3 397.424 0.039 20 30 GCEDHM C[C@@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)C(=O)NC(=O)NC(C)(C)C ZINC000736194045 598273755 /nfs/dbraw/zinc/27/37/55/598273755.db2.gz XHDZJMJEDHXTNQ-SSDOTTSWSA-N -1 3 389.445 0.820 20 30 GCEDHM C[C@@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)C(=O)NC(=O)NC(C)(C)C ZINC000736194045 598273757 /nfs/dbraw/zinc/27/37/57/598273757.db2.gz XHDZJMJEDHXTNQ-SSDOTTSWSA-N -1 3 389.445 0.820 20 30 GCEDHM Cn1cc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(=O)n(C)c1=O ZINC000737605941 598314931 /nfs/dbraw/zinc/31/49/31/598314931.db2.gz XYJOMOVQBNGZGT-UHFFFAOYSA-N -1 3 394.317 0.729 20 30 GCEDHM N#Cc1ccc(C(=O)OCCCOC(=O)c2ccc(-c3nnn[n-]3)cn2)nc1 ZINC000737712785 598482466 /nfs/dbraw/zinc/48/24/66/598482466.db2.gz UGYIYEOKPYGFAG-UHFFFAOYSA-N -1 3 379.336 0.932 20 30 GCEDHM N#Cc1ccc(C(=O)OCCCOC(=O)c2ccc(-c3nn[n-]n3)cn2)nc1 ZINC000737712785 598482468 /nfs/dbraw/zinc/48/24/68/598482468.db2.gz UGYIYEOKPYGFAG-UHFFFAOYSA-N -1 3 379.336 0.932 20 30 GCEDHM C=CCN(CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000735419008 598538832 /nfs/dbraw/zinc/53/88/32/598538832.db2.gz OGYCIHUQZQCUSB-OAHLLOKOSA-N -1 3 390.469 0.870 20 30 GCEDHM N#CCCCCS(=O)(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737688394 598595745 /nfs/dbraw/zinc/59/57/45/598595745.db2.gz SQKROLBZGDDLTQ-UHFFFAOYSA-N -1 3 390.473 0.844 20 30 GCEDHM N#CCCCCS(=O)(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737688394 598595746 /nfs/dbraw/zinc/59/57/46/598595746.db2.gz SQKROLBZGDDLTQ-UHFFFAOYSA-N -1 3 390.473 0.844 20 30 GCEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000736170515 598624170 /nfs/dbraw/zinc/62/41/70/598624170.db2.gz QCVHWBABMAMFBO-IRPICPOESA-N -1 3 397.395 0.277 20 30 GCEDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NCCNC(=O)C1N=CC=CC1=O ZINC000737853308 598697812 /nfs/dbraw/zinc/69/78/12/598697812.db2.gz KGAOAGUTZDPYQR-FBMGVBCBSA-N -1 3 381.396 0.442 20 30 GCEDHM C#CCNC(=O)CN1CCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000735381826 598808404 /nfs/dbraw/zinc/80/84/04/598808404.db2.gz QZPOUADLRGSVIA-HJWRWDBZSA-N -1 3 393.451 0.164 20 30 GCEDHM C#CCNC(=O)CN1CCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000735381826 598808406 /nfs/dbraw/zinc/80/84/06/598808406.db2.gz QZPOUADLRGSVIA-HJWRWDBZSA-N -1 3 393.451 0.164 20 30 GCEDHM C#CCNC(=O)C1CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CC1 ZINC000819702472 599569604 /nfs/dbraw/zinc/56/96/04/599569604.db2.gz ZVLIPEMLIDMXGX-UHFFFAOYSA-N -1 3 392.423 0.878 20 30 GCEDHM C#CCNC(=O)C1CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000819702472 599569606 /nfs/dbraw/zinc/56/96/06/599569606.db2.gz ZVLIPEMLIDMXGX-UHFFFAOYSA-N -1 3 392.423 0.878 20 30 GCEDHM Cc1cccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1-c1nnn[n-]1 ZINC000822319013 599598066 /nfs/dbraw/zinc/59/80/66/599598066.db2.gz GCMJKTIOYNAPKM-UHFFFAOYSA-N -1 3 391.395 0.609 20 30 GCEDHM Cc1cccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1-c1nn[n-]n1 ZINC000822319013 599598068 /nfs/dbraw/zinc/59/80/68/599598068.db2.gz GCMJKTIOYNAPKM-UHFFFAOYSA-N -1 3 391.395 0.609 20 30 GCEDHM C[C@H](NC(=O)NCCNC(=O)C1N=CC=CC1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820365483 599674737 /nfs/dbraw/zinc/67/47/37/599674737.db2.gz JZRYBTYHETZREI-NRYCMEERSA-N -1 3 396.411 0.753 20 30 GCEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNC(=S)NCCN1CCOCC1 ZINC000822741297 607463579 /nfs/dbraw/zinc/46/35/79/607463579.db2.gz ULLZWHVVJKLRGI-UHFFFAOYSA-N -1 3 378.437 0.136 20 30 GCEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNC(=S)NCCN1CCOCC1 ZINC000822741297 607463580 /nfs/dbraw/zinc/46/35/80/607463580.db2.gz ULLZWHVVJKLRGI-UHFFFAOYSA-N -1 3 378.437 0.136 20 30 GCEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNC(=S)NCCCN1CCOCC1 ZINC000822740605 607463784 /nfs/dbraw/zinc/46/37/84/607463784.db2.gz LXDNQXMZPDJGOM-UHFFFAOYSA-N -1 3 392.464 0.526 20 30 GCEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNC(=S)NCCCN1CCOCC1 ZINC000822740605 607463786 /nfs/dbraw/zinc/46/37/86/607463786.db2.gz LXDNQXMZPDJGOM-UHFFFAOYSA-N -1 3 392.464 0.526 20 30 GCEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000825313952 607515389 /nfs/dbraw/zinc/51/53/89/607515389.db2.gz UZARGBQIVGNBCT-UHFFFAOYSA-N -1 3 393.411 0.964 20 30 GCEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000825313952 607515391 /nfs/dbraw/zinc/51/53/91/607515391.db2.gz UZARGBQIVGNBCT-UHFFFAOYSA-N -1 3 393.411 0.964 20 30 GCEDHM C#CCNC(=O)C1CCN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000823850488 607546783 /nfs/dbraw/zinc/54/67/83/607546783.db2.gz PCSIVDYVFMPFLH-UHFFFAOYSA-N -1 3 388.453 0.325 20 30 GCEDHM C#CCNC(=O)C1CCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000823850488 607546785 /nfs/dbraw/zinc/54/67/85/607546785.db2.gz PCSIVDYVFMPFLH-UHFFFAOYSA-N -1 3 388.453 0.325 20 30 GCEDHM N#Cc1cccnc1NCCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826387145 607598288 /nfs/dbraw/zinc/59/82/88/607598288.db2.gz IGHPRWWMLMKMSC-UHFFFAOYSA-N -1 3 388.388 0.663 20 30 GCEDHM N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826380667 607649660 /nfs/dbraw/zinc/64/96/60/607649660.db2.gz JERUIIKKIWJKTR-SECBINFHSA-N -1 3 388.331 0.799 20 30 GCEDHM Cc1nc(C#N)c(N2CCN(C(=O)CN(C[C@@H](C)C(=O)[O-])C3CC3)CC2)o1 ZINC000832994035 604743597 /nfs/dbraw/zinc/74/35/97/604743597.db2.gz FOZKNZQDHAJASO-GFCCVEGCSA-N -1 3 375.429 0.688 20 30 GCEDHM COC(=O)[C@@H]1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)[C@H](C(=O)[O-])C1 ZINC000833709161 605692726 /nfs/dbraw/zinc/69/27/26/605692726.db2.gz RBZCTFAATBFUAT-INMHGKMJSA-N -1 3 376.409 0.831 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)c1 ZINC000822819117 606266829 /nfs/dbraw/zinc/26/68/29/606266829.db2.gz KWIKDSIXXMOAST-AWEZNQCLSA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)c1 ZINC000822819117 606266834 /nfs/dbraw/zinc/26/68/34/606266834.db2.gz KWIKDSIXXMOAST-AWEZNQCLSA-N -1 3 379.384 0.333 20 30 GCEDHM CC(C)Cn1c(=O)c(=Cc2cc(-c3nnn[n-]3)cs2)sc1=C(C#N)C#N ZINC000820108224 606330120 /nfs/dbraw/zinc/33/01/20/606330120.db2.gz GZLXKVJSLGFPPV-UHFFFAOYSA-N -1 3 383.462 0.834 20 30 GCEDHM CC(C)Cn1c(=O)c(=Cc2cc(-c3nn[n-]n3)cs2)sc1=C(C#N)C#N ZINC000820108224 606330123 /nfs/dbraw/zinc/33/01/23/606330123.db2.gz GZLXKVJSLGFPPV-UHFFFAOYSA-N -1 3 383.462 0.834 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000822819519 606363547 /nfs/dbraw/zinc/36/35/47/606363547.db2.gz UBUAYRWCJHUTRP-WCQYABFASA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822819519 606363548 /nfs/dbraw/zinc/36/35/48/606363548.db2.gz UBUAYRWCJHUTRP-WCQYABFASA-N -1 3 393.411 0.723 20 30 GCEDHM CCOCCn1c(=O)c(=Cc2ccc(-c3nnn[n-]3)s2)sc1=C(C#N)C#N ZINC000821383729 606372194 /nfs/dbraw/zinc/37/21/94/606372194.db2.gz IGASWKFENDUDLX-UHFFFAOYSA-N -1 3 399.461 0.215 20 30 GCEDHM N#Cc1cc(F)ccc1NC(=O)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000822822665 606395476 /nfs/dbraw/zinc/39/54/76/606395476.db2.gz ANEFYQHRNDGSKW-UHFFFAOYSA-N -1 3 395.358 0.439 20 30 GCEDHM N#Cc1cc(F)ccc1NC(=O)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000822822665 606395477 /nfs/dbraw/zinc/39/54/77/606395477.db2.gz ANEFYQHRNDGSKW-UHFFFAOYSA-N -1 3 395.358 0.439 20 30 GCEDHM CCOC(=O)C1=C(C(C)=O)[C@H](c2ccc(-c3nnn[n-]3)s2)NC(=S)N1 ZINC000821321180 606395545 /nfs/dbraw/zinc/39/55/45/606395545.db2.gz VNXIPKZDNHHNBA-JTQLQIEISA-N -1 3 378.439 0.853 20 30 GCEDHM CC[C@@H](C#N)OC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820843427 606614364 /nfs/dbraw/zinc/61/43/64/606614364.db2.gz YWJLEEQVCMAPRE-QWHCGFSZSA-N -1 3 383.368 0.917 20 30 GCEDHM CC[C@@H](C#N)OC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820843427 606614365 /nfs/dbraw/zinc/61/43/65/606614365.db2.gz YWJLEEQVCMAPRE-QWHCGFSZSA-N -1 3 383.368 0.917 20 30 GCEDHM O=C(CN=C1NS(=O)(=O)c2ccccc21)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823005345 606653567 /nfs/dbraw/zinc/65/35/67/606653567.db2.gz NCYFLOOLRUPMER-UHFFFAOYSA-N -1 3 399.392 0.044 20 30 GCEDHM N#CCCn1ccc(NC(=O)C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822811374 606659052 /nfs/dbraw/zinc/65/90/52/606659052.db2.gz YGBLXDHTOHYMSA-UHFFFAOYSA-N -1 3 395.383 0.111 20 30 GCEDHM C=CCC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819734356 606744557 /nfs/dbraw/zinc/74/45/57/606744557.db2.gz NAMHHKQTWCZOHU-HNNXBMFYSA-N -1 3 392.485 0.500 20 30 GCEDHM C=CCC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819734356 606744558 /nfs/dbraw/zinc/74/45/58/606744558.db2.gz NAMHHKQTWCZOHU-HNNXBMFYSA-N -1 3 392.485 0.500 20 30 GCEDHM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820803938 606823542 /nfs/dbraw/zinc/82/35/42/606823542.db2.gz JXQDYRRWGRKRFD-ZDUSSCGKSA-N -1 3 389.423 0.808 20 30 GCEDHM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820803938 606823543 /nfs/dbraw/zinc/82/35/43/606823543.db2.gz JXQDYRRWGRKRFD-ZDUSSCGKSA-N -1 3 389.423 0.808 20 30 GCEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000820803676 606823742 /nfs/dbraw/zinc/82/37/42/606823742.db2.gz FDVSFNJNUCZNFG-LLVKDONJSA-N -1 3 376.384 0.274 20 30 GCEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000820803676 606823743 /nfs/dbraw/zinc/82/37/43/606823743.db2.gz FDVSFNJNUCZNFG-LLVKDONJSA-N -1 3 376.384 0.274 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)C[C@H](C)C(=O)OC ZINC000819745603 606841454 /nfs/dbraw/zinc/84/14/54/606841454.db2.gz LRTXHWYJXPFVHD-LBPRGKRZSA-N -1 3 379.442 0.994 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)C[C@H](C)C(=O)OC ZINC000819745603 606841455 /nfs/dbraw/zinc/84/14/55/606841455.db2.gz LRTXHWYJXPFVHD-LBPRGKRZSA-N -1 3 379.442 0.994 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C1(C#N)CCC1 ZINC000820443955 607000029 /nfs/dbraw/zinc/00/00/29/607000029.db2.gz BZYABDLFKKDRLP-LLVKDONJSA-N -1 3 389.441 0.438 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C1(C#N)CCC1 ZINC000820443955 607000030 /nfs/dbraw/zinc/00/00/30/607000030.db2.gz BZYABDLFKKDRLP-LLVKDONJSA-N -1 3 389.441 0.438 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822969726 607002588 /nfs/dbraw/zinc/00/25/88/607002588.db2.gz YVUSIZUQWRDUSA-ICFOKQHNSA-N -1 3 386.343 0.966 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822969726 607002590 /nfs/dbraw/zinc/00/25/90/607002590.db2.gz YVUSIZUQWRDUSA-ICFOKQHNSA-N -1 3 386.343 0.966 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1(C#N)CCC1 ZINC000820445558 607008923 /nfs/dbraw/zinc/00/89/23/607008923.db2.gz QVWGYNOVPAPFTC-SNVBAGLBSA-N -1 3 375.414 0.096 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1(C#N)CCC1 ZINC000820445558 607008925 /nfs/dbraw/zinc/00/89/25/607008925.db2.gz QVWGYNOVPAPFTC-SNVBAGLBSA-N -1 3 375.414 0.096 20 30 GCEDHM C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000819740044 607020786 /nfs/dbraw/zinc/02/07/86/607020786.db2.gz MNODPINHODEQLO-LBPRGKRZSA-N -1 3 378.458 0.957 20 30 GCEDHM C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000819740044 607020788 /nfs/dbraw/zinc/02/07/88/607020788.db2.gz MNODPINHODEQLO-LBPRGKRZSA-N -1 3 378.458 0.957 20 30 GCEDHM C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000819739829 607020907 /nfs/dbraw/zinc/02/09/07/607020907.db2.gz JDPSPEBBJPBWEL-GFCCVEGCSA-N -1 3 378.458 0.957 20 30 GCEDHM C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000819739829 607020908 /nfs/dbraw/zinc/02/09/08/607020908.db2.gz JDPSPEBBJPBWEL-GFCCVEGCSA-N -1 3 378.458 0.957 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCCC#N ZINC000820444314 607022478 /nfs/dbraw/zinc/02/24/78/607022478.db2.gz IKFIERHMZOQGQC-LLVKDONJSA-N -1 3 377.430 0.344 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCCC#N ZINC000820444314 607022479 /nfs/dbraw/zinc/02/24/79/607022479.db2.gz IKFIERHMZOQGQC-LLVKDONJSA-N -1 3 377.430 0.344 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCCCC#N ZINC000820451703 607023290 /nfs/dbraw/zinc/02/32/90/607023290.db2.gz WVCMGBOHUSENSV-LLVKDONJSA-N -1 3 377.430 0.344 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCCCC#N ZINC000820451703 607023291 /nfs/dbraw/zinc/02/32/91/607023291.db2.gz WVCMGBOHUSENSV-LLVKDONJSA-N -1 3 377.430 0.344 20 30 GCEDHM C=CCCCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819740187 607039604 /nfs/dbraw/zinc/03/96/04/607039604.db2.gz SKURASTZLUTLPM-GFCCVEGCSA-N -1 3 378.458 0.958 20 30 GCEDHM C=CCCCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819740187 607039605 /nfs/dbraw/zinc/03/96/05/607039605.db2.gz SKURASTZLUTLPM-GFCCVEGCSA-N -1 3 378.458 0.958 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000819701642 607048712 /nfs/dbraw/zinc/04/87/12/607048712.db2.gz KMJBEAALFYNOFF-SFHVURJKSA-N -1 3 395.467 0.864 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000819701642 607048714 /nfs/dbraw/zinc/04/87/14/607048714.db2.gz KMJBEAALFYNOFF-SFHVURJKSA-N -1 3 395.467 0.864 20 30 GCEDHM CC(C)[C@@H](C#N)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820444154 607082206 /nfs/dbraw/zinc/08/22/06/607082206.db2.gz HEEPBGUOABXXJD-ZWNOBZJWSA-N -1 3 378.414 0.625 20 30 GCEDHM CC(C)[C@@H](C#N)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820444154 607082208 /nfs/dbraw/zinc/08/22/08/607082208.db2.gz HEEPBGUOABXXJD-ZWNOBZJWSA-N -1 3 378.414 0.625 20 30 GCEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCn1ncc(C#N)c1N ZINC000820005162 607083711 /nfs/dbraw/zinc/08/37/11/607083711.db2.gz LIWUMIGNRDMMTN-UHFFFAOYSA-N -1 3 382.384 0.918 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCCCC#N ZINC000820450050 607089604 /nfs/dbraw/zinc/08/96/04/607089604.db2.gz GMQFIMOPEKNXJL-LLVKDONJSA-N -1 3 378.414 0.771 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCCCC#N ZINC000820450050 607089605 /nfs/dbraw/zinc/08/96/05/607089605.db2.gz GMQFIMOPEKNXJL-LLVKDONJSA-N -1 3 378.414 0.771 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC1(C#N)CCC1 ZINC000820446333 607091931 /nfs/dbraw/zinc/09/19/31/607091931.db2.gz UXQGLBWMNNYQGT-JTQLQIEISA-N -1 3 376.398 0.523 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC1(C#N)CCC1 ZINC000820446333 607091932 /nfs/dbraw/zinc/09/19/32/607091932.db2.gz UXQGLBWMNNYQGT-JTQLQIEISA-N -1 3 376.398 0.523 20 30 GCEDHM C=CCCOCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823898935 607944610 /nfs/dbraw/zinc/94/46/10/607944610.db2.gz FZHYPCVGRJYSAE-LBPRGKRZSA-N -1 3 394.457 0.242 20 30 GCEDHM C=CCCOCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823898935 607944611 /nfs/dbraw/zinc/94/46/11/607944611.db2.gz FZHYPCVGRJYSAE-LBPRGKRZSA-N -1 3 394.457 0.242 20 30 GCEDHM Cc1oc(NC(=O)CN(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(C#N)c1C ZINC000826341801 608035143 /nfs/dbraw/zinc/03/51/43/608035143.db2.gz QGGOLDAQCBPUHB-UHFFFAOYSA-N -1 3 398.431 0.757 20 30 GCEDHM C#CCNS(=O)(=O)N1CCN([C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823849961 608040789 /nfs/dbraw/zinc/04/07/89/608040789.db2.gz FBJZMMIWZNFWKL-CYBMUJFWSA-N -1 3 375.458 0.013 20 30 GCEDHM Cn1cc(C#N)c(=O)n(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1=O ZINC000826358024 608096791 /nfs/dbraw/zinc/09/67/91/608096791.db2.gz APUBGJDGZCQQND-UHFFFAOYSA-N -1 3 375.295 0.248 20 30 GCEDHM Cn1cc(C#N)c(=O)n(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1=O ZINC000826358024 608096792 /nfs/dbraw/zinc/09/67/92/608096792.db2.gz APUBGJDGZCQQND-UHFFFAOYSA-N -1 3 375.295 0.248 20 30 GCEDHM C#CCOCCNS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000823856143 608125464 /nfs/dbraw/zinc/12/54/64/608125464.db2.gz KYFJUGXVNCFJIP-UHFFFAOYSA-N -1 3 386.231 0.557 20 30 GCEDHM C#CCOCCNS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000823856143 608125463 /nfs/dbraw/zinc/12/54/63/608125463.db2.gz KYFJUGXVNCFJIP-UHFFFAOYSA-N -1 3 386.231 0.557 20 30 GCEDHM C#CCNC(=O)CN1CCCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000823849991 608183323 /nfs/dbraw/zinc/18/33/23/608183323.db2.gz GEGYGUKWCRSYOY-UHFFFAOYSA-N -1 3 380.865 0.238 20 30 GCEDHM C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823898819 608249628 /nfs/dbraw/zinc/24/96/28/608249628.db2.gz CNLHNQICNAAFLK-LLVKDONJSA-N -1 3 376.442 0.711 20 30 GCEDHM C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823898819 608249630 /nfs/dbraw/zinc/24/96/30/608249630.db2.gz CNLHNQICNAAFLK-LLVKDONJSA-N -1 3 376.442 0.711 20 30 GCEDHM N#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[nH]1 ZINC000826384097 608277283 /nfs/dbraw/zinc/27/72/83/608277283.db2.gz GVSDZLRQUOPENX-LLVKDONJSA-N -1 3 379.384 0.429 20 30 GCEDHM N#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[nH]1 ZINC000826384097 608277284 /nfs/dbraw/zinc/27/72/84/608277284.db2.gz GVSDZLRQUOPENX-LLVKDONJSA-N -1 3 379.384 0.429 20 30 GCEDHM N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000826383588 608277510 /nfs/dbraw/zinc/27/75/10/608277510.db2.gz HSDSMHZRTDMZPG-GFCCVEGCSA-N -1 3 379.384 0.429 20 30 GCEDHM N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000826383588 608277511 /nfs/dbraw/zinc/27/75/11/608277511.db2.gz HSDSMHZRTDMZPG-GFCCVEGCSA-N -1 3 379.384 0.429 20 30 GCEDHM Cc1cc(NC(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)nn1CCC#N ZINC000826269845 608490669 /nfs/dbraw/zinc/49/06/69/608490669.db2.gz ZHSLRUFKYNGAHM-UHFFFAOYSA-N -1 3 379.384 0.540 20 30 GCEDHM Cc1cc(NC(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)nn1CCC#N ZINC000826269845 608490671 /nfs/dbraw/zinc/49/06/71/608490671.db2.gz ZHSLRUFKYNGAHM-UHFFFAOYSA-N -1 3 379.384 0.540 20 30 GCEDHM N#Cc1ccncc1N1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000826387578 608770272 /nfs/dbraw/zinc/77/02/72/608770272.db2.gz CXZUVXSHMBDZTR-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM N#Cc1ccncc1N1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000826387578 608770274 /nfs/dbraw/zinc/77/02/74/608770274.db2.gz CXZUVXSHMBDZTR-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM Cc1ccsc1-c1nnc(NC(=O)Cn2c(N)nc(C#N)c2-c2nnn[n-]2)o1 ZINC000826315669 609174494 /nfs/dbraw/zinc/17/44/94/609174494.db2.gz PQQFIHQSBOYJBY-UHFFFAOYSA-N -1 3 397.384 0.576 20 30 GCEDHM Cc1ccsc1-c1nnc(NC(=O)Cn2c(N)nc(C#N)c2-c2nn[n-]n2)o1 ZINC000826315669 609174496 /nfs/dbraw/zinc/17/44/96/609174496.db2.gz PQQFIHQSBOYJBY-UHFFFAOYSA-N -1 3 397.384 0.576 20 30 GCEDHM N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2=O)cc1 ZINC000826385434 609178890 /nfs/dbraw/zinc/17/88/90/609178890.db2.gz MHWRJKBISOPJJH-HNNXBMFYSA-N -1 3 376.380 0.992 20 30 GCEDHM N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2=O)cc1 ZINC000826385434 609178892 /nfs/dbraw/zinc/17/88/92/609178892.db2.gz MHWRJKBISOPJJH-HNNXBMFYSA-N -1 3 376.380 0.992 20 30 GCEDHM N#Cc1cc(C(=O)NC2CCC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)c[nH]1 ZINC000826383804 609195390 /nfs/dbraw/zinc/19/53/90/609195390.db2.gz RADQPPXYAKUURP-UHFFFAOYSA-N -1 3 393.411 0.866 20 30 GCEDHM N#Cc1cc(C(=O)NC2CCC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)c[nH]1 ZINC000826383804 609195392 /nfs/dbraw/zinc/19/53/92/609195392.db2.gz RADQPPXYAKUURP-UHFFFAOYSA-N -1 3 393.411 0.866 20 30 GCEDHM N#C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000826380977 609206827 /nfs/dbraw/zinc/20/68/27/609206827.db2.gz SLPSJRSMDILNPO-LSDHHAIUSA-N -1 3 396.411 0.296 20 30 GCEDHM N#C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000826380977 609206829 /nfs/dbraw/zinc/20/68/29/609206829.db2.gz SLPSJRSMDILNPO-LSDHHAIUSA-N -1 3 396.411 0.296 20 30 GCEDHM N#C[C@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000826380975 609206904 /nfs/dbraw/zinc/20/69/04/609206904.db2.gz SLPSJRSMDILNPO-GJZGRUSLSA-N -1 3 396.411 0.296 20 30 GCEDHM N#C[C@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000826380975 609206905 /nfs/dbraw/zinc/20/69/05/609206905.db2.gz SLPSJRSMDILNPO-GJZGRUSLSA-N -1 3 396.411 0.296 20 30 GCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824977299 609220886 /nfs/dbraw/zinc/22/08/86/609220886.db2.gz QDNCXYCXEGMSLZ-SNVBAGLBSA-N -1 3 379.384 0.381 20 30 GCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824977299 609220888 /nfs/dbraw/zinc/22/08/88/609220888.db2.gz QDNCXYCXEGMSLZ-SNVBAGLBSA-N -1 3 379.384 0.381 20 30 GCEDHM C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824977298 609221169 /nfs/dbraw/zinc/22/11/69/609221169.db2.gz QDNCXYCXEGMSLZ-JTQLQIEISA-N -1 3 379.384 0.381 20 30 GCEDHM C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824977298 609221170 /nfs/dbraw/zinc/22/11/70/609221170.db2.gz QDNCXYCXEGMSLZ-JTQLQIEISA-N -1 3 379.384 0.381 20 30 GCEDHM N#Cc1cnn(CCOC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1N ZINC000826387831 609256858 /nfs/dbraw/zinc/25/68/58/609256858.db2.gz TXUYNTOABUIVRR-HNNXBMFYSA-N -1 3 393.411 0.729 20 30 GCEDHM CC(=NNC(=S)NCCN1CCOCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953769 609275414 /nfs/dbraw/zinc/27/54/14/609275414.db2.gz PPIXQYDCBKUHJR-UHFFFAOYSA-N -1 3 392.464 0.526 20 30 GCEDHM CC(=NNC(=S)NCCN1CCOCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953769 609275415 /nfs/dbraw/zinc/27/54/15/609275415.db2.gz PPIXQYDCBKUHJR-UHFFFAOYSA-N -1 3 392.464 0.526 20 30 GCEDHM CC(N=Nc1ccc(S(N)(=O)=O)cn1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958798 609275999 /nfs/dbraw/zinc/27/59/99/609275999.db2.gz XEGDUVGZELUYGR-UHFFFAOYSA-N -1 3 376.377 0.884 20 30 GCEDHM N#Cc1cc(C(=O)N(CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)c[nH]1 ZINC000826383846 609452801 /nfs/dbraw/zinc/45/28/01/609452801.db2.gz UALKLMQTDYLYJB-UHFFFAOYSA-N -1 3 379.384 0.429 20 30 GCEDHM N#Cc1cc(C(=O)N(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)c[nH]1 ZINC000826383846 609452803 /nfs/dbraw/zinc/45/28/03/609452803.db2.gz UALKLMQTDYLYJB-UHFFFAOYSA-N -1 3 379.384 0.429 20 30 GCEDHM CC(C)[C@@](C)(CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC000824191040 609460119 /nfs/dbraw/zinc/46/01/19/609460119.db2.gz CJLQDFISWHWDTQ-GOSISDBHSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)[C@@](C)(CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC000824191040 609460121 /nfs/dbraw/zinc/46/01/21/609460121.db2.gz CJLQDFISWHWDTQ-GOSISDBHSA-N -1 3 395.427 0.969 20 30 GCEDHM C=CCCS(=O)(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823899500 609583780 /nfs/dbraw/zinc/58/37/80/609583780.db2.gz XGFUHLFBUKYATP-AWEZNQCLSA-N -1 3 376.442 0.858 20 30 GCEDHM N#CCCCS(=O)(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826381587 609587638 /nfs/dbraw/zinc/58/76/38/609587638.db2.gz RBRLGWMVNPGZRY-CQSZACIVSA-N -1 3 389.441 0.585 20 30 GCEDHM N#Cc1ccc([C@@H](OC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C(N)=O)cc1 ZINC000826384842 609629591 /nfs/dbraw/zinc/62/95/91/609629591.db2.gz LOPGODUZGVWHFF-HUUCEWRRSA-N -1 3 378.348 0.542 20 30 GCEDHM N#Cc1ccc([C@@H](OC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C(N)=O)cc1 ZINC000826384842 609629592 /nfs/dbraw/zinc/62/95/92/609629592.db2.gz LOPGODUZGVWHFF-HUUCEWRRSA-N -1 3 378.348 0.542 20 30 GCEDHM N#Cc1ccc([C@H](OC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C(N)=O)cc1 ZINC000826384841 609629871 /nfs/dbraw/zinc/62/98/71/609629871.db2.gz LOPGODUZGVWHFF-GJZGRUSLSA-N -1 3 378.348 0.542 20 30 GCEDHM N#Cc1ccc([C@H](OC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C(N)=O)cc1 ZINC000826384841 609629872 /nfs/dbraw/zinc/62/98/72/609629872.db2.gz LOPGODUZGVWHFF-GJZGRUSLSA-N -1 3 378.348 0.542 20 30 GCEDHM N#Cc1ccc(NC(=O)COC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826385306 609634016 /nfs/dbraw/zinc/63/40/16/609634016.db2.gz GEPCHTCSPATIHL-INIZCTEOSA-N -1 3 378.348 0.954 20 30 GCEDHM N#Cc1ccc(NC(=O)COC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826385306 609634017 /nfs/dbraw/zinc/63/40/17/609634017.db2.gz GEPCHTCSPATIHL-INIZCTEOSA-N -1 3 378.348 0.954 20 30 GCEDHM N#CCCN(CCC#N)C(=O)COC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826381236 609635353 /nfs/dbraw/zinc/63/53/53/609635353.db2.gz CUZBOJXFPMPWPP-OAHLLOKOSA-N -1 3 383.368 0.099 20 30 GCEDHM N#CCCN(CCC#N)C(=O)COC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826381236 609635355 /nfs/dbraw/zinc/63/53/55/609635355.db2.gz CUZBOJXFPMPWPP-OAHLLOKOSA-N -1 3 383.368 0.099 20 30 GCEDHM C=CCOCCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823926021 609641893 /nfs/dbraw/zinc/64/18/93/609641893.db2.gz WEOHXFXZQILPIH-AWEZNQCLSA-N -1 3 399.411 0.391 20 30 GCEDHM C=CCOCCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823926021 609641895 /nfs/dbraw/zinc/64/18/95/609641895.db2.gz WEOHXFXZQILPIH-AWEZNQCLSA-N -1 3 399.411 0.391 20 30 GCEDHM CC#CC[C@@H](CO)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867454248 638523625 /nfs/dbraw/zinc/52/36/25/638523625.db2.gz AGDQLPUDKZCFOZ-QMMMGPOBSA-N -1 3 383.211 0.077 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCS(=O)(=O)C2)ccc1F ZINC000733956565 639989279 /nfs/dbraw/zinc/98/92/79/639989279.db2.gz NSYJRQSLSVAJGU-LBPRGKRZSA-N -1 3 390.458 0.597 20 30 GCEDHM C[C@@H](CC(=O)NCCOCC(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000788107187 640184028 /nfs/dbraw/zinc/18/40/28/640184028.db2.gz WQDUFCMUDNCNHE-JTQLQIEISA-N -1 3 375.397 0.902 20 30 GCEDHM C[C@H](CC(=O)N1CCSC[C@H]1C#N)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000775575424 641078248 /nfs/dbraw/zinc/07/82/48/641078248.db2.gz CAKHUGOIRIAYGK-VXGBXAGGSA-N -1 3 378.479 0.971 20 30 GCEDHM CS(=O)(=O)CCS(=O)(=O)[N-][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000779954549 641200529 /nfs/dbraw/zinc/20/05/29/641200529.db2.gz RWDYBFNCNOUEKQ-AWEZNQCLSA-N -1 3 385.467 0.018 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CCSC)C(N)=O)ccc1F ZINC000862715026 641206871 /nfs/dbraw/zinc/20/68/71/641206871.db2.gz PJPRQKQSDQHQLJ-LBPRGKRZSA-N -1 3 389.474 0.627 20 30 GCEDHM C[C@@H](CC(=O)NC[C@@H](O)C(F)(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000791192132 641427993 /nfs/dbraw/zinc/42/79/93/641427993.db2.gz GJJMHIFJKUCXIF-GZMMTYOYSA-N -1 3 379.360 0.543 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OC[C@@H]1CCCS(=O)(=O)C1 ZINC000791511452 641431567 /nfs/dbraw/zinc/43/15/67/641431567.db2.gz ONTJQDPSVLQLTB-NSHDSACASA-N -1 3 386.451 0.093 20 30 GCEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1cccc(Br)n1)C(=O)OC ZINC000872482359 641472350 /nfs/dbraw/zinc/47/23/50/641472350.db2.gz UUIHORZKEWVRPK-VIFPVBQESA-N -1 3 379.232 0.867 20 30 GCEDHM O=C(C[N-]C(=O)C(=O)Nc1cc(F)c(F)c(F)c1F)NCC(F)(F)F ZINC000873670853 641505749 /nfs/dbraw/zinc/50/57/49/641505749.db2.gz LIMBVCQZXSDSBU-UHFFFAOYSA-N -1 3 375.200 0.976 20 30 GCEDHM CS(=O)(=O)[N-]c1cc(C(=O)OCC(=O)NCC#N)cc(C(F)(F)F)c1 ZINC000795780929 641525510 /nfs/dbraw/zinc/52/55/10/641525510.db2.gz IRQZBRXKDXYGKJ-UHFFFAOYSA-N -1 3 379.316 0.873 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)[N-]C[C@@](O)(c2ccccc2)C(F)(F)F)CCO1 ZINC000800057443 641766279 /nfs/dbraw/zinc/76/62/79/641766279.db2.gz COLPQDVERYZPRX-QWHCGFSZSA-N -1 3 379.360 0.495 20 30 GCEDHM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H]2CCCN([O-])C2=O)s1 ZINC000816756755 641864551 /nfs/dbraw/zinc/86/45/51/641864551.db2.gz DRIDZRUHUYITGI-RYUDHWBXSA-N -1 3 387.483 0.706 20 30 GCEDHM COc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)nc1I ZINC000816759545 641864820 /nfs/dbraw/zinc/86/48/20/641864820.db2.gz OWPYRDDAVNNMIT-QMMMGPOBSA-N -1 3 391.165 0.805 20 30 GCEDHM CCOC(=O)[C@H]1CSCN1C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000819588331 641937099 /nfs/dbraw/zinc/93/70/99/641937099.db2.gz COQWQOAGCJONCS-LLVKDONJSA-N -1 3 383.451 0.190 20 30 GCEDHM C#CCOC(=O)[C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000928977769 641954204 /nfs/dbraw/zinc/95/42/04/641954204.db2.gz JCRBEELXUVTULJ-CTXBLAANSA-N -1 3 385.463 0.556 20 30 GCEDHM CCOC(=O)C1=C(C(C)=O)[C@H](c2cc(-c3nnn[n-]3)cs2)NC(=S)N1 ZINC000821320920 641986144 /nfs/dbraw/zinc/98/61/44/641986144.db2.gz QIHJXAMLZWZDKH-JTQLQIEISA-N -1 3 378.439 0.853 20 30 GCEDHM CCOC(=O)C1=C(C(C)=O)[C@H](c2cc(-c3nn[n-]n3)cs2)NC(=S)N1 ZINC000821320920 641986146 /nfs/dbraw/zinc/98/61/46/641986146.db2.gz QIHJXAMLZWZDKH-JTQLQIEISA-N -1 3 378.439 0.853 20 30 GCEDHM C#CCC[C@@H](O)C[N-]S(=O)(=O)c1c(C)nn2cc(Br)cnc12 ZINC000867227038 642268614 /nfs/dbraw/zinc/26/86/14/642268614.db2.gz UILKIQYVZITRJF-LLVKDONJSA-N -1 3 387.259 0.853 20 30 GCEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000848134572 642528697 /nfs/dbraw/zinc/52/86/97/642528697.db2.gz BEGKIRDLUWTYRW-SNVBAGLBSA-N -1 3 384.190 0.792 20 30 GCEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000848136807 642528731 /nfs/dbraw/zinc/52/87/31/642528731.db2.gz RKCPKPRWLLRVFA-ZDUSSCGKSA-N -1 3 387.845 0.990 20 30 GCEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000848135626 642528816 /nfs/dbraw/zinc/52/88/16/642528816.db2.gz GMBDPTIQBAFALH-ZDUSSCGKSA-N -1 3 387.845 0.844 20 30 GCEDHM C=CC[C@H](CO)[N-]S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br ZINC001211691671 1192274599 /nfs/dbraw/zinc/27/45/99/1192274599.db2.gz OUGJJUHYXJZGOX-SSDOTTSWSA-N -1 3 381.223 0.902 20 30 GCEDHM CC(C)OCCS(=O)(=O)[N-]CC(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000748147724 1185057999 /nfs/dbraw/zinc/05/79/99/1185057999.db2.gz FUUYCFPPAIHBAP-CYBMUJFWSA-N -1 3 397.453 0.773 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000376214817 1187685743 /nfs/dbraw/zinc/68/57/43/1187685743.db2.gz ZWGSUICDSNPWJS-KGLIPLIRSA-N -1 3 379.438 0.132 20 30 GCEDHM COC(=O)[C@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)Cc1ccc([O-])c(F)c1 ZINC000420764806 1194263535 /nfs/dbraw/zinc/26/35/35/1194263535.db2.gz KLODTUHDYDJNAO-AAEUAGOBSA-N -1 3 387.433 0.789 20 30 GCEDHM COC(=O)[C@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)Cc1ccc([O-])c(F)c1 ZINC000420764811 1194263588 /nfs/dbraw/zinc/26/35/88/1194263588.db2.gz KLODTUHDYDJNAO-YPMHNXCESA-N -1 3 387.433 0.789 20 30 GCEDHM CN(Cc1cc(=O)[n-]c(N)n1)[C@H]1CCN(C(=O)CNc2cccc(C#N)c2)C1 ZINC000435042012 1194884394 /nfs/dbraw/zinc/88/43/94/1194884394.db2.gz KRCSLHSNSOIJNQ-INIZCTEOSA-N -1 3 381.440 0.781 20 30 GCEDHM C=CCn1cc(CNC(=O)N2CCC(c3n[n-]c(C(=O)OCC)n3)CC2)nn1 ZINC000425879019 1195145021 /nfs/dbraw/zinc/14/50/21/1195145021.db2.gz QJRCACIBRLZTFS-UHFFFAOYSA-N -1 3 388.432 0.848 20 30 GCEDHM C=CCn1cc(CNC(=O)N2CCC(c3nnc(C(=O)OCC)[n-]3)CC2)nn1 ZINC000425879019 1195145024 /nfs/dbraw/zinc/14/50/24/1195145024.db2.gz QJRCACIBRLZTFS-UHFFFAOYSA-N -1 3 388.432 0.848 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NCc1ncnn1-c1ccccc1 ZINC000785398190 1195286751 /nfs/dbraw/zinc/28/67/51/1195286751.db2.gz FPSDZMFONDUGMO-UHFFFAOYSA-N -1 3 396.432 0.622 20 30 GCEDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000427150760 1195511121 /nfs/dbraw/zinc/51/11/21/1195511121.db2.gz APVOHWRNIAQFTM-GFCCVEGCSA-N -1 3 396.363 0.912 20 30 GCEDHM C[C@H](CCS(C)(=O)=O)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000331225474 1195722287 /nfs/dbraw/zinc/72/22/87/1195722287.db2.gz DXXGKGIMGGCVPS-CYBMUJFWSA-N -1 3 383.470 0.887 20 30 GCEDHM C=CCNC(=O)NC(=O)CSc1nc2nc(C)cc(C(=O)OC)c2c(=O)[n-]1 ZINC000520556157 1195787041 /nfs/dbraw/zinc/78/70/41/1195787041.db2.gz BGFUEQSVROBVCE-UHFFFAOYSA-N -1 3 391.409 0.929 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[C@@H](C)O2)n1 ZINC000984135346 1195982357 /nfs/dbraw/zinc/98/23/57/1195982357.db2.gz HCKVFUBTYYTPQI-REBRKWNGSA-N -1 3 390.440 0.573 20 30 GCEDHM N#Cc1ccc(CCC(=O)NCC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)cc1 ZINC000143324153 1196417255 /nfs/dbraw/zinc/41/72/55/1196417255.db2.gz FAMYEUBZWFGWPJ-UHFFFAOYSA-N -1 3 391.387 0.776 20 30 GCEDHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447756812 1196747511 /nfs/dbraw/zinc/74/75/11/1196747511.db2.gz HKRWNJKYLUQGLF-IUODEOHRSA-N -1 3 378.454 0.450 20 30 GCEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000531547195 1197083759 /nfs/dbraw/zinc/08/37/59/1197083759.db2.gz ZMMHQCLZDQLQJH-CYBMUJFWSA-N -1 3 380.408 0.521 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC[S@](C)(=O)=NC)ccc1F ZINC001301476053 1199900957 /nfs/dbraw/zinc/90/09/57/1199900957.db2.gz RRQQWNGJGYBXKW-QHCPKHFHSA-N -1 3 377.463 0.747 20 30 GCEDHM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(O)c(CN2CCOCC2)c1 ZINC000731158081 1201473645 /nfs/dbraw/zinc/47/36/45/1201473645.db2.gz ZHGFSAHOXGDIRF-UHFFFAOYSA-N -1 3 383.412 0.806 20 30 GCEDHM COc1cccc([C@@H](O)CNC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000732296174 1201531531 /nfs/dbraw/zinc/53/15/31/1201531531.db2.gz NHIYCNLJVCIRJT-HNNXBMFYSA-N -1 3 389.433 0.584 20 30 GCEDHM NC(=O)CN(Cc1ccccc1)C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000732770092 1201560115 /nfs/dbraw/zinc/56/01/15/1201560115.db2.gz UQBIRXFQQRAZDP-UHFFFAOYSA-N -1 3 386.433 0.239 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)Nc1cnn(-c2ccccn2)c1 ZINC000739655056 1201741840 /nfs/dbraw/zinc/74/18/40/1201741840.db2.gz ALHIEYBCJIAIQT-UHFFFAOYSA-N -1 3 382.405 0.945 20 30 GCEDHM COC(=O)[C@H](CNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)CC(C)C ZINC000741716256 1201782925 /nfs/dbraw/zinc/78/29/25/1201782925.db2.gz BUMBTWFLWZRCFV-LBPRGKRZSA-N -1 3 381.454 0.677 20 30 GCEDHM COC(=O)C1CCN(C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000742474363 1201797668 /nfs/dbraw/zinc/79/76/68/1201797668.db2.gz WQEIZUJXOWTIIK-LBPRGKRZSA-N -1 3 393.465 0.915 20 30 GCEDHM CC(C)OC(=O)CCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742498200 1201798429 /nfs/dbraw/zinc/79/84/29/1201798429.db2.gz MXIVIFYWISYTDO-GFCCVEGCSA-N -1 3 381.454 0.962 20 30 GCEDHM COC(=O)[C@@H]1CCCN1C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742523968 1201799140 /nfs/dbraw/zinc/79/91/40/1201799140.db2.gz GLPYITSYSZNSGB-YPMHNXCESA-N -1 3 379.438 0.668 20 30 GCEDHM C[C@H](CC(=O)N[C@@H]1CCCCNC1=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742533823 1201799573 /nfs/dbraw/zinc/79/95/73/1201799573.db2.gz TYNIEWSYFMCGEF-DGCLKSJQSA-N -1 3 378.454 0.289 20 30 GCEDHM CCOC(=O)CCCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742517298 1201799829 /nfs/dbraw/zinc/79/98/29/1201799829.db2.gz JRMADYWRZLVJDQ-GFCCVEGCSA-N -1 3 381.454 0.963 20 30 GCEDHM COC(=O)CCCN(C)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742540366 1201799996 /nfs/dbraw/zinc/79/99/96/1201799996.db2.gz LGYPKGJCHFXBMW-LBPRGKRZSA-N -1 3 381.454 0.915 20 30 GCEDHM CCCCN(CC(N)=O)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742538099 1201800121 /nfs/dbraw/zinc/80/01/21/1201800121.db2.gz FSKCJMIMHCQNFS-GFCCVEGCSA-N -1 3 380.470 0.618 20 30 GCEDHM CCCN(CC(=O)OC)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742571107 1201801084 /nfs/dbraw/zinc/80/10/84/1201801084.db2.gz WGLHUBPFACCGSZ-GFCCVEGCSA-N -1 3 381.454 0.915 20 30 GCEDHM C[C@H](CC(=O)N[C@@H](C)C(=O)NC(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742583915 1201801224 /nfs/dbraw/zinc/80/12/24/1201801224.db2.gz UDQZHTUBTGLZJG-NEPJUHHUSA-N -1 3 394.497 0.923 20 30 GCEDHM CCCN(CC(=O)N(C)C)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742567821 1201801983 /nfs/dbraw/zinc/80/19/83/1201801983.db2.gz DBKHNXXZTKYIRS-CYBMUJFWSA-N -1 3 394.497 0.831 20 30 GCEDHM C[C@@H](CC(=O)NCCCc1cnn(C)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742620331 1201802913 /nfs/dbraw/zinc/80/29/13/1201802913.db2.gz YKACADZINUXFQF-ZDUSSCGKSA-N -1 3 389.481 0.986 20 30 GCEDHM C[C@@H](CC(=O)N(C)CCN1CCOCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742618220 1201802937 /nfs/dbraw/zinc/80/29/37/1201802937.db2.gz BEXJVZLHWQATNL-AWEZNQCLSA-N -1 3 394.497 0.294 20 30 GCEDHM C[C@H](CC(=O)NC1CCN(CC#N)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742647776 1201803316 /nfs/dbraw/zinc/80/33/16/1201803316.db2.gz IMQPRNMBARNOLF-CYBMUJFWSA-N -1 3 389.481 0.608 20 30 GCEDHM C[C@@H](CC(=O)N(C)Cc1nccn1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742631525 1201803731 /nfs/dbraw/zinc/80/37/31/1201803731.db2.gz XSCZUZMMEXLTRP-LBPRGKRZSA-N -1 3 375.454 0.896 20 30 GCEDHM C[C@H](CC(=O)N(C)CCn1cccn1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742666992 1201804811 /nfs/dbraw/zinc/80/48/11/1201804811.db2.gz YHKXUJRYWFVHRO-CYBMUJFWSA-N -1 3 375.454 0.859 20 30 GCEDHM C[C@H](CC(=O)NCCOC[C@H]1CCOC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742656320 1201805212 /nfs/dbraw/zinc/80/52/12/1201805212.db2.gz RCAFBKHZODFYNQ-KGLIPLIRSA-N -1 3 395.481 0.673 20 30 GCEDHM C[C@@H](CC(=O)NCC1(C(N)=O)CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742685170 1201805929 /nfs/dbraw/zinc/80/59/29/1201805929.db2.gz YSOCKHUHFGOJJQ-LBPRGKRZSA-N -1 3 392.481 0.666 20 30 GCEDHM COC(=O)[C@](C)(NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CC1 ZINC000742689603 1201805976 /nfs/dbraw/zinc/80/59/76/1201805976.db2.gz MFNHHUGOHHTVJC-ADLMAVQZSA-N -1 3 393.465 0.962 20 30 GCEDHM C[C@H](CC(=O)N(C)[C@@H]1CCN(C)C1=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742695390 1201805987 /nfs/dbraw/zinc/80/59/87/1201805987.db2.gz UHDDUYSVAAMGFY-DGCLKSJQSA-N -1 3 378.454 0.193 20 30 GCEDHM C[C@H](CC(=O)Nc1cc(C(N)=O)n(C)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743301316 1201816249 /nfs/dbraw/zinc/81/62/49/1201816249.db2.gz BWYSONXVNVPMRW-SNVBAGLBSA-N -1 3 389.437 0.580 20 30 GCEDHM COC[C@](C)(O)CNC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743770151 1201823573 /nfs/dbraw/zinc/82/35/73/1201823573.db2.gz QFGLYCVQYNOCOJ-RDTXWAMCSA-N -1 3 397.497 0.653 20 30 GCEDHM C[C@H](CC(=O)OCCN1CCOC1=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744145475 1201836932 /nfs/dbraw/zinc/83/69/32/1201836932.db2.gz WOGDLRHNVQEYSF-LLVKDONJSA-N -1 3 381.410 0.499 20 30 GCEDHM C=CCNC(=O)[C@H](C)OC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745497185 1201879876 /nfs/dbraw/zinc/87/98/76/1201879876.db2.gz PIMQFARODBNNFO-NEPJUHHUSA-N -1 3 379.438 0.738 20 30 GCEDHM CC[C@H](C)NC(=O)COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745498335 1201879915 /nfs/dbraw/zinc/87/99/15/1201879915.db2.gz WGNRNOKDHMOGKK-RYUDHWBXSA-N -1 3 381.454 0.962 20 30 GCEDHM CCCCn1nnnc1COC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000746014902 1201895460 /nfs/dbraw/zinc/89/54/60/1201895460.db2.gz PSCQCGMUUOOAEO-UHFFFAOYSA-N -1 3 378.414 0.255 20 30 GCEDHM C#CCN1CCN(C(=O)C2([N-]S(=O)(=O)c3c(C)noc3C)CCCC2)CC1 ZINC000746257724 1201905035 /nfs/dbraw/zinc/90/50/35/1201905035.db2.gz FMLMUNKCFKBTJM-UHFFFAOYSA-N -1 3 394.497 0.660 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N[C@H](CO)[C@@H](O)C1CCCCC1 ZINC001169417777 1201946685 /nfs/dbraw/zinc/94/66/85/1201946685.db2.gz YBSJMOMPTDVWAL-PBHICJAKSA-N -1 3 395.481 0.143 20 30 GCEDHM COC(=O)c1cc([N-]c2c(C#N)cnn2C(=O)OC)nc(S(C)(=O)=O)n1 ZINC001169962607 1201960369 /nfs/dbraw/zinc/96/03/69/1201960369.db2.gz VTGBBTMGSLIQRR-UHFFFAOYSA-N -1 3 380.342 0.093 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@H]1CCCNC1=O ZINC000767240443 1201968628 /nfs/dbraw/zinc/96/86/28/1201968628.db2.gz OCXSHKBBSAFFGV-KBPBESRZSA-N -1 3 393.465 0.962 20 30 GCEDHM CCOCCS(=O)(=O)[N-]CC(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000767375634 1201971343 /nfs/dbraw/zinc/97/13/43/1201971343.db2.gz HWGCCFSRNXXTTI-OAHLLOKOSA-N -1 3 395.437 0.163 20 30 GCEDHM C[C@H](O)C[C@@H]1COCCN1C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000768552664 1202023198 /nfs/dbraw/zinc/02/31/98/1202023198.db2.gz LOQJZQAQHDPQDT-MELADBBJSA-N -1 3 395.481 0.502 20 30 GCEDHM CCOC(=O)c1nnc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)s1 ZINC000768888505 1202036831 /nfs/dbraw/zinc/03/68/31/1202036831.db2.gz CRANJINNHVFPRO-UHFFFAOYSA-N -1 3 395.422 0.392 20 30 GCEDHM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1=O ZINC000769846582 1202076639 /nfs/dbraw/zinc/07/66/39/1202076639.db2.gz PSVAKFPDYRPETM-MRXNPFEDSA-N -1 3 393.425 0.244 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2nnnn2CC2CC2)ccc1F ZINC000770079848 1202084007 /nfs/dbraw/zinc/08/40/07/1202084007.db2.gz JAZOQXIXMQUTPD-UHFFFAOYSA-N -1 3 394.432 0.617 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N[C@H](CO)c1c(F)cccc1F ZINC000771070373 1202123051 /nfs/dbraw/zinc/12/30/51/1202123051.db2.gz MOHTUCUTCFWIOD-CYBMUJFWSA-N -1 3 395.387 0.853 20 30 GCEDHM C[C@H](CC(=O)N[C@@H](CO)CC(F)(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000771195711 1202127726 /nfs/dbraw/zinc/12/77/26/1202127726.db2.gz DTMFCRYEKXWGJG-NXEZZACHSA-N -1 3 393.387 0.933 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](O)COCC2CC2)ccc1F ZINC000771598884 1202150322 /nfs/dbraw/zinc/15/03/22/1202150322.db2.gz WZYGRRACKHSLMP-CQSZACIVSA-N -1 3 386.445 0.807 20 30 GCEDHM CCOC(=O)CON=C(C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cc[nH]n1 ZINC000772225884 1202176811 /nfs/dbraw/zinc/17/68/11/1202176811.db2.gz JITQINXZHYQHLT-UHFFFAOYSA-N -1 3 398.383 0.190 20 30 GCEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCc1nnn(C)n1 ZINC000787853660 1205404901 /nfs/dbraw/zinc/40/49/01/1205404901.db2.gz HMEYVVLTUPOYIW-GFCCVEGCSA-N -1 3 391.457 0.124 20 30 GCEDHM CC(=O)Nc1ccc(CNC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cn1 ZINC000788782258 1205430240 /nfs/dbraw/zinc/43/02/40/1205430240.db2.gz GKBGYIHIAFVZRR-UHFFFAOYSA-N -1 3 387.421 0.395 20 30 GCEDHM COC[C@H](NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)[C@H]1CCCO1 ZINC000790271554 1205461751 /nfs/dbraw/zinc/46/17/51/1205461751.db2.gz PWFUTJNWUXRLJO-AEGPPILISA-N -1 3 395.481 0.814 20 30 GCEDHM CC(C)OC(=O)CC[C@H](C)NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000792597062 1205490056 /nfs/dbraw/zinc/49/00/56/1205490056.db2.gz FVXRVYGKRDLHNU-LBPRGKRZSA-N -1 3 381.454 0.962 20 30 GCEDHM C[C@H](CC(=O)O[C@@H]1C(=O)OCC1(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000793298321 1205497627 /nfs/dbraw/zinc/49/76/27/1205497627.db2.gz YZRJLVNONXZBDE-QMTHXVAHSA-N -1 3 380.422 0.999 20 30 GCEDHM C[C@@H](CC(=O)N1CCC(OCCO)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000772832757 1205498906 /nfs/dbraw/zinc/49/89/06/1205498906.db2.gz JEEXGKJUADNNPN-ZDUSSCGKSA-N -1 3 395.481 0.504 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2nc(N(C)C)no2)ccc1F ZINC000793851404 1205507766 /nfs/dbraw/zinc/50/77/66/1205507766.db2.gz BYOQKISRSMGYMG-UHFFFAOYSA-N -1 3 383.405 0.669 20 30 GCEDHM CN1C(=O)CN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)[C@H]1c1ccccc1 ZINC000793927229 1205509688 /nfs/dbraw/zinc/50/96/88/1205509688.db2.gz HIRSKDUJYKPEAF-IBGZPJMESA-N -1 3 398.444 0.725 20 30 GCEDHM CC(=O)N1CCC[C@@H](CNC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000794022782 1205511192 /nfs/dbraw/zinc/51/11/92/1205511192.db2.gz LWKIGOPFEVYBQT-ZDUSSCGKSA-N -1 3 378.454 0.100 20 30 GCEDHM CCn1ncnc1CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000794231388 1205512452 /nfs/dbraw/zinc/51/24/52/1205512452.db2.gz BNRZRDQTKQERKP-NSHDSACASA-N -1 3 376.442 0.432 20 30 GCEDHM C[C@H](CC(=O)N1CC[C@H](CC(N)=O)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000807911010 1205594148 /nfs/dbraw/zinc/59/41/48/1205594148.db2.gz HMFOXBWMLOEWCX-VXGBXAGGSA-N -1 3 378.454 0.228 20 30 GCEDHM Cn1ncc2ccc(CNC(=O)C/N=C3/[N-]S(=O)(=O)c4ccccc43)cc21 ZINC000812547908 1205665721 /nfs/dbraw/zinc/66/57/21/1205665721.db2.gz AYHUVYSKNUMSIM-UHFFFAOYSA-N -1 3 383.433 0.928 20 30 GCEDHM C=C[C@@H]1C[C@]1(Nc1ccc2c(n1)OCCNC2)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001170743148 1205690382 /nfs/dbraw/zinc/69/03/82/1205690382.db2.gz YSOAMABMKWCCAO-SJKOYZFVSA-N -1 3 378.454 0.529 20 30 GCEDHM COc1cc(N(C([O-])=C(C)C#N)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001179895611 1205815618 /nfs/dbraw/zinc/81/56/18/1205815618.db2.gz SDUZWTSTZHKLNH-SNVBAGLBSA-N -1 3 391.409 0.958 20 30 GCEDHM N#CCc1nn(-c2ccccc2)c(NC(=O)Cn2cc(F)c(=O)[n-]c2=O)c1C#N ZINC001183655337 1205897896 /nfs/dbraw/zinc/89/78/96/1205897896.db2.gz SZARXYRRTZOFMO-UHFFFAOYSA-N -1 3 393.338 0.850 20 30 GCEDHM C=CCOC[C@H]1CCC[C@@]12CN(C(=O)Cn1cc(F)c(=O)[n-]c1=O)CCO2 ZINC001183655432 1205897903 /nfs/dbraw/zinc/89/79/03/1205897903.db2.gz ACFCWXPOTQBQIR-FZKQIMNGSA-N -1 3 381.404 0.688 20 30 GCEDHM COC[C@H](OC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OC ZINC000774752999 1205911875 /nfs/dbraw/zinc/91/18/75/1205911875.db2.gz QBMYXXAHOLHUKG-PWSUYJOCSA-N -1 3 384.410 0.235 20 30 GCEDHM C=CCn1cnc2nc(NS(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)[nH]c(=O)c21 ZINC001185642004 1205926315 /nfs/dbraw/zinc/92/63/15/1205926315.db2.gz LLUZMUXXYSZDLC-UHFFFAOYSA-N -1 3 399.396 0.699 20 30 GCEDHM C=CCn1cnc2nc(NS(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)[nH]c(=O)c21 ZINC001185642004 1205926316 /nfs/dbraw/zinc/92/63/16/1205926316.db2.gz LLUZMUXXYSZDLC-UHFFFAOYSA-N -1 3 399.396 0.699 20 30 GCEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)C1=O ZINC000774930502 1205929287 /nfs/dbraw/zinc/92/92/87/1205929287.db2.gz SVYDRDPBHFFTPB-LRDDRELGSA-N -1 3 390.506 0.969 20 30 GCEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCOCCOCCOCCO)c1 ZINC001190661543 1206040471 /nfs/dbraw/zinc/04/04/71/1206040471.db2.gz XVJAENUDGKJBIQ-UHFFFAOYSA-N -1 3 376.406 0.018 20 30 GCEDHM C#CC[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000819688667 945269684 /nfs/dbraw/zinc/26/96/84/945269684.db2.gz LTYNPEDDGCLIFY-NHYWBVRUSA-N -1 3 389.437 0.879 20 30 GCEDHM C#CC[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000819688667 945269690 /nfs/dbraw/zinc/26/96/90/945269690.db2.gz LTYNPEDDGCLIFY-NHYWBVRUSA-N -1 3 389.437 0.879 20 30 GCEDHM C#CC[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000819689310 945271079 /nfs/dbraw/zinc/27/10/79/945271079.db2.gz ZBEJJDPMIXOTJR-NHYWBVRUSA-N -1 3 389.437 0.879 20 30 GCEDHM C#CC[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000819689310 945271086 /nfs/dbraw/zinc/27/10/86/945271086.db2.gz ZBEJJDPMIXOTJR-NHYWBVRUSA-N -1 3 389.437 0.879 20 30 GCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1Cc2cnccc2NC1=O ZINC001571285965 945933028 /nfs/dbraw/zinc/93/30/28/945933028.db2.gz SWOXSPOHPUUING-XJKSGUPXSA-N -1 3 388.391 0.624 20 30 GCEDHM N#Cc1nccc(N2CC[C@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)CC[C@H]32)n1 ZINC001571295972 946179396 /nfs/dbraw/zinc/17/93/96/946179396.db2.gz KYGQHEZZJYITQG-SMDDNHRTSA-N -1 3 390.411 0.597 20 30 GCEDHM N#Cc1nccc(N2CC[C@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)CC[C@H]32)n1 ZINC001571295972 946179404 /nfs/dbraw/zinc/17/94/04/946179404.db2.gz KYGQHEZZJYITQG-SMDDNHRTSA-N -1 3 390.411 0.597 20 30 GCEDHM N#Cc1ccc(N2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)CC[C@@H]32)nn1 ZINC001571296145 946187565 /nfs/dbraw/zinc/18/75/65/946187565.db2.gz PBMDYLMPDGIKCO-ABAIWWIYSA-N -1 3 390.411 0.597 20 30 GCEDHM N#Cc1ccc(N2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)CC[C@@H]32)nn1 ZINC001571296145 946187572 /nfs/dbraw/zinc/18/75/72/946187572.db2.gz PBMDYLMPDGIKCO-ABAIWWIYSA-N -1 3 390.411 0.597 20 30 GCEDHM N#Cc1ccc(N2CC[C@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)CC[C@@H]32)nn1 ZINC001571296147 946187677 /nfs/dbraw/zinc/18/76/77/946187677.db2.gz PBMDYLMPDGIKCO-NHYWBVRUSA-N -1 3 390.411 0.597 20 30 GCEDHM N#Cc1ccc(N2CC[C@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)CC[C@@H]32)nn1 ZINC001571296147 946187684 /nfs/dbraw/zinc/18/76/84/946187684.db2.gz PBMDYLMPDGIKCO-NHYWBVRUSA-N -1 3 390.411 0.597 20 30 GCEDHM N#Cc1ccc(N2CC[C@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)CC[C@H]32)nn1 ZINC001571296148 946187704 /nfs/dbraw/zinc/18/77/04/946187704.db2.gz PBMDYLMPDGIKCO-XHDPSFHLSA-N -1 3 390.411 0.597 20 30 GCEDHM N#Cc1ccc(N2CC[C@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)CC[C@H]32)nn1 ZINC001571296148 946187711 /nfs/dbraw/zinc/18/77/11/946187711.db2.gz PBMDYLMPDGIKCO-XHDPSFHLSA-N -1 3 390.411 0.597 20 30 GCEDHM N#Cc1cc(-c2nnn[n-]2)c(S[C@H]2CCN(C3CCOCC3)C2=O)nc1N ZINC000822819607 946196211 /nfs/dbraw/zinc/19/62/11/946196211.db2.gz XXNOUTTUPXGBBG-LBPRGKRZSA-N -1 3 386.441 0.588 20 30 GCEDHM N#Cc1cc(-c2nn[n-]n2)c(S[C@H]2CCN(C3CCOCC3)C2=O)nc1N ZINC000822819607 946196216 /nfs/dbraw/zinc/19/62/16/946196216.db2.gz XXNOUTTUPXGBBG-LBPRGKRZSA-N -1 3 386.441 0.588 20 30 GCEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1S[C@H]1CCN(C2CCOCC2)C1=O ZINC000822819726 946197669 /nfs/dbraw/zinc/19/76/69/946197669.db2.gz ZMXDKDZHIHZAEY-LBPRGKRZSA-N -1 3 386.441 0.588 20 30 GCEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1S[C@H]1CCN(C2CCOCC2)C1=O ZINC000822819726 946197676 /nfs/dbraw/zinc/19/76/76/946197676.db2.gz ZMXDKDZHIHZAEY-LBPRGKRZSA-N -1 3 386.441 0.588 20 30 GCEDHM N#Cc1cccc(CN2CCO[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571309713 946451732 /nfs/dbraw/zinc/45/17/32/946451732.db2.gz IMBSXZSTGXJWKF-INIZCTEOSA-N -1 3 392.423 0.697 20 30 GCEDHM N#Cc1cccc(CN2CCO[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571309713 946451738 /nfs/dbraw/zinc/45/17/38/946451738.db2.gz IMBSXZSTGXJWKF-INIZCTEOSA-N -1 3 392.423 0.697 20 30 GCEDHM N#Cc1ccc(C(=O)NC[C@H]2COCCN2Cc2cccc(-c3nnn[n-]3)c2)[nH]1 ZINC001571309897 946458217 /nfs/dbraw/zinc/45/82/17/946458217.db2.gz OYUCMVFKVKJGRD-INIZCTEOSA-N -1 3 392.423 0.697 20 30 GCEDHM N#Cc1ccc(C(=O)NC[C@H]2COCCN2Cc2cccc(-c3nn[n-]n3)c2)[nH]1 ZINC001571309897 946458226 /nfs/dbraw/zinc/45/82/26/946458226.db2.gz OYUCMVFKVKJGRD-INIZCTEOSA-N -1 3 392.423 0.697 20 30 GCEDHM C#CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1 ZINC001573280319 946658486 /nfs/dbraw/zinc/65/84/86/946658486.db2.gz PBTIANKJFJPGDD-STQMWFEESA-N -1 3 379.424 0.814 20 30 GCEDHM C#CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1 ZINC001573280319 946658491 /nfs/dbraw/zinc/65/84/91/946658491.db2.gz PBTIANKJFJPGDD-STQMWFEESA-N -1 3 379.424 0.814 20 30 GCEDHM C#CCN(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[C@H]1COCCO1 ZINC001573284014 946732050 /nfs/dbraw/zinc/73/20/50/946732050.db2.gz ZCIBMYRSDNGLGW-HNNXBMFYSA-N -1 3 380.412 0.610 20 30 GCEDHM C#CCN(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C[C@H]1COCCO1 ZINC001573284014 946732056 /nfs/dbraw/zinc/73/20/56/946732056.db2.gz ZCIBMYRSDNGLGW-HNNXBMFYSA-N -1 3 380.412 0.610 20 30 GCEDHM C#CCCCCC(=O)N1C[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C1 ZINC001573284341 946742400 /nfs/dbraw/zinc/74/24/00/946742400.db2.gz ZOZDCHAIJRKQTC-GASCZTMLSA-N -1 3 381.440 0.919 20 30 GCEDHM C#CCCCCC(=O)N1C[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C1 ZINC001573284341 946742408 /nfs/dbraw/zinc/74/24/08/946742408.db2.gz ZOZDCHAIJRKQTC-GASCZTMLSA-N -1 3 381.440 0.919 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001573284873 946759579 /nfs/dbraw/zinc/75/95/79/946759579.db2.gz ACEZDVVNFUZCQD-NXOAAHMSSA-N -1 3 392.467 0.158 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001573284873 946759584 /nfs/dbraw/zinc/75/95/84/946759584.db2.gz ACEZDVVNFUZCQD-NXOAAHMSSA-N -1 3 392.467 0.158 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573285099 946767998 /nfs/dbraw/zinc/76/79/98/946767998.db2.gz CVZIYDWFRQQZHE-KBPBESRZSA-N -1 3 381.444 0.157 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573285099 946768006 /nfs/dbraw/zinc/76/80/06/946768006.db2.gz CVZIYDWFRQQZHE-KBPBESRZSA-N -1 3 381.444 0.157 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573285113 946768615 /nfs/dbraw/zinc/76/86/15/946768615.db2.gz DFIFIFUBWDOVBR-KRWDZBQOSA-N -1 3 383.431 0.404 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573285652 946785998 /nfs/dbraw/zinc/78/59/98/946785998.db2.gz KKYJRFIMCHNKOK-HNNXBMFYSA-N -1 3 383.460 0.039 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573285652 946786003 /nfs/dbraw/zinc/78/60/03/946786003.db2.gz KKYJRFIMCHNKOK-HNNXBMFYSA-N -1 3 383.460 0.039 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1C ZINC001573285798 946787185 /nfs/dbraw/zinc/78/71/85/946787185.db2.gz NYZBFVAQBDQIFH-BMFZPTHFSA-N -1 3 380.456 0.300 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1C ZINC001573285798 946787190 /nfs/dbraw/zinc/78/71/90/946787190.db2.gz NYZBFVAQBDQIFH-BMFZPTHFSA-N -1 3 380.456 0.300 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N(C)CCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573285785 946787784 /nfs/dbraw/zinc/78/77/84/946787784.db2.gz NNZUXDIKAGNLAB-AWEZNQCLSA-N -1 3 388.863 0.883 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NCC1=CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573286009 946791723 /nfs/dbraw/zinc/79/17/23/946791723.db2.gz RJVNIYJCYXHNBJ-SFHVURJKSA-N -1 3 392.467 0.612 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NCC1=CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573286009 946791735 /nfs/dbraw/zinc/79/17/35/946791735.db2.gz RJVNIYJCYXHNBJ-SFHVURJKSA-N -1 3 392.467 0.612 20 30 GCEDHM C#CCO[C@H](C)C(=O)N(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573286091 946794013 /nfs/dbraw/zinc/79/40/13/946794013.db2.gz TVHMAOZPTZNXRJ-IAQYHMDHSA-N -1 3 385.428 0.200 20 30 GCEDHM C#CCO[C@H](C)C(=O)N(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573286091 946794019 /nfs/dbraw/zinc/79/40/19/946794019.db2.gz TVHMAOZPTZNXRJ-IAQYHMDHSA-N -1 3 385.428 0.200 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573286082 946794623 /nfs/dbraw/zinc/79/46/23/946794623.db2.gz SZCNAXJJQDKVFT-HZSPNIEDSA-N -1 3 399.455 0.448 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573286082 946794632 /nfs/dbraw/zinc/79/46/32/946794632.db2.gz SZCNAXJJQDKVFT-HZSPNIEDSA-N -1 3 399.455 0.448 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573286360 946801673 /nfs/dbraw/zinc/80/16/73/946801673.db2.gz ZOBYGMFYWNZFGH-ZBFHGGJFSA-N -1 3 380.456 0.762 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573286360 946801685 /nfs/dbraw/zinc/80/16/85/946801685.db2.gz ZOBYGMFYWNZFGH-ZBFHGGJFSA-N -1 3 380.456 0.762 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](C)C1 ZINC001573286378 946805965 /nfs/dbraw/zinc/80/59/65/946805965.db2.gz ABNIENCDYLMNOK-JSGCOSHPSA-N -1 3 385.428 0.202 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](C)C1 ZINC001573286378 946805971 /nfs/dbraw/zinc/80/59/71/946805971.db2.gz ABNIENCDYLMNOK-JSGCOSHPSA-N -1 3 385.428 0.202 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573286889 946819968 /nfs/dbraw/zinc/81/99/68/946819968.db2.gz JOWULPABMRJQKW-HNNXBMFYSA-N -1 3 383.456 0.976 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573286889 946819985 /nfs/dbraw/zinc/81/99/85/946819985.db2.gz JOWULPABMRJQKW-HNNXBMFYSA-N -1 3 383.456 0.976 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NC[C@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC001573286977 946823963 /nfs/dbraw/zinc/82/39/63/946823963.db2.gz JPUXFOJIUAPTSV-HOCLYGCPSA-N -1 3 384.440 0.222 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NC[C@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC001573286977 946823968 /nfs/dbraw/zinc/82/39/68/946823968.db2.gz JPUXFOJIUAPTSV-HOCLYGCPSA-N -1 3 384.440 0.222 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nc1 ZINC001573287183 946829136 /nfs/dbraw/zinc/82/91/36/946829136.db2.gz GIVRARUTTIGERJ-RISCZKNCSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nc1 ZINC001573287183 946829156 /nfs/dbraw/zinc/82/91/56/946829156.db2.gz GIVRARUTTIGERJ-RISCZKNCSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1ccc(C(=O)N(CCO)CCNc2nc(C)ccc2-c2nnn[n-]2)nc1 ZINC001573287306 946831782 /nfs/dbraw/zinc/83/17/82/946831782.db2.gz AYCXXOOVHGFWAY-UHFFFAOYSA-N -1 3 392.423 0.493 20 30 GCEDHM C#Cc1ccc(C(=O)N(CCO)CCNc2nc(C)ccc2-c2nn[n-]n2)nc1 ZINC001573287306 946831791 /nfs/dbraw/zinc/83/17/91/946831791.db2.gz AYCXXOOVHGFWAY-UHFFFAOYSA-N -1 3 392.423 0.493 20 30 GCEDHM C#Cc1ccc(C(=O)NC2CC(N(C)C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001573287266 946833549 /nfs/dbraw/zinc/83/35/49/946833549.db2.gz HBBHMODCMDVPIX-UHFFFAOYSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1ccc(C(=O)NC2CC(N(C)C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001573287266 946833560 /nfs/dbraw/zinc/83/35/60/946833560.db2.gz HBBHMODCMDVPIX-UHFFFAOYSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1ccc(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCC2)cn1 ZINC001573287504 946836960 /nfs/dbraw/zinc/83/69/60/946836960.db2.gz IVSIQYLSSZJXPJ-UHFFFAOYSA-N -1 3 390.407 0.654 20 30 GCEDHM C#Cc1ccc(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCC2)cn1 ZINC001573287504 946836965 /nfs/dbraw/zinc/83/69/65/946836965.db2.gz IVSIQYLSSZJXPJ-UHFFFAOYSA-N -1 3 390.407 0.654 20 30 GCEDHM C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nc1 ZINC001573287921 946850703 /nfs/dbraw/zinc/85/07/03/946850703.db2.gz LZUDSKYMASIDBF-BDJLRTHQSA-N -1 3 390.407 0.462 20 30 GCEDHM C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nc1 ZINC001573287921 946850714 /nfs/dbraw/zinc/85/07/14/946850714.db2.gz LZUDSKYMASIDBF-BDJLRTHQSA-N -1 3 390.407 0.462 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@@H](O)CNc2cccc(F)c2-c2nnn[n-]2)cn1 ZINC001573288066 946855598 /nfs/dbraw/zinc/85/55/98/946855598.db2.gz MKNBIWTZHZPVLL-ZDUSSCGKSA-N -1 3 381.371 0.585 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@@H](O)CNc2cccc(F)c2-c2nn[n-]n2)cn1 ZINC001573288066 946855610 /nfs/dbraw/zinc/85/56/10/946855610.db2.gz MKNBIWTZHZPVLL-ZDUSSCGKSA-N -1 3 381.371 0.585 20 30 GCEDHM C#CCOCCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573288696 946875539 /nfs/dbraw/zinc/87/55/39/946875539.db2.gz XZSDRFGXHHOJPU-QWHCGFSZSA-N -1 3 385.428 0.059 20 30 GCEDHM C#CCOCCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573288696 946875556 /nfs/dbraw/zinc/87/55/56/946875556.db2.gz XZSDRFGXHHOJPU-QWHCGFSZSA-N -1 3 385.428 0.059 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21 ZINC001573288707 946875686 /nfs/dbraw/zinc/87/56/86/946875686.db2.gz YAPJCSZHEOZMPY-DOERSZECSA-N -1 3 385.403 0.238 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21 ZINC001573288707 946875697 /nfs/dbraw/zinc/87/56/97/946875697.db2.gz YAPJCSZHEOZMPY-DOERSZECSA-N -1 3 385.403 0.238 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@@H](O)CNc2snc(C)c2-c2nnn[n-]2)nc1 ZINC001573289500 946885999 /nfs/dbraw/zinc/88/59/99/946885999.db2.gz ZRASHZLSFZDFTH-LLVKDONJSA-N -1 3 384.425 0.211 20 30 GCEDHM C#Cc1ccc(C(=O)NC2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nc1 ZINC001573289361 946886009 /nfs/dbraw/zinc/88/60/09/946886009.db2.gz YIFCOVGFGNMCAC-UHFFFAOYSA-N -1 3 390.407 0.510 20 30 GCEDHM C#Cc1ccc(C(=O)NC2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nc1 ZINC001573289361 946886017 /nfs/dbraw/zinc/88/60/17/946886017.db2.gz YIFCOVGFGNMCAC-UHFFFAOYSA-N -1 3 390.407 0.510 20 30 GCEDHM C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001573289726 946891035 /nfs/dbraw/zinc/89/10/35/946891035.db2.gz PMMUFGABJGJDRA-JSGCOSHPSA-N -1 3 385.428 0.059 20 30 GCEDHM C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001573289726 946891049 /nfs/dbraw/zinc/89/10/49/946891049.db2.gz PMMUFGABJGJDRA-JSGCOSHPSA-N -1 3 385.428 0.059 20 30 GCEDHM C#Cc1cncc(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)c(C)n2)c1 ZINC001573289825 946896510 /nfs/dbraw/zinc/89/65/10/946896510.db2.gz DRCCOHUCLDVANP-UHFFFAOYSA-N -1 3 392.423 0.493 20 30 GCEDHM C#Cc1cncc(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)c(C)n2)c1 ZINC001573289825 946896523 /nfs/dbraw/zinc/89/65/23/946896523.db2.gz DRCCOHUCLDVANP-UHFFFAOYSA-N -1 3 392.423 0.493 20 30 GCEDHM C#Cc1ccccc1CC(=O)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573291008 946915631 /nfs/dbraw/zinc/91/56/31/946915631.db2.gz VFTXVSDAMOGLNN-UHFFFAOYSA-N -1 3 391.435 0.949 20 30 GCEDHM C#Cc1ccccc1CC(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573291008 946915635 /nfs/dbraw/zinc/91/56/35/946915635.db2.gz VFTXVSDAMOGLNN-UHFFFAOYSA-N -1 3 391.435 0.949 20 30 GCEDHM C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)c1 ZINC001573291345 946917696 /nfs/dbraw/zinc/91/76/96/946917696.db2.gz BCZBSCFPBQQJGU-NHYWBVRUSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)c1 ZINC001573291345 946917701 /nfs/dbraw/zinc/91/77/01/946917701.db2.gz BCZBSCFPBQQJGU-NHYWBVRUSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1cncc(C(=O)NC[C@@H]2CCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001573292650 946938016 /nfs/dbraw/zinc/93/80/16/946938016.db2.gz ZDTFGUVNXDXQFP-HNNXBMFYSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1cncc(C(=O)NC[C@@H]2CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001573292650 946938022 /nfs/dbraw/zinc/93/80/22/946938022.db2.gz ZDTFGUVNXDXQFP-HNNXBMFYSA-N -1 3 390.407 0.606 20 30 GCEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001573293473 946958791 /nfs/dbraw/zinc/95/87/91/946958791.db2.gz XKGBRPSEVLEOGT-RISCZKNCSA-N -1 3 387.444 0.489 20 30 GCEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001573293473 946958795 /nfs/dbraw/zinc/95/87/95/946958795.db2.gz XKGBRPSEVLEOGT-RISCZKNCSA-N -1 3 387.444 0.489 20 30 GCEDHM C=C(C)CN1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)c1nccn12 ZINC001573294103 946978451 /nfs/dbraw/zinc/97/84/51/946978451.db2.gz UMVLBGYVIUXOPZ-CQSZACIVSA-N -1 3 379.428 0.853 20 30 GCEDHM C=C(Cl)CN1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c(-c3nnn[n-]3)c1)O2 ZINC001573294384 946987957 /nfs/dbraw/zinc/98/79/57/946987957.db2.gz ANEKEYUPNMLMER-GFCCVEGCSA-N -1 3 377.836 0.911 20 30 GCEDHM C=C(Cl)CN1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c(-c3nn[n-]n3)c1)O2 ZINC001573294384 946987965 /nfs/dbraw/zinc/98/79/65/946987965.db2.gz ANEKEYUPNMLMER-GFCCVEGCSA-N -1 3 377.836 0.911 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(c1ncccc1-c1nnn[n-]1)CCO2 ZINC001573564645 946993909 /nfs/dbraw/zinc/99/39/09/946993909.db2.gz JYASNSIKAITHPL-ZDUSSCGKSA-N -1 3 382.428 0.619 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(c1ncccc1-c1nn[n-]n1)CCO2 ZINC001573564645 946993916 /nfs/dbraw/zinc/99/39/16/946993916.db2.gz JYASNSIKAITHPL-ZDUSSCGKSA-N -1 3 382.428 0.619 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573564483 946994078 /nfs/dbraw/zinc/99/40/78/946994078.db2.gz JDQJBVDNSRQEIH-SGTLLEGYSA-N -1 3 382.428 0.809 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573294970 947004299 /nfs/dbraw/zinc/00/42/99/947004299.db2.gz MWCSQWPQEHNFKS-DZKIICNBSA-N -1 3 399.455 0.897 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573294970 947004311 /nfs/dbraw/zinc/00/43/11/947004311.db2.gz MWCSQWPQEHNFKS-DZKIICNBSA-N -1 3 399.455 0.897 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001573565837 947015053 /nfs/dbraw/zinc/01/50/53/947015053.db2.gz WOXFBZQFGOHWNH-KZULUSFZSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001573565837 947015061 /nfs/dbraw/zinc/01/50/61/947015061.db2.gz WOXFBZQFGOHWNH-KZULUSFZSA-N -1 3 382.428 0.809 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573295390 947016187 /nfs/dbraw/zinc/01/61/87/947016187.db2.gz PXXSHQSSYYPCGS-XFMPKHEZSA-N -1 3 385.428 0.553 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573295390 947016199 /nfs/dbraw/zinc/01/61/99/947016199.db2.gz PXXSHQSSYYPCGS-XFMPKHEZSA-N -1 3 385.428 0.553 20 30 GCEDHM C=C(Cl)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573295409 947016675 /nfs/dbraw/zinc/01/66/75/947016675.db2.gz QFAATBSNHNXRAA-SNVBAGLBSA-N -1 3 381.824 0.180 20 30 GCEDHM C=C(Cl)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573295409 947016689 /nfs/dbraw/zinc/01/66/89/947016689.db2.gz QFAATBSNHNXRAA-SNVBAGLBSA-N -1 3 381.824 0.180 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC(C2(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CC1 ZINC001573565957 947019245 /nfs/dbraw/zinc/01/92/45/947019245.db2.gz XMYHFUYMFBJFKD-NSHDSACASA-N -1 3 382.428 0.855 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573295471 947021210 /nfs/dbraw/zinc/02/12/10/947021210.db2.gz SAYPGMISWWTNKP-IPYPFGDCSA-N -1 3 385.428 0.507 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573295471 947021218 /nfs/dbraw/zinc/02/12/18/947021218.db2.gz SAYPGMISWWTNKP-IPYPFGDCSA-N -1 3 385.428 0.507 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC[C@]2(CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573566383 947025754 /nfs/dbraw/zinc/02/57/54/947025754.db2.gz CBOIXASVSMMDPK-SGTLLEGYSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CN(Cc1ccc(-c3nnn[n-]3)s1)CCO2 ZINC001573567275 947041483 /nfs/dbraw/zinc/04/14/83/947041483.db2.gz KZGQPCZRZLVRTO-YVEFUNNKSA-N -1 3 387.469 0.891 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CN(Cc1ccc(-c3nn[n-]n3)s1)CCO2 ZINC001573567275 947041492 /nfs/dbraw/zinc/04/14/92/947041492.db2.gz KZGQPCZRZLVRTO-YVEFUNNKSA-N -1 3 387.469 0.891 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC[C@@H](N(CCO)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573567525 947045566 /nfs/dbraw/zinc/04/55/66/947045566.db2.gz NZMZYYBDGTUFKH-DGCLKSJQSA-N -1 3 388.407 0.350 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC[C@@H](N(CCO)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573567525 947045577 /nfs/dbraw/zinc/04/55/77/947045577.db2.gz NZMZYYBDGTUFKH-DGCLKSJQSA-N -1 3 388.407 0.350 20 30 GCEDHM C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001573296450 947047751 /nfs/dbraw/zinc/04/77/51/947047751.db2.gz RAZMCNAWROYFMQ-HUUCEWRRSA-N -1 3 385.428 0.243 20 30 GCEDHM C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001573296450 947047766 /nfs/dbraw/zinc/04/77/66/947047766.db2.gz RAZMCNAWROYFMQ-HUUCEWRRSA-N -1 3 385.428 0.243 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC[C@@H](N(CCO)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573567646 947052818 /nfs/dbraw/zinc/05/28/18/947052818.db2.gz PYFUTRZLHNDJFM-CHWSQXEVSA-N -1 3 387.419 0.955 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC[C@@H](N(CCO)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573567646 947052831 /nfs/dbraw/zinc/05/28/31/947052831.db2.gz PYFUTRZLHNDJFM-CHWSQXEVSA-N -1 3 387.419 0.955 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001573567893 947060880 /nfs/dbraw/zinc/06/08/80/947060880.db2.gz UNLZRPJGRFAAPG-LBPRGKRZSA-N -1 3 382.428 0.809 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573300108 947104800 /nfs/dbraw/zinc/10/48/00/947104800.db2.gz OBKHDVSKNVWLFI-INIZCTEOSA-N -1 3 386.460 0.627 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573300108 947104807 /nfs/dbraw/zinc/10/48/07/947104807.db2.gz OBKHDVSKNVWLFI-INIZCTEOSA-N -1 3 386.460 0.627 20 30 GCEDHM C=C(C)CCC(=O)N1CCO[C@](C)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573300466 947113195 /nfs/dbraw/zinc/11/31/95/947113195.db2.gz QOZDYALMKJPSPD-GOSISDBHSA-N -1 3 387.444 0.898 20 30 GCEDHM C=C(C)CCC(=O)N1CCO[C@](C)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573300466 947113201 /nfs/dbraw/zinc/11/32/01/947113201.db2.gz QOZDYALMKJPSPD-GOSISDBHSA-N -1 3 387.444 0.898 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573573108 947119250 /nfs/dbraw/zinc/11/92/50/947119250.db2.gz MPHVXUBQRTVTIT-XIKOKIGWSA-N -1 3 387.419 0.609 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573300774 947122519 /nfs/dbraw/zinc/12/25/19/947122519.db2.gz UNJGMSCYFBKAOD-OAHLLOKOSA-N -1 3 386.460 0.911 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573300774 947122524 /nfs/dbraw/zinc/12/25/24/947122524.db2.gz UNJGMSCYFBKAOD-OAHLLOKOSA-N -1 3 386.460 0.911 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@H]1COC2(CN(Cc3cc(-c4nn[n-]n4)ccc3F)C2)C1 ZINC001573575613 947140425 /nfs/dbraw/zinc/14/04/25/947140425.db2.gz AEKUJVVRWZWFAR-FZMZJTMJSA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@H]1COC2(CN(Cc3cc(-c4nn[n-]n4)ccc3F)C2)C1 ZINC001573575620 947141444 /nfs/dbraw/zinc/14/14/44/947141444.db2.gz AEKUJVVRWZWFAR-SMDDNHRTSA-N -1 3 385.403 0.625 20 30 GCEDHM C=CC(C)(C)C(=O)NC[C@@]1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001573305073 947147188 /nfs/dbraw/zinc/14/71/88/947147188.db2.gz LVTDMPRNMIAOES-SFHVURJKSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CC(C)(C)C(=O)NC[C@@]1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001573305073 947147191 /nfs/dbraw/zinc/14/71/91/947147191.db2.gz LVTDMPRNMIAOES-SFHVURJKSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CC(C)(C)CC(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573305545 947156393 /nfs/dbraw/zinc/15/63/93/947156393.db2.gz RQCNOSASNYVUDC-GFCCVEGCSA-N -1 3 375.433 0.346 20 30 GCEDHM C=CC(C)(C)CC(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573305545 947156401 /nfs/dbraw/zinc/15/64/01/947156401.db2.gz RQCNOSASNYVUDC-GFCCVEGCSA-N -1 3 375.433 0.346 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2cc(-c3nn[n-]n3)ccc2F)CCO1 ZINC001573577487 947167987 /nfs/dbraw/zinc/16/79/87/947167987.db2.gz QHNWDOZVRAVOAZ-XIKOKIGWSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC001573577622 947169853 /nfs/dbraw/zinc/16/98/53/947169853.db2.gz RQHGCDJEWYJOAF-XIKOKIGWSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC001573577622 947169860 /nfs/dbraw/zinc/16/98/60/947169860.db2.gz RQHGCDJEWYJOAF-XIKOKIGWSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2ccc(-c3nnn[n-]3)cc2F)CCO1 ZINC001573577762 947172391 /nfs/dbraw/zinc/17/23/91/947172391.db2.gz SNIRLPMIZKOXFT-XIKOKIGWSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC001573577762 947172396 /nfs/dbraw/zinc/17/23/96/947172396.db2.gz SNIRLPMIZKOXFT-XIKOKIGWSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@H]1COC2(CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001573578036 947180545 /nfs/dbraw/zinc/18/05/45/947180545.db2.gz XMOBRPZGBQTIQC-AAEUAGOBSA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001573578036 947180552 /nfs/dbraw/zinc/18/05/52/947180552.db2.gz XMOBRPZGBQTIQC-AAEUAGOBSA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@H]1COC2(CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001573578037 947180845 /nfs/dbraw/zinc/18/08/45/947180845.db2.gz XMOBRPZGBQTIQC-DGCLKSJQSA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001573578037 947180849 /nfs/dbraw/zinc/18/08/49/947180849.db2.gz XMOBRPZGBQTIQC-DGCLKSJQSA-N -1 3 385.403 0.625 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CCN(Cc2cc(-c3nn[n-]n3)ccc2OC)CC1 ZINC001573308981 947188804 /nfs/dbraw/zinc/18/88/04/947188804.db2.gz APLQKVLVLBKAGG-IBGZPJMESA-N -1 3 386.456 0.847 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CC[C@@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573309016 947189782 /nfs/dbraw/zinc/18/97/82/947189782.db2.gz BDJDJGVOFZDRLG-ZWKOTPCHSA-N -1 3 387.444 0.490 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CC[C@@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573309016 947189788 /nfs/dbraw/zinc/18/97/88/947189788.db2.gz BDJDJGVOFZDRLG-ZWKOTPCHSA-N -1 3 387.444 0.490 20 30 GCEDHM C=C[C@](C)(O)CC(=O)NCC1(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573309355 947197543 /nfs/dbraw/zinc/19/75/43/947197543.db2.gz HJIOXMXLRSHOED-KRWDZBQOSA-N -1 3 387.444 0.538 20 30 GCEDHM C=C[C@](C)(O)CC(=O)NCC1(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573309355 947197555 /nfs/dbraw/zinc/19/75/55/947197555.db2.gz HJIOXMXLRSHOED-KRWDZBQOSA-N -1 3 387.444 0.538 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)NCC1(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573309356 947198895 /nfs/dbraw/zinc/19/88/95/947198895.db2.gz HJIOXMXLRSHOED-QGZVFWFLSA-N -1 3 387.444 0.538 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)NCC1(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573309356 947198899 /nfs/dbraw/zinc/19/88/99/947198899.db2.gz HJIOXMXLRSHOED-QGZVFWFLSA-N -1 3 387.444 0.538 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CC(C)C ZINC001573309446 947201022 /nfs/dbraw/zinc/20/10/22/947201022.db2.gz JAIDMUGBHXIZNH-KZULUSFZSA-N -1 3 389.460 0.783 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CC(C)C ZINC001573309446 947201032 /nfs/dbraw/zinc/20/10/32/947201032.db2.gz JAIDMUGBHXIZNH-KZULUSFZSA-N -1 3 389.460 0.783 20 30 GCEDHM C=C[C@](C)(O)CC(=O)NC[C@@H]1CCN1Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001573309616 947205911 /nfs/dbraw/zinc/20/59/11/947205911.db2.gz LONHTVFPLUEZHU-LIRRHRJNSA-N -1 3 386.456 0.893 20 30 GCEDHM C=C[C@](C)(O)CC(=O)NC[C@@H]1CCN1Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001573309616 947205921 /nfs/dbraw/zinc/20/59/21/947205921.db2.gz LONHTVFPLUEZHU-LIRRHRJNSA-N -1 3 386.456 0.893 20 30 GCEDHM C=C[C@@](C)(CCOC)C(=O)NC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573309781 947210462 /nfs/dbraw/zinc/21/04/62/947210462.db2.gz OIRLPIBYAWVDJM-GTNSWQLSSA-N -1 3 375.433 0.658 20 30 GCEDHM C=C[C@@](C)(CCOC)C(=O)NC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573309781 947210473 /nfs/dbraw/zinc/21/04/73/947210473.db2.gz OIRLPIBYAWVDJM-GTNSWQLSSA-N -1 3 375.433 0.658 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CCCO1 ZINC001573584292 947216427 /nfs/dbraw/zinc/21/64/27/947216427.db2.gz SQYJJRPWNGUHTO-TZMCWYRMSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@H](C#N)C(=O)NCCN1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001573584503 947225140 /nfs/dbraw/zinc/22/51/40/947225140.db2.gz WYVDZCQLPSUAMU-CYBMUJFWSA-N -1 3 386.435 0.399 20 30 GCEDHM CCOC(=O)c1cnn(CC(=O)Nc2ccc(CC#N)cc2)c1-c1nnn[n-]1 ZINC000825571197 947233903 /nfs/dbraw/zinc/23/39/03/947233903.db2.gz VCELCDXJDKVIHB-UHFFFAOYSA-N -1 3 380.368 0.945 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573584925 947237531 /nfs/dbraw/zinc/23/75/31/947237531.db2.gz HLPMHNJOBJBZBZ-QSGSBWRWSA-N -1 3 390.407 0.866 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573584925 947237541 /nfs/dbraw/zinc/23/75/41/947237541.db2.gz HLPMHNJOBJBZBZ-QSGSBWRWSA-N -1 3 390.407 0.866 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001573585289 947252865 /nfs/dbraw/zinc/25/28/65/947252865.db2.gz NKRGKMXSJHVCNM-FNFWKMNBSA-N -1 3 382.428 0.713 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001573585289 947252874 /nfs/dbraw/zinc/25/28/74/947252874.db2.gz NKRGKMXSJHVCNM-FNFWKMNBSA-N -1 3 382.428 0.713 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001573585491 947258801 /nfs/dbraw/zinc/25/88/01/947258801.db2.gz QGCKZOXFHLKCEC-PZROIBLQSA-N -1 3 382.428 0.713 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573585491 947258814 /nfs/dbraw/zinc/25/88/14/947258814.db2.gz QGCKZOXFHLKCEC-PZROIBLQSA-N -1 3 382.428 0.713 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573585609 947263630 /nfs/dbraw/zinc/26/36/30/947263630.db2.gz SWGVCXGAUAAJBU-AMKSKSKJSA-N -1 3 390.407 0.866 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573585609 947263647 /nfs/dbraw/zinc/26/36/47/947263647.db2.gz SWGVCXGAUAAJBU-AMKSKSKJSA-N -1 3 390.407 0.866 20 30 GCEDHM CCOc1ccc(OCCNC(=O)Cn2cnc(C#N)c2-c2nnn[n-]2)cc1 ZINC000825643724 947270540 /nfs/dbraw/zinc/27/05/40/947270540.db2.gz SIAZHXJHABAETL-UHFFFAOYSA-N -1 3 382.384 0.529 20 30 GCEDHM C=CCC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573319738 947334367 /nfs/dbraw/zinc/33/43/67/947334367.db2.gz PVTYXRCEBIVAPP-ZDUSSCGKSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CCC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573319738 947334379 /nfs/dbraw/zinc/33/43/79/947334379.db2.gz PVTYXRCEBIVAPP-ZDUSSCGKSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CCC(C)(C)C(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573320112 947344126 /nfs/dbraw/zinc/34/41/26/947344126.db2.gz UMYRLEDQHIFMLR-UHFFFAOYSA-N -1 3 387.444 0.490 20 30 GCEDHM C=CCC(C)(C)C(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573320112 947344137 /nfs/dbraw/zinc/34/41/37/947344137.db2.gz UMYRLEDQHIFMLR-UHFFFAOYSA-N -1 3 387.444 0.490 20 30 GCEDHM COC(=O)C(C(=O)Cn1cnc(C#N)c1-c1nnn[n-]1)=C1Nc2ccccc2N1 ZINC000826098614 947426375 /nfs/dbraw/zinc/42/63/75/947426375.db2.gz KALZPDSKCGNSJJ-UHFFFAOYSA-N -1 3 391.351 0.426 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N[C@@H](C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573335823 947490893 /nfs/dbraw/zinc/49/08/93/947490893.db2.gz FATFKHOOVZUWPA-NWDGAFQWSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N[C@@H](C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573335823 947490898 /nfs/dbraw/zinc/49/08/98/947490898.db2.gz FATFKHOOVZUWPA-NWDGAFQWSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001573336050 947498855 /nfs/dbraw/zinc/49/88/55/947498855.db2.gz HOGRSWSTNFYTAQ-DZGCQCFKSA-N -1 3 387.444 0.564 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001573336050 947498861 /nfs/dbraw/zinc/49/88/61/947498861.db2.gz HOGRSWSTNFYTAQ-DZGCQCFKSA-N -1 3 387.444 0.564 20 30 GCEDHM C=CCCOCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001573336231 947502955 /nfs/dbraw/zinc/50/29/55/947502955.db2.gz LJAXZEIDGDJUPO-ZSOGYDGISA-N -1 3 385.428 0.222 20 30 GCEDHM C=CCCOCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001573336231 947502963 /nfs/dbraw/zinc/50/29/63/947502963.db2.gz LJAXZEIDGDJUPO-ZSOGYDGISA-N -1 3 385.428 0.222 20 30 GCEDHM C=CCCOCC(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C ZINC001573336715 947508207 /nfs/dbraw/zinc/50/82/07/947508207.db2.gz QKIIATPSNXFXPQ-STQMWFEESA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCOCC(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001573336715 947508221 /nfs/dbraw/zinc/50/82/21/947508221.db2.gz QKIIATPSNXFXPQ-STQMWFEESA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCOCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001573336595 947508779 /nfs/dbraw/zinc/50/87/79/947508779.db2.gz PNZFGOCGKFRPLM-JSGCOSHPSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CCCOCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001573336595 947508786 /nfs/dbraw/zinc/50/87/86/947508786.db2.gz PNZFGOCGKFRPLM-JSGCOSHPSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573336784 947510602 /nfs/dbraw/zinc/51/06/02/947510602.db2.gz RAAZMXOTIKDBOR-TZMCWYRMSA-N -1 3 387.444 0.849 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573336784 947510610 /nfs/dbraw/zinc/51/06/10/947510610.db2.gz RAAZMXOTIKDBOR-TZMCWYRMSA-N -1 3 387.444 0.849 20 30 GCEDHM C=CCCn1cc(C(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)nn1 ZINC001573342448 947542801 /nfs/dbraw/zinc/54/28/01/947542801.db2.gz YOSWJFUOOAONPG-LBPRGKRZSA-N -1 3 380.416 0.756 20 30 GCEDHM C=CCCn1cc(C(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)nn1 ZINC001573342448 947542808 /nfs/dbraw/zinc/54/28/08/947542808.db2.gz YOSWJFUOOAONPG-LBPRGKRZSA-N -1 3 380.416 0.756 20 30 GCEDHM C=CCOCC(=O)NC[C@]1(C)CN(c2ncc(-c3nnn[n-]3)cc2F)CCO1 ZINC001573342799 947547642 /nfs/dbraw/zinc/54/76/42/947547642.db2.gz DVKRFCKGNFYBME-QGZVFWFLSA-N -1 3 391.407 0.315 20 30 GCEDHM C=CCOCC(=O)NC[C@]1(C)CN(c2ncc(-c3nn[n-]n3)cc2F)CCO1 ZINC001573342799 947547655 /nfs/dbraw/zinc/54/76/55/947547655.db2.gz DVKRFCKGNFYBME-QGZVFWFLSA-N -1 3 391.407 0.315 20 30 GCEDHM C=CCOCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573343028 947549575 /nfs/dbraw/zinc/54/95/75/947549575.db2.gz ILHNNQPYDIRIHT-LSDHHAIUSA-N -1 3 385.428 0.603 20 30 GCEDHM C=CCOCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573343028 947549590 /nfs/dbraw/zinc/54/95/90/947549590.db2.gz ILHNNQPYDIRIHT-LSDHHAIUSA-N -1 3 385.428 0.603 20 30 GCEDHM C=CCOCC(=O)N1CC[C@]2(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCC[C@@H]12 ZINC001573343074 947551705 /nfs/dbraw/zinc/55/17/05/947551705.db2.gz JACHQQZDUJQWFP-RDTXWAMCSA-N -1 3 385.428 0.651 20 30 GCEDHM C=CCOCC(=O)N1CC[C@]2(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCC[C@@H]12 ZINC001573343074 947551710 /nfs/dbraw/zinc/55/17/10/947551710.db2.gz JACHQQZDUJQWFP-RDTXWAMCSA-N -1 3 385.428 0.651 20 30 GCEDHM C=CCOCC(=O)N1CCC[C@H]1CCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573343125 947552281 /nfs/dbraw/zinc/55/22/81/947552281.db2.gz JRBPRUYCOGGSEO-CYBMUJFWSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCOCC(=O)N1CCC[C@H]1CCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573343125 947552289 /nfs/dbraw/zinc/55/22/89/947552289.db2.gz JRBPRUYCOGGSEO-CYBMUJFWSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCOCC(=O)N[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573343560 947559329 /nfs/dbraw/zinc/55/93/29/947559329.db2.gz QEYXMNDWASRSST-CYBMUJFWSA-N -1 3 375.433 0.658 20 30 GCEDHM C=CCOCC(=O)N[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573343560 947559340 /nfs/dbraw/zinc/55/93/40/947559340.db2.gz QEYXMNDWASRSST-CYBMUJFWSA-N -1 3 375.433 0.658 20 30 GCEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001573348396 947583631 /nfs/dbraw/zinc/58/36/31/947583631.db2.gz QDLYVTCLAQWIJK-MRXNPFEDSA-N -1 3 393.455 0.832 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573350252 947594930 /nfs/dbraw/zinc/59/49/30/947594930.db2.gz AXUGFKAYCRBRPQ-LZWOXQAQSA-N -1 3 399.455 0.849 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573350252 947594938 /nfs/dbraw/zinc/59/49/38/947594938.db2.gz AXUGFKAYCRBRPQ-LZWOXQAQSA-N -1 3 399.455 0.849 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001573350327 947594998 /nfs/dbraw/zinc/59/49/98/947594998.db2.gz CZLMYPHKNKOOJC-SUJAAXHWSA-N -1 3 381.440 0.651 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001573350327 947595004 /nfs/dbraw/zinc/59/50/04/947595004.db2.gz CZLMYPHKNKOOJC-SUJAAXHWSA-N -1 3 381.440 0.651 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@](C)(CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573350637 947599138 /nfs/dbraw/zinc/59/91/38/947599138.db2.gz HURJFHXRVQWKAO-FRIZHTMISA-N -1 3 399.455 0.801 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@](C)(CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573350637 947599146 /nfs/dbraw/zinc/59/91/46/947599146.db2.gz HURJFHXRVQWKAO-FRIZHTMISA-N -1 3 399.455 0.801 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573350544 947599426 /nfs/dbraw/zinc/59/94/26/947599426.db2.gz FWLHCBLQIKNYTE-BJJXKVORSA-N -1 3 399.455 0.754 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573350544 947599430 /nfs/dbraw/zinc/59/94/30/947599430.db2.gz FWLHCBLQIKNYTE-BJJXKVORSA-N -1 3 399.455 0.754 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573350978 947605108 /nfs/dbraw/zinc/60/51/08/947605108.db2.gz MPRDGULKHUHTJC-SNPRPXQTSA-N -1 3 387.444 0.657 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573350978 947605114 /nfs/dbraw/zinc/60/51/14/947605114.db2.gz MPRDGULKHUHTJC-SNPRPXQTSA-N -1 3 387.444 0.657 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C1 ZINC001573351887 947620905 /nfs/dbraw/zinc/62/09/05/947620905.db2.gz XDQZLNVJLLPVAX-IATRGZMQSA-N -1 3 397.439 0.316 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C1 ZINC001573351887 947620913 /nfs/dbraw/zinc/62/09/13/947620913.db2.gz XDQZLNVJLLPVAX-IATRGZMQSA-N -1 3 397.439 0.316 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573351886 947621011 /nfs/dbraw/zinc/62/10/11/947621011.db2.gz XCJQEFZBVMOGHX-HIFRSBDPSA-N -1 3 387.444 0.706 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573351886 947621018 /nfs/dbraw/zinc/62/10/18/947621018.db2.gz XCJQEFZBVMOGHX-HIFRSBDPSA-N -1 3 387.444 0.706 20 30 GCEDHM C=CCn1cc(C(=O)NCCCN(CC)c2ncccc2-c2nnn[n-]2)nn1 ZINC001573352042 947623084 /nfs/dbraw/zinc/62/30/84/947623084.db2.gz YTTLAZFFWPMDMK-UHFFFAOYSA-N -1 3 382.432 0.686 20 30 GCEDHM C=CCn1cc(C(=O)NCCCN(CC)c2ncccc2-c2nn[n-]n2)nn1 ZINC001573352042 947623095 /nfs/dbraw/zinc/62/30/95/947623095.db2.gz YTTLAZFFWPMDMK-UHFFFAOYSA-N -1 3 382.432 0.686 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)CCO1 ZINC001573352196 947628123 /nfs/dbraw/zinc/62/81/23/947628123.db2.gz YIKXTYFDZMAJDI-IMJJTQAJSA-N -1 3 399.455 0.483 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)CCO1 ZINC001573352196 947628136 /nfs/dbraw/zinc/62/81/36/947628136.db2.gz YIKXTYFDZMAJDI-IMJJTQAJSA-N -1 3 399.455 0.483 20 30 GCEDHM CC#CCCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001573358537 947663925 /nfs/dbraw/zinc/66/39/25/947663925.db2.gz LOHJVTHPNOOPAC-IUODEOHRSA-N -1 3 385.428 0.080 20 30 GCEDHM CC#CCCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001573358537 947663930 /nfs/dbraw/zinc/66/39/30/947663930.db2.gz LOHJVTHPNOOPAC-IUODEOHRSA-N -1 3 385.428 0.080 20 30 GCEDHM CC#CCCCC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573358608 947666744 /nfs/dbraw/zinc/66/67/44/947666744.db2.gz NBFOJSBYDWELQC-AWEZNQCLSA-N -1 3 385.428 0.346 20 30 GCEDHM CC#CCCCC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573358608 947666752 /nfs/dbraw/zinc/66/67/52/947666752.db2.gz NBFOJSBYDWELQC-AWEZNQCLSA-N -1 3 385.428 0.346 20 30 GCEDHM CC#CCCCC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001573359416 947685861 /nfs/dbraw/zinc/68/58/61/947685861.db2.gz SAMYGCOPXALQHC-ZSOGYDGISA-N -1 3 381.440 0.823 20 30 GCEDHM CC#CCCCC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001573359416 947685867 /nfs/dbraw/zinc/68/58/67/947685867.db2.gz SAMYGCOPXALQHC-ZSOGYDGISA-N -1 3 381.440 0.823 20 30 GCEDHM C[C@H](C(=O)N1CCO[C@H](c2ccc(-c3nnn[n-]3)cc2)C1)n1cnc(C#N)n1 ZINC001573644170 947869715 /nfs/dbraw/zinc/86/97/15/947869715.db2.gz ZFQREBLXWWBZAL-RISCZKNCSA-N -1 3 379.384 0.491 20 30 GCEDHM C[C@H](C(=O)N1CCO[C@H](c2ccc(-c3nn[n-]n3)cc2)C1)n1cnc(C#N)n1 ZINC001573644170 947869720 /nfs/dbraw/zinc/86/97/20/947869720.db2.gz ZFQREBLXWWBZAL-RISCZKNCSA-N -1 3 379.384 0.491 20 30 GCEDHM N#Cc1ncn(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c1-c1nnn[n-]1 ZINC000826388079 948192222 /nfs/dbraw/zinc/19/22/22/948192222.db2.gz HSJMULSFAXAFAX-UHFFFAOYSA-N -1 3 395.339 0.054 20 30 GCEDHM CC(C)(C)C#CC(=O)N1C[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C1 ZINC001573793076 949281838 /nfs/dbraw/zinc/28/18/38/949281838.db2.gz KGGWDXPKVFCELJ-OKILXGFUSA-N -1 3 381.440 0.775 20 30 GCEDHM CC(C)(C)C#CC(=O)N1C[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C1 ZINC001573793076 949281858 /nfs/dbraw/zinc/28/18/58/949281858.db2.gz KGGWDXPKVFCELJ-OKILXGFUSA-N -1 3 381.440 0.775 20 30 GCEDHM CC(C)(C)C#CC(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573793504 949297485 /nfs/dbraw/zinc/29/74/85/949297485.db2.gz SIHKZKYVFDSSQW-UHFFFAOYSA-N -1 3 383.456 0.759 20 30 GCEDHM CC(C)(C)C#CC(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573793504 949297501 /nfs/dbraw/zinc/29/75/01/949297501.db2.gz SIHKZKYVFDSSQW-UHFFFAOYSA-N -1 3 383.456 0.759 20 30 GCEDHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1CNc1ccnc(C#N)n1 ZINC001576168998 949657682 /nfs/dbraw/zinc/65/76/82/949657682.db2.gz DKNQPZOBGOKUCI-SMDDNHRTSA-N -1 3 392.427 0.631 20 30 GCEDHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1CNc1ccnc(C#N)n1 ZINC001576168998 949657694 /nfs/dbraw/zinc/65/76/94/949657694.db2.gz DKNQPZOBGOKUCI-SMDDNHRTSA-N -1 3 392.427 0.631 20 30 GCEDHM CC(C)(C)[C@H](CNc1ccnc(C#N)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573820334 949762453 /nfs/dbraw/zinc/76/24/53/949762453.db2.gz YAGCAXSYGLSUFR-LBPRGKRZSA-N -1 3 380.416 0.535 20 30 GCEDHM CC(C)(C)[C@H](CNc1ccnc(C#N)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573820334 949762469 /nfs/dbraw/zinc/76/24/69/949762469.db2.gz YAGCAXSYGLSUFR-LBPRGKRZSA-N -1 3 380.416 0.535 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575882824 949792087 /nfs/dbraw/zinc/79/20/87/949792087.db2.gz ATRXERTTZOYMKW-CABZTGNLSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575882824 949792100 /nfs/dbraw/zinc/79/21/00/949792100.db2.gz ATRXERTTZOYMKW-CABZTGNLSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575882828 949794134 /nfs/dbraw/zinc/79/41/34/949794134.db2.gz ATRXERTTZOYMKW-SKDRFNHKSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575882828 949794151 /nfs/dbraw/zinc/79/41/51/949794151.db2.gz ATRXERTTZOYMKW-SKDRFNHKSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575882897 949795875 /nfs/dbraw/zinc/79/58/75/949795875.db2.gz BOAPEOJOMPTLJO-TVQRCGJNSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575882897 949795895 /nfs/dbraw/zinc/79/58/95/949795895.db2.gz BOAPEOJOMPTLJO-TVQRCGJNSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575883921 949836475 /nfs/dbraw/zinc/83/64/75/949836475.db2.gz HKZRYDIPBNTOFA-NOZJJQNGSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575883921 949836500 /nfs/dbraw/zinc/83/65/00/949836500.db2.gz HKZRYDIPBNTOFA-NOZJJQNGSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575885057 949862260 /nfs/dbraw/zinc/86/22/60/949862260.db2.gz KFRAOKAWNXAYHG-SKDRFNHKSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575885057 949862283 /nfs/dbraw/zinc/86/22/83/949862283.db2.gz KFRAOKAWNXAYHG-SKDRFNHKSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575890196 949948487 /nfs/dbraw/zinc/94/84/87/949948487.db2.gz WCTYSBBUXLPDNZ-TVQRCGJNSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575890196 949948503 /nfs/dbraw/zinc/94/85/03/949948503.db2.gz WCTYSBBUXLPDNZ-TVQRCGJNSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575891290 949997800 /nfs/dbraw/zinc/99/78/00/949997800.db2.gz HMGCGVLJKLUHSP-ONGXEEELSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575891290 949997823 /nfs/dbraw/zinc/99/78/23/949997823.db2.gz HMGCGVLJKLUHSP-ONGXEEELSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575891694 950021180 /nfs/dbraw/zinc/02/11/80/950021180.db2.gz MTAXZLDZSVGORW-GXSJLCMTSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575891694 950021198 /nfs/dbraw/zinc/02/11/98/950021198.db2.gz MTAXZLDZSVGORW-GXSJLCMTSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001576191000 950181132 /nfs/dbraw/zinc/18/11/32/950181132.db2.gz FSRYVIVLGKWLDL-DGCLKSJQSA-N -1 3 392.427 0.489 20 30 GCEDHM C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001576191000 950181142 /nfs/dbraw/zinc/18/11/42/950181142.db2.gz FSRYVIVLGKWLDL-DGCLKSJQSA-N -1 3 392.427 0.489 20 30 GCEDHM C[C@@](CNc1ccc(C#N)nn1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575137289 952136081 /nfs/dbraw/zinc/13/60/81/952136081.db2.gz WDQARRCJAMZABH-KRWDZBQOSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@@](CNc1ccc(C#N)nn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575137289 952136085 /nfs/dbraw/zinc/13/60/85/952136085.db2.gz WDQARRCJAMZABH-KRWDZBQOSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@@](CNc1cncc(C#N)n1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575164993 952302162 /nfs/dbraw/zinc/30/21/62/952302162.db2.gz IVNORUPBAQTDNH-KRWDZBQOSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@@](CNc1cncc(C#N)n1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575164993 952302168 /nfs/dbraw/zinc/30/21/68/952302168.db2.gz IVNORUPBAQTDNH-KRWDZBQOSA-N -1 3 378.400 0.867 20 30 GCEDHM Cc1ccc(C#N)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001571114076 952449354 /nfs/dbraw/zinc/44/93/54/952449354.db2.gz AGTSTIYBFQRPSO-NHAGDIPZSA-N -1 3 375.396 0.635 20 30 GCEDHM Cc1ccc(C#N)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001571114076 952449358 /nfs/dbraw/zinc/44/93/58/952449358.db2.gz AGTSTIYBFQRPSO-NHAGDIPZSA-N -1 3 375.396 0.635 20 30 GCEDHM N#Cc1ccncc1N1CCN(C[C@@H](O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001571120694 952507725 /nfs/dbraw/zinc/50/77/25/952507725.db2.gz PQURRPCDTNNDLC-GOSISDBHSA-N -1 3 376.424 0.989 20 30 GCEDHM N#Cc1cncc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001571120821 952510190 /nfs/dbraw/zinc/51/01/90/952510190.db2.gz RFCXJVYYAIKWLO-TXEJJXNPSA-N -1 3 376.384 0.350 20 30 GCEDHM N#Cc1cncc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001571120821 952510199 /nfs/dbraw/zinc/51/01/99/952510199.db2.gz RFCXJVYYAIKWLO-TXEJJXNPSA-N -1 3 376.384 0.350 20 30 GCEDHM C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571124172 952534884 /nfs/dbraw/zinc/53/48/84/952534884.db2.gz AAENAKYCXJWLHU-BXUZGUMPSA-N -1 3 377.412 0.964 20 30 GCEDHM C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571124172 952534900 /nfs/dbraw/zinc/53/49/00/952534900.db2.gz AAENAKYCXJWLHU-BXUZGUMPSA-N -1 3 377.412 0.964 20 30 GCEDHM C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571124822 952545503 /nfs/dbraw/zinc/54/55/03/952545503.db2.gz VSQCXOHLCBRLQE-DGCLKSJQSA-N -1 3 377.412 0.964 20 30 GCEDHM C[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571124822 952545506 /nfs/dbraw/zinc/54/55/06/952545506.db2.gz VSQCXOHLCBRLQE-DGCLKSJQSA-N -1 3 377.412 0.964 20 30 GCEDHM C[C@@H]1C[C@H](Nc2cncc(C#N)n2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571135852 952608999 /nfs/dbraw/zinc/60/89/99/952608999.db2.gz GDWVMIPPLGTKJV-ZYHUDNBSSA-N -1 3 378.400 0.962 20 30 GCEDHM C[C@@H]1C[C@H](Nc2cncc(C#N)n2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571135852 952609000 /nfs/dbraw/zinc/60/90/00/952609000.db2.gz GDWVMIPPLGTKJV-ZYHUDNBSSA-N -1 3 378.400 0.962 20 30 GCEDHM CN(c1ccnc(C#N)n1)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571135832 952609074 /nfs/dbraw/zinc/60/90/74/952609074.db2.gz FPCGOZUIYAYPAB-UHFFFAOYSA-N -1 3 378.400 0.597 20 30 GCEDHM CN(c1ccnc(C#N)n1)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571135832 952609075 /nfs/dbraw/zinc/60/90/75/952609075.db2.gz FPCGOZUIYAYPAB-UHFFFAOYSA-N -1 3 378.400 0.597 20 30 GCEDHM CCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCN(c2ccc(C#N)nn2)C1 ZINC001571135907 952609774 /nfs/dbraw/zinc/60/97/74/952609774.db2.gz HNLZZBOCYCCPDV-CYBMUJFWSA-N -1 3 378.400 0.597 20 30 GCEDHM CCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCN(c2ccc(C#N)nn2)C1 ZINC001571135907 952609781 /nfs/dbraw/zinc/60/97/81/952609781.db2.gz HNLZZBOCYCCPDV-CYBMUJFWSA-N -1 3 378.400 0.597 20 30 GCEDHM CC1(Nc2cncc(C#N)n2)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571135943 952611118 /nfs/dbraw/zinc/61/11/18/952611118.db2.gz IWPYTYRLUZYKCZ-UHFFFAOYSA-N -1 3 378.400 0.963 20 30 GCEDHM CC1(Nc2cncc(C#N)n2)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571135943 952611122 /nfs/dbraw/zinc/61/11/22/952611122.db2.gz IWPYTYRLUZYKCZ-UHFFFAOYSA-N -1 3 378.400 0.963 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1c1nccnc1C#N ZINC001571136083 952611821 /nfs/dbraw/zinc/61/18/21/952611821.db2.gz MCKILJAVVLXOSJ-GHMZBOCLSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1c1nccnc1C#N ZINC001571136083 952611825 /nfs/dbraw/zinc/61/18/25/952611825.db2.gz MCKILJAVVLXOSJ-GHMZBOCLSA-N -1 3 378.400 0.644 20 30 GCEDHM CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571136059 952612416 /nfs/dbraw/zinc/61/24/16/952612416.db2.gz LMALVLHIJCQBMO-SNVBAGLBSA-N -1 3 378.400 0.428 20 30 GCEDHM CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571136059 952612418 /nfs/dbraw/zinc/61/24/18/952612418.db2.gz LMALVLHIJCQBMO-SNVBAGLBSA-N -1 3 378.400 0.428 20 30 GCEDHM N#Cc1ccc(NCC[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001571136605 952614887 /nfs/dbraw/zinc/61/48/87/952614887.db2.gz SNRITRYCFNQIEW-NSHDSACASA-N -1 3 378.400 0.821 20 30 GCEDHM N#Cc1ccc(NCC[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001571136605 952614890 /nfs/dbraw/zinc/61/48/90/952614890.db2.gz SNRITRYCFNQIEW-NSHDSACASA-N -1 3 378.400 0.821 20 30 GCEDHM N#Cc1nccnc1NC[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571136625 952615123 /nfs/dbraw/zinc/61/51/23/952615123.db2.gz TUTGTEIXNASIJY-MNOVXSKESA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1nccnc1NC[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571136625 952615124 /nfs/dbraw/zinc/61/51/24/952615124.db2.gz TUTGTEIXNASIJY-MNOVXSKESA-N -1 3 378.400 0.867 20 30 GCEDHM Cc1cc(C#N)nc(N[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C)n1 ZINC001571136988 952617576 /nfs/dbraw/zinc/61/75/76/952617576.db2.gz YYENUYWCBYYQJP-XPTSAGLGSA-N -1 3 378.400 0.738 20 30 GCEDHM Cc1cc(C#N)nc(N[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C)n1 ZINC001571136988 952617578 /nfs/dbraw/zinc/61/75/78/952617578.db2.gz YYENUYWCBYYQJP-XPTSAGLGSA-N -1 3 378.400 0.738 20 30 GCEDHM Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)NCC1(C#N)CCOCC1 ZINC001571155576 952698879 /nfs/dbraw/zinc/69/88/79/952698879.db2.gz XFQREOIZPNETNE-UHFFFAOYSA-N -1 3 380.405 0.913 20 30 GCEDHM N#Cc1cc(C(=O)N[C@@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3F)C2)c[nH]1 ZINC001571171998 952800280 /nfs/dbraw/zinc/80/02/80/952800280.db2.gz ZZMLCNHVPVHTFA-GFCCVEGCSA-N -1 3 381.375 0.999 20 30 GCEDHM N#Cc1cc(C(=O)N[C@@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3F)C2)c[nH]1 ZINC001571171998 952800287 /nfs/dbraw/zinc/80/02/87/952800287.db2.gz ZZMLCNHVPVHTFA-GFCCVEGCSA-N -1 3 381.375 0.999 20 30 GCEDHM N#Cc1c2c(nc(N3C[C@@H](CO)[C@H](CO)C3)c1-c1nnn[n-]1)CCCCCC2 ZINC001571232080 953185380 /nfs/dbraw/zinc/18/53/80/953185380.db2.gz BBMOTWXOPCVBRA-STQMWFEESA-N -1 3 383.456 0.829 20 30 GCEDHM N#Cc1c2c(nc(N3C[C@@H](CO)[C@H](CO)C3)c1-c1nn[n-]n1)CCCCCC2 ZINC001571232080 953185382 /nfs/dbraw/zinc/18/53/82/953185382.db2.gz BBMOTWXOPCVBRA-STQMWFEESA-N -1 3 383.456 0.829 20 30 GCEDHM Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@@H]3CC(=O)[O-])CC2)o1 ZINC001574418051 961334755 /nfs/dbraw/zinc/33/47/55/961334755.db2.gz IHFAGYCOIUNREH-CQSZACIVSA-N -1 3 375.429 0.833 20 30 GCEDHM C#CC1(O)CCN(C[C@@H](O)COc2cn(-c3ccccc3)nc2C(=O)[O-])CC1 ZINC001588379973 983366284 /nfs/dbraw/zinc/36/62/84/983366284.db2.gz WEQVWODCYMUMEV-MRXNPFEDSA-N -1 3 385.420 0.770 20 30 GCEDHM C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)cc1 ZINC001589334376 986200671 /nfs/dbraw/zinc/20/06/71/986200671.db2.gz CHWAORABQDHEFG-CHWSQXEVSA-N -1 3 394.453 0.852 20 30 GCEDHM CN1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H](C(=O)[O-])C1 ZINC001598616114 993883242 /nfs/dbraw/zinc/88/32/42/993883242.db2.gz NQENCNYVTARDJD-OAHLLOKOSA-N -1 3 382.424 0.631 20 30 GCEDHM COCC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C(N)=O ZINC000557835481 530117529 /nfs/dbraw/zinc/11/75/29/530117529.db2.gz CIUIBAZORDWXIV-JTQLQIEISA-N -1 3 376.232 0.489 20 30 GCEDHM CCS(=O)(=O)NCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000559640107 530156503 /nfs/dbraw/zinc/15/65/03/530156503.db2.gz SXMYPDKAWFNRME-UHFFFAOYSA-N -1 3 396.288 0.538 20 30 GCEDHM COC(=O)[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000579550925 530188961 /nfs/dbraw/zinc/18/89/61/530188961.db2.gz FHMVAEQFGZZNQX-CYBMUJFWSA-N -1 3 387.845 0.364 20 30 GCEDHM CS(=O)(=O)NCC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000286574418 530200949 /nfs/dbraw/zinc/20/09/49/530200949.db2.gz JIWZTUWTTDGIAZ-UHFFFAOYSA-N -1 3 382.261 0.148 20 30 GCEDHM COC(=O)C[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000599462092 530164576 /nfs/dbraw/zinc/16/45/76/530164576.db2.gz MRCNVDXOVOGYTP-SNVBAGLBSA-N -1 3 377.216 0.523 20 30 GCEDHM COC(=O)C[C@H](O)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000599461460 530164695 /nfs/dbraw/zinc/16/46/95/530164695.db2.gz HELOLBITUMUHAK-QMMMGPOBSA-N -1 3 377.216 0.523 20 30 GCEDHM C=CC[C@H](CO)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC ZINC000538119576 530171612 /nfs/dbraw/zinc/17/16/12/530171612.db2.gz CGQGSTTVTJFJDD-LBPRGKRZSA-N -1 3 392.499 0.920 20 30 GCEDHM Cc1cc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)CC#N)cc2)on1 ZINC000518396407 530228147 /nfs/dbraw/zinc/22/81/47/530228147.db2.gz DUQFFEUUNDEBLR-UHFFFAOYSA-N -1 3 384.439 0.606 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000409483763 530229453 /nfs/dbraw/zinc/22/94/53/530229453.db2.gz JBSRDRWHKCHEEV-JTQLQIEISA-N -1 3 376.232 0.713 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)[N-][C@@H]2CCN(c3cccc(Cl)c3)C2=O)CCO1 ZINC000409507708 530229665 /nfs/dbraw/zinc/22/96/65/530229665.db2.gz BBJJXZOPWPIJLX-ZIAGYGMSSA-N -1 3 384.845 0.504 20 30 GCEDHM COC(=O)C1CCC([N-]S(=O)(=O)N(C)C[C@H](C)C#N)(C(=O)OC)CC1 ZINC000409499205 530229712 /nfs/dbraw/zinc/22/97/12/530229712.db2.gz KMZLCNQDUZIGCV-XIKARTHZSA-N -1 3 375.447 0.187 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)CCO1 ZINC000410127466 530235370 /nfs/dbraw/zinc/23/53/70/530235370.db2.gz NJSLLPGHBKKXLQ-GFCCVEGCSA-N -1 3 383.817 0.949 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCN1C(=O)CNC1=O ZINC000286846568 530220257 /nfs/dbraw/zinc/22/02/57/530220257.db2.gz KQMRGQQAMPKRIW-UHFFFAOYSA-N -1 3 387.215 0.151 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000562611842 530294178 /nfs/dbraw/zinc/29/41/78/530294178.db2.gz PAGWVXQFAGDYKF-OLZOCXBDSA-N -1 3 375.397 0.886 20 30 GCEDHM CN(C)CCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000566630422 530285096 /nfs/dbraw/zinc/28/50/96/530285096.db2.gz VGAMHYXDPWCBTI-UHFFFAOYSA-N -1 3 388.515 0.449 20 30 GCEDHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@]2(C#N)CC2(C)C)s1 ZINC000427896340 530289039 /nfs/dbraw/zinc/28/90/39/530289039.db2.gz VCTIAOQROSSKQT-HNNXBMFYSA-N -1 3 384.483 0.471 20 30 GCEDHM CN1CC[C@@](O)(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000451403561 530254660 /nfs/dbraw/zinc/25/46/60/530254660.db2.gz ZZKXINJTECQUPY-CYBMUJFWSA-N -1 3 392.250 0.805 20 30 GCEDHM N#Cc1ncn(CC[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)n1 ZINC000551997301 530254967 /nfs/dbraw/zinc/25/49/67/530254967.db2.gz MRMYJTBSMXSPCV-UHFFFAOYSA-N -1 3 380.817 0.666 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCN1CCNC(=O)C1 ZINC000287898288 530258245 /nfs/dbraw/zinc/25/82/45/530258245.db2.gz SAAXCAKGLDJDGW-UHFFFAOYSA-N -1 3 387.259 0.031 20 30 GCEDHM CC[C@@](C)(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000569744866 530310610 /nfs/dbraw/zinc/31/06/10/530310610.db2.gz QGUPWPOZXZKFGH-SMDDNHRTSA-N -1 3 375.472 0.316 20 30 GCEDHM CN1CCC(C[N-]S(=O)(=O)c2ccc(C#N)s2)(N2CCOCC2)CC1 ZINC000581714975 530325551 /nfs/dbraw/zinc/32/55/51/530325551.db2.gz DPFGIFIDCAHZOS-UHFFFAOYSA-N -1 3 384.527 0.695 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]CCS(=O)(=O)N2CCSCC2)s1 ZINC000581862313 530326756 /nfs/dbraw/zinc/32/67/56/530326756.db2.gz QUEMPPDKBOYYKB-UHFFFAOYSA-N -1 3 381.526 0.277 20 30 GCEDHM CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC(C)(C)O ZINC000517041495 530375343 /nfs/dbraw/zinc/37/53/43/530375343.db2.gz UKRPKYLYJPQCJZ-UHFFFAOYSA-N -1 3 375.472 0.270 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](O)Cn2ccnn2)c(C(F)(F)F)c1 ZINC000566493822 530384452 /nfs/dbraw/zinc/38/44/52/530384452.db2.gz XEPPHMUILASTTF-JTQLQIEISA-N -1 3 375.332 0.508 20 30 GCEDHM N#C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000289825900 530428242 /nfs/dbraw/zinc/42/82/42/530428242.db2.gz AKQMWOOQOQFHCK-JTQLQIEISA-N -1 3 377.344 0.735 20 30 GCEDHM N#C[C@]1(F)CCN(S(=O)(=O)c2ccc(S(=O)(=O)[N-]CC(F)F)cc2)C1 ZINC000594627332 530432513 /nfs/dbraw/zinc/43/25/13/530432513.db2.gz WHZMOCHJFZCTES-CYBMUJFWSA-N -1 3 397.400 0.856 20 30 GCEDHM C[C@H](C[C@@H]1CCOC1)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000594633895 530435681 /nfs/dbraw/zinc/43/56/81/530435681.db2.gz VWXVXMPFLFHLBO-OLZOCXBDSA-N -1 3 387.483 0.582 20 30 GCEDHM CN(C(C)(C)C#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCOC1 ZINC000594634146 530435749 /nfs/dbraw/zinc/43/57/49/530435749.db2.gz LHSKPJPAWSSKIV-GFCCVEGCSA-N -1 3 387.483 0.676 20 30 GCEDHM C[C@H](CO)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000594634005 530435867 /nfs/dbraw/zinc/43/58/67/530435867.db2.gz FBUWPRSFGJIYHM-IAQYHMDHSA-N -1 3 387.483 0.316 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCOC1 ZINC000594634110 530435942 /nfs/dbraw/zinc/43/59/42/530435942.db2.gz IEBJJNVLJOHVJA-STQMWFEESA-N -1 3 387.483 0.580 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1CC[C@@H](O)C1 ZINC000594633932 530435980 /nfs/dbraw/zinc/43/59/80/530435980.db2.gz ZAESIQNDYOBRHT-QWHCGFSZSA-N -1 3 387.483 0.270 20 30 GCEDHM CC[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](C)CO ZINC000594634407 530436133 /nfs/dbraw/zinc/43/61/33/530436133.db2.gz PTJXGFFOIDIVQT-NEPJUHHUSA-N -1 3 375.472 0.268 20 30 GCEDHM CC[C@](C)(O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N ZINC000594634424 530436181 /nfs/dbraw/zinc/43/61/81/530436181.db2.gz QHFOUTNGGXIWIV-AWEZNQCLSA-N -1 3 375.472 0.270 20 30 GCEDHM CO[C@H]1CCC[C@@H]1CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000594634672 530436229 /nfs/dbraw/zinc/43/62/29/530436229.db2.gz ZGAIXPYJUULIMS-OLZOCXBDSA-N -1 3 387.483 0.582 20 30 GCEDHM CCN(C[C@H]1CCOC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000594636540 530437337 /nfs/dbraw/zinc/43/73/37/530437337.db2.gz YGZJRYRBNYSPRR-CYBMUJFWSA-N -1 3 387.483 0.536 20 30 GCEDHM N#CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N[C@@H]2CCC[C@H]2O)CC1 ZINC000594633433 530434848 /nfs/dbraw/zinc/43/48/48/530434848.db2.gz LOMQGSCNOYMBMY-VXGBXAGGSA-N -1 3 385.467 0.213 20 30 GCEDHM N#CCN(C1CCCC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCO ZINC000594633264 530434851 /nfs/dbraw/zinc/43/48/51/530434851.db2.gz BLICYFFNMSGTQN-UHFFFAOYSA-N -1 3 387.483 0.414 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC(C)(C)CO ZINC000594633636 530435227 /nfs/dbraw/zinc/43/52/27/530435227.db2.gz ZTMZVRBLHBEULS-GFCCVEGCSA-N -1 3 389.499 0.516 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000594633706 530435305 /nfs/dbraw/zinc/43/53/05/530435305.db2.gz AUQNBECDQSEKLZ-CHWSQXEVSA-N -1 3 387.483 0.318 20 30 GCEDHM C[C@@H](O)[C@H]1CCCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000595958944 530450997 /nfs/dbraw/zinc/45/09/97/530450997.db2.gz KIQXIYBFZUBSQO-YNEHKIRRSA-N -1 3 387.483 0.411 20 30 GCEDHM C[C@H](O)[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000595961556 530451162 /nfs/dbraw/zinc/45/11/62/530451162.db2.gz RXQPQWHLVDSOHU-GUTXKFCHSA-N -1 3 393.531 0.163 20 30 GCEDHM C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C[C@@]1(C)CO ZINC000595961937 530451242 /nfs/dbraw/zinc/45/12/42/530451242.db2.gz NJXQNKMRUHCIAU-DOMZBBRYSA-N -1 3 387.483 0.127 20 30 GCEDHM CC(C)(O)C(C)(C)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000563430087 530525914 /nfs/dbraw/zinc/52/59/14/530525914.db2.gz VRXIIYOZOMCEQG-UHFFFAOYSA-N -1 3 375.472 0.316 20 30 GCEDHM COC(C)(C)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C#N ZINC000571226710 530528727 /nfs/dbraw/zinc/52/87/27/530528727.db2.gz UMOLJYKEOVZLIX-LBPRGKRZSA-N -1 3 389.499 0.922 20 30 GCEDHM CS(=O)(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000274676858 530529052 /nfs/dbraw/zinc/52/90/52/530529052.db2.gz ZLPSXIRAURHUFP-LLVKDONJSA-N -1 3 377.875 0.914 20 30 GCEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(C)(CO)C1 ZINC000566488026 530530860 /nfs/dbraw/zinc/53/08/60/530530860.db2.gz KWGHDOBSXMSVIH-UHFFFAOYSA-N -1 3 387.483 0.270 20 30 GCEDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)CCO1 ZINC000566747723 530533986 /nfs/dbraw/zinc/53/39/86/530533986.db2.gz JCEOQCWUVVULEF-CHWSQXEVSA-N -1 3 387.483 0.676 20 30 GCEDHM N#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1CCC1 ZINC000566747750 530534084 /nfs/dbraw/zinc/53/40/84/530534084.db2.gz JSOHNRUPJBNMLH-UHFFFAOYSA-N -1 3 382.467 0.803 20 30 GCEDHM N#CCN1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000567940268 530550584 /nfs/dbraw/zinc/55/05/84/530550584.db2.gz QZTSVMHGNOQFNF-UHFFFAOYSA-N -1 3 391.280 0.939 20 30 GCEDHM CC[C@H](CO)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000568108902 530553754 /nfs/dbraw/zinc/55/37/54/530553754.db2.gz QZCJVAZHWFFGRY-LLVKDONJSA-N -1 3 375.472 0.316 20 30 GCEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]1CO ZINC000575002280 530554608 /nfs/dbraw/zinc/55/46/08/530554608.db2.gz DAWXBHCCGJZFHM-GFCCVEGCSA-N -1 3 387.483 0.412 20 30 GCEDHM C=CCC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)F)cc1 ZINC000568252312 530555722 /nfs/dbraw/zinc/55/57/22/530555722.db2.gz OGHZPEUFJFIPLT-LLVKDONJSA-N -1 3 398.453 0.835 20 30 GCEDHM CCc1cc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)on1 ZINC000568252629 530556317 /nfs/dbraw/zinc/55/63/17/530556317.db2.gz ZPCPKNXWMPYECN-UHFFFAOYSA-N -1 3 384.439 0.517 20 30 GCEDHM C[C@H](O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000568255921 530556601 /nfs/dbraw/zinc/55/66/01/530556601.db2.gz OLGCXSUWRFIERJ-XHDPSFHLSA-N -1 3 387.483 0.316 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC(=O)NCC(F)F)ccc1F ZINC000281136720 530558044 /nfs/dbraw/zinc/55/80/44/530558044.db2.gz IACMKOLIWXPLFR-UHFFFAOYSA-N -1 3 379.360 0.401 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(OC(F)F)C1 ZINC000563821036 530561535 /nfs/dbraw/zinc/56/15/35/530561535.db2.gz NUWZULNOCNOIRJ-VIFPVBQESA-N -1 3 395.409 0.489 20 30 GCEDHM C=C[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000290056944 530564338 /nfs/dbraw/zinc/56/43/38/530564338.db2.gz BPWRIDDEBLRSON-VIFPVBQESA-N -1 3 388.389 0.352 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCC1CCOCC1 ZINC000569021158 530566004 /nfs/dbraw/zinc/56/60/04/530566004.db2.gz OHAYJQVYTDPPBF-LBPRGKRZSA-N -1 3 387.483 0.582 20 30 GCEDHM C[C@H]1C[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2(C#N)CC2)CO1 ZINC000569001698 530566130 /nfs/dbraw/zinc/56/61/30/530566130.db2.gz ICDJELGXWCSDCJ-NWDGAFQWSA-N -1 3 385.467 0.477 20 30 GCEDHM C=CCCCS(=O)(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000293504963 530566680 /nfs/dbraw/zinc/56/66/80/530566680.db2.gz RXTYWXBQVBGURC-UHFFFAOYSA-N -1 3 377.444 0.759 20 30 GCEDHM CC(C)[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N)C(C)(C)O ZINC000572985618 530573300 /nfs/dbraw/zinc/57/33/00/530573300.db2.gz IWKWUVOBBFDJGH-AWEZNQCLSA-N -1 3 389.499 0.562 20 30 GCEDHM CN(CCCO)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000573138742 530575517 /nfs/dbraw/zinc/57/55/17/530575517.db2.gz RUKKKMHFODTTKK-UHFFFAOYSA-N -1 3 375.472 0.270 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCSC1 ZINC000573863777 530584002 /nfs/dbraw/zinc/58/40/02/530584002.db2.gz XSZWZJOQCLCJBY-LLVKDONJSA-N -1 3 375.497 0.614 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1O ZINC000519181798 530589689 /nfs/dbraw/zinc/58/96/89/530589689.db2.gz QWRMOWOZPNWCNQ-STQMWFEESA-N -1 3 387.483 0.412 20 30 GCEDHM C[C@H]1COCC[C@@H]1CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000519181779 530590021 /nfs/dbraw/zinc/59/00/21/530590021.db2.gz QGTNWFMLFYKJAX-QWHCGFSZSA-N -1 3 387.483 0.439 20 30 GCEDHM CC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1)[C@@H](C)O ZINC000519710829 530599863 /nfs/dbraw/zinc/59/98/63/530599863.db2.gz NJLFVJILKOWQRT-VXGBXAGGSA-N -1 3 387.483 0.459 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000580570932 530615344 /nfs/dbraw/zinc/61/53/44/530615344.db2.gz RGKADJUMGKGGSU-AVGNSLFASA-N -1 3 387.483 0.723 20 30 GCEDHM CC[C@@H](CO)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C(C)(C)C#N ZINC000519833323 530601968 /nfs/dbraw/zinc/60/19/68/530601968.db2.gz DAOLYYNBRDNTKO-LBPRGKRZSA-N -1 3 389.499 0.658 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCO[C@@H](C)C1 ZINC000580570933 530615694 /nfs/dbraw/zinc/61/56/94/530615694.db2.gz RGKADJUMGKGGSU-RWMBFGLXSA-N -1 3 387.483 0.723 20 30 GCEDHM CC[C@H](CO)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C(C)(C)C#N ZINC000576479279 530609102 /nfs/dbraw/zinc/60/91/02/530609102.db2.gz DAOLYYNBRDNTKO-GFCCVEGCSA-N -1 3 389.499 0.658 20 30 GCEDHM C[C@@H]1C[C@H](CNS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)[C@@H](C)O1 ZINC000576956886 530614005 /nfs/dbraw/zinc/61/40/05/530614005.db2.gz DRMDXJPEJTWEGI-JHJVBQTASA-N -1 3 387.483 0.580 20 30 GCEDHM C[C@@H]1C[C@H](CNS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)[C@H](C)O1 ZINC000576956884 530614413 /nfs/dbraw/zinc/61/44/13/530614413.db2.gz DRMDXJPEJTWEGI-FRRDWIJNSA-N -1 3 387.483 0.580 20 30 GCEDHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)o1 ZINC000573933123 530585219 /nfs/dbraw/zinc/58/52/19/530585219.db2.gz BEIYIIBDJHCKLU-UHFFFAOYSA-N -1 3 384.439 0.517 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000573982070 530585554 /nfs/dbraw/zinc/58/55/54/530585554.db2.gz FDRJFXWCTXLVBF-DOMZBBRYSA-N -1 3 385.467 0.334 20 30 GCEDHM C=CCC[C@@H](CO)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000458736810 530633045 /nfs/dbraw/zinc/63/30/45/530633045.db2.gz VQBXWGIISKHNCM-LBPRGKRZSA-N -1 3 377.413 0.869 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@](C)(F)C1 ZINC000349444361 530635390 /nfs/dbraw/zinc/63/53/90/530635390.db2.gz CVJISIBINRAVBV-FZMZJTMJSA-N -1 3 375.447 1.000 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](O)C1 ZINC000349447528 530635805 /nfs/dbraw/zinc/63/58/05/530635805.db2.gz BVWGISOQXWZKCH-QWHCGFSZSA-N -1 3 387.483 0.268 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H]1CCCOC1 ZINC000349444574 530635986 /nfs/dbraw/zinc/63/59/86/530635986.db2.gz APMIWOCVJCBDPH-QWHCGFSZSA-N -1 3 387.483 0.676 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCO[C@H](CF)C1 ZINC000349447716 530636036 /nfs/dbraw/zinc/63/60/36/530636036.db2.gz JGKLANGBQWSYSB-GFCCVEGCSA-N -1 3 391.446 0.238 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCc2cnccc21 ZINC000349450133 530636133 /nfs/dbraw/zinc/63/61/33/530636133.db2.gz LMVLONKGNIFWEM-CQSZACIVSA-N -1 3 386.499 0.632 20 30 GCEDHM C[C@H]1[C@H](C)N(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CCN1C ZINC000349453882 530637082 /nfs/dbraw/zinc/63/70/82/530637082.db2.gz PCJVWKQKYBKNIM-STQMWFEESA-N -1 3 386.499 0.202 20 30 GCEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)C(C)(C)C1 ZINC000349458907 530639059 /nfs/dbraw/zinc/63/90/59/530639059.db2.gz GRYUMZZQMJXFBJ-CHWSQXEVSA-N -1 3 395.547 0.267 20 30 GCEDHM CN(CC[C@@H]1CCCO1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349459610 530639257 /nfs/dbraw/zinc/63/92/57/530639257.db2.gz VCFFMDJJDMVLND-ZDUSSCGKSA-N -1 3 387.483 0.678 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000349466887 530642728 /nfs/dbraw/zinc/64/27/28/530642728.db2.gz RGSLRIUKRPDAGC-ILXRZTDVSA-N -1 3 394.563 0.198 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCSC1 ZINC000577230971 530618593 /nfs/dbraw/zinc/61/85/93/530618593.db2.gz BOBXRXWXPQZEDZ-RYUDHWBXSA-N -1 3 389.524 0.908 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]1CO ZINC000349474424 530646505 /nfs/dbraw/zinc/64/65/05/530646505.db2.gz VABBUNBICJDPFP-QWHCGFSZSA-N -1 3 387.483 0.412 20 30 GCEDHM COC(C)(C)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000349480979 530650028 /nfs/dbraw/zinc/65/00/28/530650028.db2.gz LYPKQZHFUSNUEY-LBPRGKRZSA-N -1 3 389.499 0.922 20 30 GCEDHM C[C@@H]1CSCCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349481108 530650169 /nfs/dbraw/zinc/65/01/69/530650169.db2.gz MCCLADIKOPAEAB-LLVKDONJSA-N -1 3 375.497 0.614 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1F ZINC000516664643 530682715 /nfs/dbraw/zinc/68/27/15/530682715.db2.gz OWHFVQORDOSYSL-NEPJUHHUSA-N -1 3 375.447 1.000 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](OC)C1 ZINC000349481811 530650669 /nfs/dbraw/zinc/65/06/69/530650669.db2.gz OOOKQXYOZJICEI-STQMWFEESA-N -1 3 387.483 0.676 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C1CC(O)C1 ZINC000349483067 530650699 /nfs/dbraw/zinc/65/06/99/530650699.db2.gz UYMLWKSKHDLIEO-HIFPTAJRSA-N -1 3 387.483 0.411 20 30 GCEDHM N#CC1([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOC2)CCCCC1 ZINC000349509156 530665132 /nfs/dbraw/zinc/66/51/32/530665132.db2.gz NBGZEXHJEWTICY-UHFFFAOYSA-N -1 3 379.504 0.532 20 30 GCEDHM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)CCCO1 ZINC000349527800 530673483 /nfs/dbraw/zinc/67/34/83/530673483.db2.gz WNXHVKJINXNZQK-UKRRQHHQSA-N -1 3 393.531 0.429 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCSC1 ZINC000349535082 530677923 /nfs/dbraw/zinc/67/79/23/530677923.db2.gz JZEKJZMXECKPPV-TZMCWYRMSA-N -1 3 395.572 0.803 20 30 GCEDHM C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)CCO1 ZINC000349552742 530688954 /nfs/dbraw/zinc/68/89/54/530688954.db2.gz NPKZWZFFYKQTAQ-UMVBOHGHSA-N -1 3 393.531 0.475 20 30 GCEDHM C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)CCO1 ZINC000349552745 530689372 /nfs/dbraw/zinc/68/93/72/530689372.db2.gz NPKZWZFFYKQTAQ-VNHYZAJKSA-N -1 3 393.531 0.475 20 30 GCEDHM C[C@@H]1CSC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000349562067 530694923 /nfs/dbraw/zinc/69/49/23/530694923.db2.gz ARCVNVOUVOWILO-BZPMIXESSA-N -1 3 395.572 0.659 20 30 GCEDHM C=CCn1c(=O)[n-]nc1S[C@H](C(=O)N[C@]1(C)CCS(=O)(=O)C1)C(C)C ZINC000470829671 530696911 /nfs/dbraw/zinc/69/69/11/530696911.db2.gz DTEBKJXOGUXHPG-XHDPSFHLSA-N -1 3 388.515 0.980 20 30 GCEDHM C=CCn1c(=O)[n-]nc1S[C@H](C(=O)N[C@@]1(C)CCS(=O)(=O)C1)C(C)C ZINC000470829670 530697181 /nfs/dbraw/zinc/69/71/81/530697181.db2.gz DTEBKJXOGUXHPG-NHYWBVRUSA-N -1 3 388.515 0.980 20 30 GCEDHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000349576594 530701609 /nfs/dbraw/zinc/70/16/09/530701609.db2.gz RNLZLKZJRYYSJU-QWHCGFSZSA-N -1 3 389.503 0.770 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1O ZINC000579006528 530737360 /nfs/dbraw/zinc/73/73/60/530737360.db2.gz NKRSVNWXLYTSFJ-JHJVBQTASA-N -1 3 387.483 0.411 20 30 GCEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cnn2cc(Br)cnc12 ZINC000641408290 530739688 /nfs/dbraw/zinc/73/96/88/530739688.db2.gz IUUWRSFBXIJLBG-SECBINFHSA-N -1 3 375.248 0.955 20 30 GCEDHM COC[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C(C)(C)C#N ZINC000579495087 530743733 /nfs/dbraw/zinc/74/37/33/530743733.db2.gz MGXMKWKIQLXPRL-GFCCVEGCSA-N -1 3 389.499 0.922 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCCCO1 ZINC000579495182 530743890 /nfs/dbraw/zinc/74/38/90/530743890.db2.gz PPXYESVSPSXZIG-STQMWFEESA-N -1 3 387.483 0.724 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCCS(=O)(=O)N1CC(C)(C#N)C1 ZINC000349627965 530724191 /nfs/dbraw/zinc/72/41/91/530724191.db2.gz WNGPMAMHPUXMTR-HNNXBMFYSA-N -1 3 388.515 0.554 20 30 GCEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F)C(=O)OC ZINC000581642438 530761383 /nfs/dbraw/zinc/76/13/83/530761383.db2.gz MRBICXKZHUXYIN-GFCCVEGCSA-N -1 3 375.374 0.635 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)ccc1F ZINC000045308416 530779551 /nfs/dbraw/zinc/77/95/51/530779551.db2.gz BDVUGKYTSZZDOT-HNNXBMFYSA-N -1 3 390.458 0.597 20 30 GCEDHM C=CCOC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OC ZINC000481770253 530780632 /nfs/dbraw/zinc/78/06/32/530780632.db2.gz WORAVNRGGXQGDG-SECBINFHSA-N -1 3 396.874 0.540 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]CCNS(=O)(=O)c2ccccc2)c(F)c1 ZINC000610081910 530765049 /nfs/dbraw/zinc/76/50/49/530765049.db2.gz QBDOGVXZQUFQME-UHFFFAOYSA-N -1 3 383.426 0.954 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(CCN3CCOCC3)C2)s1 ZINC000603417538 530828704 /nfs/dbraw/zinc/82/87/04/530828704.db2.gz IMCDIKXRORZVMD-AWEZNQCLSA-N -1 3 384.527 0.695 20 30 GCEDHM CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)C1 ZINC000582677096 530846541 /nfs/dbraw/zinc/84/65/41/530846541.db2.gz LQHFXIYWNKJAJH-CHWSQXEVSA-N -1 3 387.483 0.676 20 30 GCEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCN1CCNC(=O)C1 ZINC000416459571 530847031 /nfs/dbraw/zinc/84/70/31/530847031.db2.gz SJXRIXCUOMNTPR-UHFFFAOYSA-N -1 3 387.259 0.031 20 30 GCEDHM COC[C@H]1CCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000583034615 530858214 /nfs/dbraw/zinc/85/82/14/530858214.db2.gz JJNDCJBDVVIYJB-GFCCVEGCSA-N -1 3 387.483 0.676 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC=C(F)C1 ZINC000348354034 530860695 /nfs/dbraw/zinc/86/06/95/530860695.db2.gz SJJWERFRCKHCBS-CQSZACIVSA-N -1 3 379.479 0.877 20 30 GCEDHM CS(=O)(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000269657209 530868239 /nfs/dbraw/zinc/86/82/39/530868239.db2.gz JUZJFKWZNUEMHH-GFCCVEGCSA-N -1 3 377.875 0.914 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](O)C(C)(C)C1 ZINC000349463427 530872267 /nfs/dbraw/zinc/87/22/67/530872267.db2.gz YKGQTINHZIOTPF-SMDDNHRTSA-N -1 3 387.483 0.268 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H](CO)CC1 ZINC000349464134 530872718 /nfs/dbraw/zinc/87/27/18/530872718.db2.gz BOUKWATYKYLBJJ-CYBMUJFWSA-N -1 3 387.483 0.272 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](O)C1 ZINC000349447526 530873394 /nfs/dbraw/zinc/87/33/94/530873394.db2.gz BVWGISOQXWZKCH-CHWSQXEVSA-N -1 3 387.483 0.268 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C[C@H](C)O ZINC000349451343 530873422 /nfs/dbraw/zinc/87/34/22/530873422.db2.gz MYWFREQDVCETPD-RYUDHWBXSA-N -1 3 375.472 0.268 20 30 GCEDHM C=CCn1c(=O)[n-]nc1S(=O)(=O)Cc1ccc(OCC(F)(F)F)nn1 ZINC000653487664 530842557 /nfs/dbraw/zinc/84/25/57/530842557.db2.gz HDAFIFHSWFPQTC-UHFFFAOYSA-N -1 3 379.320 0.875 20 30 GCEDHM C[C@@H]1SCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000349532975 530899409 /nfs/dbraw/zinc/89/94/09/530899409.db2.gz CIOUEMLCUUCEMW-SGMGOOAPSA-N -1 3 395.572 0.802 20 30 GCEDHM CS(=O)(=O)N1CCC(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000533580929 530901850 /nfs/dbraw/zinc/90/18/50/530901850.db2.gz IIIZDMBMYLNCIA-UHFFFAOYSA-N -1 3 375.447 0.647 20 30 GCEDHM COCC[C@](C)(C#N)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000508068254 530909754 /nfs/dbraw/zinc/90/97/54/530909754.db2.gz MAXNLVHEOGLLTE-CYBMUJFWSA-N -1 3 379.435 0.794 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@]2(CCOC2)C1 ZINC000349476856 530875565 /nfs/dbraw/zinc/87/55/65/530875565.db2.gz DDXOVGCUECBFOR-HNNXBMFYSA-N -1 3 385.467 0.290 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@]2(CCOC2)C1 ZINC000349486184 530878702 /nfs/dbraw/zinc/87/87/02/530878702.db2.gz BJAOCQPOZVNUSK-LSDHHAIUSA-N -1 3 393.531 0.286 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@](F)(C#N)C1 ZINC000349486230 530878837 /nfs/dbraw/zinc/87/88/37/530878837.db2.gz BOUICGSSPKUERF-ZIAGYGMSSA-N -1 3 392.478 0.256 20 30 GCEDHM CSc1cncc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)c1 ZINC000349493272 530880159 /nfs/dbraw/zinc/88/01/59/530880159.db2.gz AGXAKWOTTDLIOI-UHFFFAOYSA-N -1 3 390.512 0.720 20 30 GCEDHM CN([C@H]1CCCOC1)S(=O)(=O)CCCS(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000349495117 530881104 /nfs/dbraw/zinc/88/11/04/530881104.db2.gz LXMIUODUBNXBJN-ZFWWWQNUSA-N -1 3 393.531 0.429 20 30 GCEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@](F)(C#N)C1 ZINC000349498235 530882276 /nfs/dbraw/zinc/88/22/76/530882276.db2.gz NZCDWNZOOYXMJV-GXTWGEPZSA-N -1 3 394.494 0.502 20 30 GCEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@](F)(C#N)C1 ZINC000349498238 530882294 /nfs/dbraw/zinc/88/22/94/530882294.db2.gz NZCDWNZOOYXMJV-JSGCOSHPSA-N -1 3 394.494 0.502 20 30 GCEDHM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(C#N)C1 ZINC000349498450 530882601 /nfs/dbraw/zinc/88/26/01/530882601.db2.gz IYMFWRAHDCCATQ-UHFFFAOYSA-N -1 3 397.429 0.573 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000349503717 530883459 /nfs/dbraw/zinc/88/34/59/530883459.db2.gz PSXLYPZKEJWFAE-KKUMJFAQSA-N -1 3 377.532 0.906 20 30 GCEDHM N#C[C@@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccc2F)C1 ZINC000349503942 530883535 /nfs/dbraw/zinc/88/35/35/530883535.db2.gz SLJJHDOPDONJEQ-ZDUSSCGKSA-N -1 3 394.425 0.620 20 30 GCEDHM N#CC1([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](F)C2)CCCCC1 ZINC000349502955 530883585 /nfs/dbraw/zinc/88/35/85/530883585.db2.gz KDGMFYKSGGVTMT-CYBMUJFWSA-N -1 3 381.495 0.896 20 30 GCEDHM CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000594825939 530885604 /nfs/dbraw/zinc/88/56/04/530885604.db2.gz DUUTZLLOFZUOSB-WDEREUQCSA-N -1 3 398.384 0.667 20 30 GCEDHM CS(=O)(=O)N1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000443085352 530890254 /nfs/dbraw/zinc/89/02/54/530890254.db2.gz JEXHCOCTBRMSNR-UHFFFAOYSA-N -1 3 377.875 0.914 20 30 GCEDHM CN1C(=O)CC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1=O ZINC000425217887 530891614 /nfs/dbraw/zinc/89/16/14/530891614.db2.gz CHZBZKSYASIETL-JTQLQIEISA-N -1 3 386.227 0.746 20 30 GCEDHM C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000349473877 530891772 /nfs/dbraw/zinc/89/17/72/530891772.db2.gz ZXEYPZLGZVAIQQ-UPJWGTAASA-N -1 3 381.520 0.019 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCN(S(=O)(=O)C3CC3)CC2)s1 ZINC000373819670 530894364 /nfs/dbraw/zinc/89/43/64/530894364.db2.gz MVJCNYLMOQCNDK-UHFFFAOYSA-N -1 3 375.497 0.855 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000349575188 530895257 /nfs/dbraw/zinc/89/52/57/530895257.db2.gz OFEYLMJBLBEOJU-GUTXKFCHSA-N -1 3 388.515 0.600 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]CCNS(=O)(=O)Cc2ccon2)c(F)c1 ZINC000531408807 530896864 /nfs/dbraw/zinc/89/68/64/530896864.db2.gz UQIJIUSBFLUJSZ-UHFFFAOYSA-N -1 3 388.402 0.083 20 30 GCEDHM COC(=O)c1ccc(S(=O)(=O)[N-]CC(=O)NCC#N)c(Br)c1 ZINC000511029471 530932555 /nfs/dbraw/zinc/93/25/55/530932555.db2.gz MOGDGNWTNATIHD-UHFFFAOYSA-N -1 3 390.215 0.154 20 30 GCEDHM N#CCCCS(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000511269080 530935031 /nfs/dbraw/zinc/93/50/31/530935031.db2.gz UIXWRBVOPSWPFC-UHFFFAOYSA-N -1 3 383.854 0.981 20 30 GCEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000611417683 530990086 /nfs/dbraw/zinc/99/00/86/530990086.db2.gz AESPQMCEPAJYIM-DZGCQCFKSA-N -1 3 388.442 0.712 20 30 GCEDHM C=CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000267766408 531004937 /nfs/dbraw/zinc/00/49/37/531004937.db2.gz RSYSUNTYYLQMKC-LBPRGKRZSA-N -1 3 390.458 0.549 20 30 GCEDHM C=CCNC(=O)CNC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000271975103 531006228 /nfs/dbraw/zinc/00/62/28/531006228.db2.gz IVPORFDDNZRGDA-UHFFFAOYSA-N -1 3 386.499 0.503 20 30 GCEDHM C=CCNC(=O)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC ZINC000272079207 531006394 /nfs/dbraw/zinc/00/63/94/531006394.db2.gz SJZDYKXKJXVMBO-UHFFFAOYSA-N -1 3 391.471 0.037 20 30 GCEDHM N#CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)NCCN2CCC2)CC1 ZINC000580465258 531012920 /nfs/dbraw/zinc/01/29/20/531012920.db2.gz BNWORROWRNYIMS-UHFFFAOYSA-N -1 3 384.483 0.005 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CS(C)(=O)=O)ccc1F ZINC000264888924 531002971 /nfs/dbraw/zinc/00/29/71/531002971.db2.gz LOOMCTRETIEQDI-JTQLQIEISA-N -1 3 378.447 0.453 20 30 GCEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC ZINC000540322434 531048923 /nfs/dbraw/zinc/04/89/23/531048923.db2.gz JDTCKLDUVYZJKD-VIFPVBQESA-N -1 3 377.440 0.784 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCNc1cnccn1 ZINC000557792378 531055036 /nfs/dbraw/zinc/05/50/36/531055036.db2.gz QPMLTMOQAYWOOT-UHFFFAOYSA-N -1 3 382.243 1.501 20 30 GCEDHM C[C@@H]1C[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]C(C)(C)C#N)CO1 ZINC000515313032 531088104 /nfs/dbraw/zinc/08/81/04/531088104.db2.gz YITRHIPECBBSCW-NEPJUHHUSA-N -1 3 387.483 0.723 20 30 GCEDHM CC#CC[C@@H](CO)NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000649188960 531073216 /nfs/dbraw/zinc/07/32/16/531073216.db2.gz VVMNVVUYZNHFKQ-VIFPVBQESA-N -1 3 395.300 0.679 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCCOC1 ZINC000564348023 531115209 /nfs/dbraw/zinc/11/52/09/531115209.db2.gz JYTYNWZCWYIYOS-ZDUSSCGKSA-N -1 3 387.483 0.536 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1CCCOC1 ZINC000564348020 531115356 /nfs/dbraw/zinc/11/53/56/531115356.db2.gz JYTYNWZCWYIYOS-CYBMUJFWSA-N -1 3 387.483 0.536 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3)C2=O)CCO1 ZINC000548832372 531123774 /nfs/dbraw/zinc/12/37/74/531123774.db2.gz PZZJNXLGUCZCRU-KGLIPLIRSA-N -1 3 384.845 0.504 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CCO1 ZINC000548832374 531123781 /nfs/dbraw/zinc/12/37/81/531123781.db2.gz PZZJNXLGUCZCRU-ZIAGYGMSSA-N -1 3 384.845 0.504 20 30 GCEDHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C#N ZINC000565902823 531191497 /nfs/dbraw/zinc/19/14/97/531191497.db2.gz BRJVKSADIXMZEN-RWMBFGLXSA-N -1 3 389.499 0.921 20 30 GCEDHM C[C@@H](CC#N)OC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000735964084 598880819 /nfs/dbraw/zinc/88/08/19/598880819.db2.gz VGEHRZLQTJHIOF-GXFFZTMASA-N -1 3 383.368 0.917 20 30 GCEDHM C[C@@H](CC#N)OC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735964084 598880820 /nfs/dbraw/zinc/88/08/20/598880820.db2.gz VGEHRZLQTJHIOF-GXFFZTMASA-N -1 3 383.368 0.917 20 30 GCEDHM N#Cc1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1-c1nnn[n-]1 ZINC000737715547 598927463 /nfs/dbraw/zinc/92/74/63/598927463.db2.gz ASMZGDOKAOJIEG-UHFFFAOYSA-N -1 3 396.392 0.174 20 30 GCEDHM N#Cc1ccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1-c1nn[n-]n1 ZINC000737715547 598927465 /nfs/dbraw/zinc/92/74/65/598927465.db2.gz ASMZGDOKAOJIEG-UHFFFAOYSA-N -1 3 396.392 0.174 20 30 GCEDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCNc1ccc(C#N)cn1 ZINC000737298064 598951878 /nfs/dbraw/zinc/95/18/78/598951878.db2.gz NKAQXMPYKJMGNW-UHFFFAOYSA-N -1 3 384.425 0.832 20 30 GCEDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCNc1ccc(C#N)cn1 ZINC000737298064 598951880 /nfs/dbraw/zinc/95/18/80/598951880.db2.gz NKAQXMPYKJMGNW-UHFFFAOYSA-N -1 3 384.425 0.832 20 30 GCEDHM C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000735416088 598952657 /nfs/dbraw/zinc/95/26/57/598952657.db2.gz CNPCITSPPQIEKF-ZDUSSCGKSA-N -1 3 397.482 0.539 20 30 GCEDHM C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000735416088 598952658 /nfs/dbraw/zinc/95/26/58/598952658.db2.gz CNPCITSPPQIEKF-ZDUSSCGKSA-N -1 3 397.482 0.539 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737845932 599056785 /nfs/dbraw/zinc/05/67/85/599056785.db2.gz BQAAQFDUIWSHQO-VLGSPTGOSA-N -1 3 398.379 0.705 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737847868 599056930 /nfs/dbraw/zinc/05/69/30/599056930.db2.gz TYYRUAIUODTMAC-ICFOKQHNSA-N -1 3 386.343 0.966 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737846051 599057335 /nfs/dbraw/zinc/05/73/35/599057335.db2.gz DUQWKEIJXQPVOL-FBMGVBCBSA-N -1 3 398.379 0.705 20 30 GCEDHM N#Cc1ccc([C@@H](C(N)=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cc1 ZINC000737712261 599068050 /nfs/dbraw/zinc/06/80/50/599068050.db2.gz OZYCCYCDMSTREZ-KRWDZBQOSA-N -1 3 389.423 0.482 20 30 GCEDHM N#Cc1ccc([C@@H](C(N)=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cc1 ZINC000737712261 599068052 /nfs/dbraw/zinc/06/80/52/599068052.db2.gz OZYCCYCDMSTREZ-KRWDZBQOSA-N -1 3 389.423 0.482 20 30 GCEDHM N#Cc1ccc(OCC(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737722320 599111792 /nfs/dbraw/zinc/11/17/92/599111792.db2.gz SERSZCQEHOBFLB-INIZCTEOSA-N -1 3 378.348 0.887 20 30 GCEDHM N#Cc1ccc(OCC(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737722320 599111794 /nfs/dbraw/zinc/11/17/94/599111794.db2.gz SERSZCQEHOBFLB-INIZCTEOSA-N -1 3 378.348 0.887 20 30 GCEDHM Cc1cc(N2CC[C@H](Sc3nc(N)c(-c4nnn[n-]4)cc3C#N)C2=O)n(C)n1 ZINC000822207198 599124320 /nfs/dbraw/zinc/12/43/20/599124320.db2.gz NYZUMYODCRSAFC-NSHDSACASA-N -1 3 396.440 0.655 20 30 GCEDHM Cc1cc(N2CC[C@H](Sc3nc(N)c(-c4nn[n-]n4)cc3C#N)C2=O)n(C)n1 ZINC000822207198 599124322 /nfs/dbraw/zinc/12/43/22/599124322.db2.gz NYZUMYODCRSAFC-NSHDSACASA-N -1 3 396.440 0.655 20 30 GCEDHM Cc1cc(N2CC[C@@H](Sc3nc(N)c(-c4nnn[n-]4)cc3C#N)C2=O)n(C)n1 ZINC000822207197 599124475 /nfs/dbraw/zinc/12/44/75/599124475.db2.gz NYZUMYODCRSAFC-LLVKDONJSA-N -1 3 396.440 0.655 20 30 GCEDHM Cc1cc(N2CC[C@@H](Sc3nc(N)c(-c4nn[n-]n4)cc3C#N)C2=O)n(C)n1 ZINC000822207197 599124476 /nfs/dbraw/zinc/12/44/76/599124476.db2.gz NYZUMYODCRSAFC-LLVKDONJSA-N -1 3 396.440 0.655 20 30 GCEDHM Cn1cc(N2CCC[C@@H](Sc3nc(N)c(C#N)cc3-c3nnn[n-]3)C2=O)cn1 ZINC000737612131 599161863 /nfs/dbraw/zinc/16/18/63/599161863.db2.gz XDVWEESLANNBRU-GFCCVEGCSA-N -1 3 396.440 0.737 20 30 GCEDHM Cn1cc(N2CCC[C@@H](Sc3nc(N)c(C#N)cc3-c3nn[n-]n3)C2=O)cn1 ZINC000737612131 599161864 /nfs/dbraw/zinc/16/18/64/599161864.db2.gz XDVWEESLANNBRU-GFCCVEGCSA-N -1 3 396.440 0.737 20 30 GCEDHM CC1(C)NC(=O)N(CCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1=O ZINC000736214677 599198775 /nfs/dbraw/zinc/19/87/75/599198775.db2.gz PHUBQGPZVGPCFA-UHFFFAOYSA-N -1 3 382.384 0.787 20 30 GCEDHM CC1(C)NC(=O)N(CCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1=O ZINC000736214677 599198777 /nfs/dbraw/zinc/19/87/77/599198777.db2.gz PHUBQGPZVGPCFA-UHFFFAOYSA-N -1 3 382.384 0.787 20 30 GCEDHM N#Cc1cnccc1NC(=O)CCCCC(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000737728664 599252297 /nfs/dbraw/zinc/25/22/97/599252297.db2.gz SUFXQDLLSLZDTH-UHFFFAOYSA-N -1 3 391.395 0.510 20 30 GCEDHM N#Cc1cnccc1NC(=O)CCCCC(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000737728664 599252300 /nfs/dbraw/zinc/25/23/00/599252300.db2.gz SUFXQDLLSLZDTH-UHFFFAOYSA-N -1 3 391.395 0.510 20 30 GCEDHM Cc1c(NC(=O)NCCNC(=O)C2N=CC=CC2=O)cccc1-c1nn[n-]n1 ZINC000822096043 607283245 /nfs/dbraw/zinc/28/32/45/607283245.db2.gz JILNKJBXDVMXLA-JQIJEIRASA-N -1 3 382.384 0.823 20 30 GCEDHM Cc1c(NC(=O)NCCNC(=O)C2N=CC=CC2=O)cccc1-c1nn[n-]n1 ZINC000822096044 607283259 /nfs/dbraw/zinc/28/32/59/607283259.db2.gz JILNKJBXDVMXLA-PEZBUJJGSA-N -1 3 382.384 0.823 20 30 GCEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1S[C@H]1CCN(CC(F)(F)F)C1=O ZINC000737705270 599288359 /nfs/dbraw/zinc/28/83/59/599288359.db2.gz NCDYQAYEEHQYGC-QMMMGPOBSA-N -1 3 384.347 0.971 20 30 GCEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1S[C@H]1CCN(CC(F)(F)F)C1=O ZINC000737705270 599288361 /nfs/dbraw/zinc/28/83/61/599288361.db2.gz NCDYQAYEEHQYGC-QMMMGPOBSA-N -1 3 384.347 0.971 20 30 GCEDHM N#CC1CCN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)CC1 ZINC000737679537 598335382 /nfs/dbraw/zinc/33/53/82/598335382.db2.gz RGPXOIWKCHXRPQ-UHFFFAOYSA-N -1 3 380.412 0.824 20 30 GCEDHM N#CC1CCN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)CC1 ZINC000737679537 598335384 /nfs/dbraw/zinc/33/53/84/598335384.db2.gz RGPXOIWKCHXRPQ-UHFFFAOYSA-N -1 3 380.412 0.824 20 30 GCEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC000735904114 598373577 /nfs/dbraw/zinc/37/35/77/598373577.db2.gz LCMWZWJSPFCFDR-LBPRGKRZSA-N -1 3 385.384 0.343 20 30 GCEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC000735904114 598373579 /nfs/dbraw/zinc/37/35/79/598373579.db2.gz LCMWZWJSPFCFDR-LBPRGKRZSA-N -1 3 385.384 0.343 20 30 GCEDHM N#CCN1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000737696330 598429057 /nfs/dbraw/zinc/42/90/57/598429057.db2.gz QCSBVYWSQWBWNA-UHFFFAOYSA-N -1 3 381.849 0.786 20 30 GCEDHM N#CCN1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000737696330 598429060 /nfs/dbraw/zinc/42/90/60/598429060.db2.gz QCSBVYWSQWBWNA-UHFFFAOYSA-N -1 3 381.849 0.786 20 30 GCEDHM N#CCN1CCC(NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC000737695544 598430698 /nfs/dbraw/zinc/43/06/98/598430698.db2.gz LBMQXPQXCFHYAX-UHFFFAOYSA-N -1 3 396.459 0.081 20 30 GCEDHM N#CCN1CCC(NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC000737695544 598430699 /nfs/dbraw/zinc/43/06/99/598430699.db2.gz LBMQXPQXCFHYAX-UHFFFAOYSA-N -1 3 396.459 0.081 20 30 GCEDHM N#Cc1ccc(N2CCC(NC(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)nc1 ZINC000737718656 598452907 /nfs/dbraw/zinc/45/29/07/598452907.db2.gz OMDQILTWPHYDKQ-UHFFFAOYSA-N -1 3 375.396 0.927 20 30 GCEDHM N#Cc1ccc(N2CCC(NC(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)nc1 ZINC000737718656 598452908 /nfs/dbraw/zinc/45/29/08/598452908.db2.gz OMDQILTWPHYDKQ-UHFFFAOYSA-N -1 3 375.396 0.927 20 30 GCEDHM C=CCN(CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000735416416 598538706 /nfs/dbraw/zinc/53/87/06/598538706.db2.gz JIGHIXBCNBJQCZ-CQSZACIVSA-N -1 3 376.442 0.480 20 30 GCEDHM C=CCN(CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000735416416 598538708 /nfs/dbraw/zinc/53/87/08/598538708.db2.gz JIGHIXBCNBJQCZ-CQSZACIVSA-N -1 3 376.442 0.480 20 30 GCEDHM C=CCN(C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000735416593 598538856 /nfs/dbraw/zinc/53/88/56/598538856.db2.gz NQBJLGCNBVDOQT-LSDHHAIUSA-N -1 3 393.469 0.282 20 30 GCEDHM N#CCNC(=O)COC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000737695901 598542148 /nfs/dbraw/zinc/54/21/48/598542148.db2.gz MPWCECSQLUJNCQ-UHFFFAOYSA-N -1 3 382.336 0.835 20 30 GCEDHM N#CCNC(=O)COC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000737695901 598542150 /nfs/dbraw/zinc/54/21/50/598542150.db2.gz MPWCECSQLUJNCQ-UHFFFAOYSA-N -1 3 382.336 0.835 20 30 GCEDHM C=CCN(CCC(=O)Nc1ccccc1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000735418295 598581369 /nfs/dbraw/zinc/58/13/69/598581369.db2.gz ACNDPHNKBNXUAE-ZDUSSCGKSA-N -1 3 390.469 0.870 20 30 GCEDHM C=CCN(CCC(=O)Nc1ccccc1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000735418295 598581371 /nfs/dbraw/zinc/58/13/71/598581371.db2.gz ACNDPHNKBNXUAE-ZDUSSCGKSA-N -1 3 390.469 0.870 20 30 GCEDHM Cc1c(C(=O)C=Cc2cn(C)c(=O)n(C)c2=O)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203043 598640691 /nfs/dbraw/zinc/64/06/91/598640691.db2.gz RLMBTSUFHAZJCQ-SREVYHEPSA-N -1 3 381.396 0.216 20 30 GCEDHM Cc1c(C(=O)C=Cc2cn(C)c(=O)n(C)c2=O)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203043 598640693 /nfs/dbraw/zinc/64/06/93/598640693.db2.gz RLMBTSUFHAZJCQ-SREVYHEPSA-N -1 3 381.396 0.216 20 30 GCEDHM CCc1nn(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(=O)c(C#N)c1CC ZINC000736705333 598643132 /nfs/dbraw/zinc/64/31/32/598643132.db2.gz GOHBENWRTISRHJ-UHFFFAOYSA-N -1 3 392.423 0.736 20 30 GCEDHM CCc1nn(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(=O)c(C#N)c1CC ZINC000736705333 598643134 /nfs/dbraw/zinc/64/31/34/598643134.db2.gz GOHBENWRTISRHJ-UHFFFAOYSA-N -1 3 392.423 0.736 20 30 GCEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCNC(=O)C1N=CC=CC1=O ZINC000737797084 598697924 /nfs/dbraw/zinc/69/79/24/598697924.db2.gz DJNZZGIFUQEERR-SORRUULJSA-N -1 3 379.380 0.523 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)C1=O ZINC000735426318 598710487 /nfs/dbraw/zinc/71/04/87/598710487.db2.gz PJRHVQXSEWEYGN-UHFFFAOYSA-N -1 3 388.315 0.026 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)C1=O ZINC000735426318 598710488 /nfs/dbraw/zinc/71/04/88/598710488.db2.gz PJRHVQXSEWEYGN-UHFFFAOYSA-N -1 3 388.315 0.026 20 30 GCEDHM O=C(NCCNC(=O)C1N=CC=CC1=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000738075925 598731086 /nfs/dbraw/zinc/73/10/86/598731086.db2.gz SMZQFZAXRIGEDF-JQIJEIRASA-N -1 3 382.384 0.192 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCN1C1CC1 ZINC000737686592 598758416 /nfs/dbraw/zinc/75/84/16/598758416.db2.gz ZAHLHCNNSUDRAH-NSHDSACASA-N -1 3 377.405 0.367 20 30 GCEDHM C=CCNC(=O)NC(=O)CN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735431398 598766046 /nfs/dbraw/zinc/76/60/46/598766046.db2.gz CZFNFPMPIHTHRM-UHFFFAOYSA-N -1 3 385.428 0.722 20 30 GCEDHM C#CCNC(=O)CN1CCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000735381792 598808480 /nfs/dbraw/zinc/80/84/80/598808480.db2.gz QZPOUADLRGSVIA-CMDGGOBGSA-N -1 3 393.451 0.164 20 30 GCEDHM C#CCNC(=O)CN1CCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000735381792 598808481 /nfs/dbraw/zinc/80/84/81/598808481.db2.gz QZPOUADLRGSVIA-CMDGGOBGSA-N -1 3 393.451 0.164 20 30 GCEDHM C#CCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1-c1nnn[n-]1 ZINC000735375929 598819204 /nfs/dbraw/zinc/81/92/04/598819204.db2.gz UEGICXHXVLUUHO-CYBMUJFWSA-N -1 3 383.437 0.958 20 30 GCEDHM C#CCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1-c1nn[n-]n1 ZINC000735375929 598819206 /nfs/dbraw/zinc/81/92/06/598819206.db2.gz UEGICXHXVLUUHO-CYBMUJFWSA-N -1 3 383.437 0.958 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826407261 607375520 /nfs/dbraw/zinc/37/55/20/607375520.db2.gz HAWDMRLAUHLARF-VLGSPTGOSA-N -1 3 396.363 0.509 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826407261 607375522 /nfs/dbraw/zinc/37/55/22/607375522.db2.gz HAWDMRLAUHLARF-VLGSPTGOSA-N -1 3 396.363 0.509 20 30 GCEDHM NS(=O)(=O)c1ccc(N=NCc2cnc3ccc(-c4nnn[n-]4)cn23)nc1 ZINC000737769441 599459394 /nfs/dbraw/zinc/45/93/94/599459394.db2.gz JZWLKAKAAQOPSI-UHFFFAOYSA-N -1 3 384.385 0.003 20 30 GCEDHM NS(=O)(=O)c1ccc(N=NCc2cnc3ccc(-c4nn[n-]n4)cn23)nc1 ZINC000737769441 599459396 /nfs/dbraw/zinc/45/93/96/599459396.db2.gz JZWLKAKAAQOPSI-UHFFFAOYSA-N -1 3 384.385 0.003 20 30 GCEDHM Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1-c1nnn[n-]1 ZINC000822312699 599605979 /nfs/dbraw/zinc/60/59/79/599605979.db2.gz IUNZCXPFMQQBCS-CYBMUJFWSA-N -1 3 380.412 0.312 20 30 GCEDHM Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1-c1nn[n-]n1 ZINC000822312699 599605980 /nfs/dbraw/zinc/60/59/80/599605980.db2.gz IUNZCXPFMQQBCS-CYBMUJFWSA-N -1 3 380.412 0.312 20 30 GCEDHM CC(C)Oc1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1-c1nnn[n-]1 ZINC000820155596 607436399 /nfs/dbraw/zinc/43/63/99/607436399.db2.gz SJVWLJVCTGADGV-LBPRGKRZSA-N -1 3 385.384 0.343 20 30 GCEDHM CC(C)Oc1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1-c1nn[n-]n1 ZINC000820155596 607436401 /nfs/dbraw/zinc/43/64/01/607436401.db2.gz SJVWLJVCTGADGV-LBPRGKRZSA-N -1 3 385.384 0.343 20 30 GCEDHM C=CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000823903706 607464111 /nfs/dbraw/zinc/46/41/11/607464111.db2.gz HZMKKEILCGMKNK-GFCCVEGCSA-N -1 3 394.457 0.690 20 30 GCEDHM Cc1cccc(S(=O)(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1C#N ZINC000826303355 607587665 /nfs/dbraw/zinc/58/76/65/607587665.db2.gz LIAIKEDBVDSREB-UHFFFAOYSA-N -1 3 384.425 0.832 20 30 GCEDHM Cc1cccc(S(=O)(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1C#N ZINC000826303355 607587666 /nfs/dbraw/zinc/58/76/66/607587666.db2.gz LIAIKEDBVDSREB-UHFFFAOYSA-N -1 3 384.425 0.832 20 30 GCEDHM N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000826387727 607696862 /nfs/dbraw/zinc/69/68/62/607696862.db2.gz NOCWCBDMZWOELY-UHFFFAOYSA-N -1 3 379.384 0.894 20 30 GCEDHM N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000826387727 607696863 /nfs/dbraw/zinc/69/68/63/607696863.db2.gz NOCWCBDMZWOELY-UHFFFAOYSA-N -1 3 379.384 0.894 20 30 GCEDHM N#Cc1ccc(C(=O)N[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)[nH]1 ZINC000826384375 607719727 /nfs/dbraw/zinc/71/97/27/607719727.db2.gz SEOAYQZYJRWVBG-CQSZACIVSA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1ccc(C(=O)N[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)[nH]1 ZINC000826384375 607719728 /nfs/dbraw/zinc/71/97/28/607719728.db2.gz SEOAYQZYJRWVBG-CQSZACIVSA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[nH]1 ZINC000826384366 607743048 /nfs/dbraw/zinc/74/30/48/607743048.db2.gz SBJOPFZEOZIDQU-JQWIXIFHSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[nH]1 ZINC000826384366 607743049 /nfs/dbraw/zinc/74/30/49/607743049.db2.gz SBJOPFZEOZIDQU-JQWIXIFHSA-N -1 3 393.411 0.723 20 30 GCEDHM C#CCN1CCN(C(=O)CSc2nc3c(c(C)c2-c2nnn[n-]2)CCC3)CC1 ZINC000819702446 606019652 /nfs/dbraw/zinc/01/96/52/606019652.db2.gz ZJMRRDVCVQSZCO-UHFFFAOYSA-N -1 3 397.508 0.928 20 30 GCEDHM C#CCN1CCN(C(=O)CSc2nc3c(c(C)c2-c2nn[n-]n2)CCC3)CC1 ZINC000819702446 606019655 /nfs/dbraw/zinc/01/96/55/606019655.db2.gz ZJMRRDVCVQSZCO-UHFFFAOYSA-N -1 3 397.508 0.928 20 30 GCEDHM N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000822845943 606256063 /nfs/dbraw/zinc/25/60/63/606256063.db2.gz JKODWXYKHDEXMZ-UHFFFAOYSA-N -1 3 379.384 0.894 20 30 GCEDHM N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000822845943 606256065 /nfs/dbraw/zinc/25/60/65/606256065.db2.gz JKODWXYKHDEXMZ-UHFFFAOYSA-N -1 3 379.384 0.894 20 30 GCEDHM CC(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(C#N)c[nH]1 ZINC000820021396 606321093 /nfs/dbraw/zinc/32/10/93/606321093.db2.gz TUMZVVMTWIPYPR-AWEZNQCLSA-N -1 3 381.400 0.579 20 30 GCEDHM CC(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(C#N)c[nH]1 ZINC000820021396 606321095 /nfs/dbraw/zinc/32/10/95/606321095.db2.gz TUMZVVMTWIPYPR-AWEZNQCLSA-N -1 3 381.400 0.579 20 30 GCEDHM N#C[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822806519 606343649 /nfs/dbraw/zinc/34/36/49/606343649.db2.gz PGESPNUEVLKSSS-QMMMGPOBSA-N -1 3 388.331 0.799 20 30 GCEDHM N#C[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822806519 606343651 /nfs/dbraw/zinc/34/36/51/606343651.db2.gz PGESPNUEVLKSSS-QMMMGPOBSA-N -1 3 388.331 0.799 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000819750885 606347186 /nfs/dbraw/zinc/34/71/86/606347186.db2.gz JSSGOCSVGLSUSY-SNVBAGLBSA-N -1 3 384.352 0.448 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000819750885 606347188 /nfs/dbraw/zinc/34/71/88/606347188.db2.gz JSSGOCSVGLSUSY-SNVBAGLBSA-N -1 3 384.352 0.448 20 30 GCEDHM Cn1cc(C#N)cc1C(=O)OC/C=C/COC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822669803 606388304 /nfs/dbraw/zinc/38/83/04/606388304.db2.gz QFRRQXMMKNZUHW-ONEGZZNKSA-N -1 3 395.379 0.985 20 30 GCEDHM Cn1cc(C#N)cc1C(=O)OC/C=C/COC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822669803 606388307 /nfs/dbraw/zinc/38/83/07/606388307.db2.gz QFRRQXMMKNZUHW-ONEGZZNKSA-N -1 3 395.379 0.985 20 30 GCEDHM C#CCN(CC#C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1CCCOC ZINC000819698084 606450899 /nfs/dbraw/zinc/45/08/99/606450899.db2.gz SBQGFGBIOGSMKC-UHFFFAOYSA-N -1 3 383.456 0.828 20 30 GCEDHM C#CCN(CC#C)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1CCCOC ZINC000819698084 606450900 /nfs/dbraw/zinc/45/09/00/606450900.db2.gz SBQGFGBIOGSMKC-UHFFFAOYSA-N -1 3 383.456 0.828 20 30 GCEDHM N#CCN1CCC(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000822810498 606749399 /nfs/dbraw/zinc/74/93/99/606749399.db2.gz JMRXSEFSQADYAT-UHFFFAOYSA-N -1 3 379.421 0.520 20 30 GCEDHM N#CCN1CCC(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000822810498 606749400 /nfs/dbraw/zinc/74/94/00/606749400.db2.gz JMRXSEFSQADYAT-UHFFFAOYSA-N -1 3 379.421 0.520 20 30 GCEDHM C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819751406 606758219 /nfs/dbraw/zinc/75/82/19/606758219.db2.gz UIOUVPBMZFIHBG-ZETCQYMHSA-N -1 3 380.311 0.702 20 30 GCEDHM C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819751406 606758221 /nfs/dbraw/zinc/75/82/21/606758221.db2.gz UIOUVPBMZFIHBG-ZETCQYMHSA-N -1 3 380.311 0.702 20 30 GCEDHM c1nc2ccc(-c3nnn[n-]3)cn2c1CN=Nc1nccc(N2CCOCC2)n1 ZINC000819718835 606819918 /nfs/dbraw/zinc/81/99/18/606819918.db2.gz SLMAEXYSTDHVRH-UHFFFAOYSA-N -1 3 391.399 0.587 20 30 GCEDHM c1nc2ccc(-c3nn[n-]n3)cn2c1CN=Nc1nccc(N2CCOCC2)n1 ZINC000819718835 606819919 /nfs/dbraw/zinc/81/99/19/606819919.db2.gz SLMAEXYSTDHVRH-UHFFFAOYSA-N -1 3 391.399 0.587 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CCN1C1CC1 ZINC000822806626 606890878 /nfs/dbraw/zinc/89/08/78/606890878.db2.gz QHYJXUJVJZNLLY-NSHDSACASA-N -1 3 395.395 0.506 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCN1C1CC1 ZINC000822806626 606890880 /nfs/dbraw/zinc/89/08/80/606890880.db2.gz QHYJXUJVJZNLLY-NSHDSACASA-N -1 3 395.395 0.506 20 30 GCEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820803942 606910846 /nfs/dbraw/zinc/91/08/46/606910846.db2.gz JZGLVCZPDYLCNB-DYVFJYSZSA-N -1 3 391.439 0.772 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(CC#N)C1CC1 ZINC000820437596 607000329 /nfs/dbraw/zinc/00/03/29/607000329.db2.gz AFQHDBUPIBPEOV-SNVBAGLBSA-N -1 3 375.414 0.048 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(CC#N)C1CC1 ZINC000820437596 607000331 /nfs/dbraw/zinc/00/03/31/607000331.db2.gz AFQHDBUPIBPEOV-SNVBAGLBSA-N -1 3 375.414 0.048 20 30 GCEDHM C=CCSCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819759172 607010212 /nfs/dbraw/zinc/01/02/12/607010212.db2.gz PKLJQLRANZOAKR-NSHDSACASA-N -1 3 396.498 0.569 20 30 GCEDHM C=CCSCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819759172 607010214 /nfs/dbraw/zinc/01/02/14/607010214.db2.gz PKLJQLRANZOAKR-NSHDSACASA-N -1 3 396.498 0.569 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC(C#N)CC1 ZINC000820438172 607016316 /nfs/dbraw/zinc/01/63/16/607016316.db2.gz JRTWCQNGKNTRPI-LLVKDONJSA-N -1 3 389.441 0.296 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(C#N)CC1 ZINC000820438172 607016317 /nfs/dbraw/zinc/01/63/17/607016317.db2.gz JRTWCQNGKNTRPI-LLVKDONJSA-N -1 3 389.441 0.296 20 30 GCEDHM CCC[C@@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821009381 607018759 /nfs/dbraw/zinc/01/87/59/607018759.db2.gz QAVHRZGZKQHNPO-PWSUYJOCSA-N -1 3 377.430 0.342 20 30 GCEDHM CCC[C@@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821009381 607018760 /nfs/dbraw/zinc/01/87/60/607018760.db2.gz QAVHRZGZKQHNPO-PWSUYJOCSA-N -1 3 377.430 0.342 20 30 GCEDHM C=C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819730269 607022112 /nfs/dbraw/zinc/02/21/12/607022112.db2.gz UPDZWHDDNZOVQA-LBPRGKRZSA-N -1 3 376.442 0.712 20 30 GCEDHM C=C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819730269 607022113 /nfs/dbraw/zinc/02/21/13/607022113.db2.gz UPDZWHDDNZOVQA-LBPRGKRZSA-N -1 3 376.442 0.712 20 30 GCEDHM C=CC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819729819 607025411 /nfs/dbraw/zinc/02/54/11/607025411.db2.gz NESKEJREDPJNPG-LBPRGKRZSA-N -1 3 390.469 0.958 20 30 GCEDHM C=CC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819729819 607025413 /nfs/dbraw/zinc/02/54/13/607025413.db2.gz NESKEJREDPJNPG-LBPRGKRZSA-N -1 3 390.469 0.958 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)C1=O ZINC000819751659 607081891 /nfs/dbraw/zinc/08/18/91/607081891.db2.gz YWQGWEBQYNIHKS-UHFFFAOYSA-N -1 3 388.315 0.026 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)C1=O ZINC000819751659 607081892 /nfs/dbraw/zinc/08/18/92/607081892.db2.gz YWQGWEBQYNIHKS-UHFFFAOYSA-N -1 3 388.315 0.026 20 30 GCEDHM CC(C)[C@@H](C#N)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820451537 607082849 /nfs/dbraw/zinc/08/28/49/607082849.db2.gz VQODZWXJOFGXGR-ZWNOBZJWSA-N -1 3 378.414 0.625 20 30 GCEDHM CC(C)[C@@H](C#N)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820451537 607082851 /nfs/dbraw/zinc/08/28/51/607082851.db2.gz VQODZWXJOFGXGR-ZWNOBZJWSA-N -1 3 378.414 0.625 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000819743631 607144927 /nfs/dbraw/zinc/14/49/27/607144927.db2.gz MXVNFMFKOHGHAH-CABCVRRESA-N -1 3 385.428 0.597 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000819743631 607144929 /nfs/dbraw/zinc/14/49/29/607144929.db2.gz MXVNFMFKOHGHAH-CABCVRRESA-N -1 3 385.428 0.597 20 30 GCEDHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)S(=O)(=O)C1CCOCC1 ZINC000819867085 607237978 /nfs/dbraw/zinc/23/79/78/607237978.db2.gz RBDVRVQVXSRFLH-JTQLQIEISA-N -1 3 390.425 0.659 20 30 GCEDHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)S(=O)(=O)C1CCOCC1 ZINC000819867085 607237979 /nfs/dbraw/zinc/23/79/79/607237979.db2.gz RBDVRVQVXSRFLH-JTQLQIEISA-N -1 3 390.425 0.659 20 30 GCEDHM NC(=NOCC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)CCO2 ZINC000826388202 607812160 /nfs/dbraw/zinc/81/21/60/607812160.db2.gz MSROBOAWMGXJOF-UHFFFAOYSA-N -1 3 393.407 0.755 20 30 GCEDHM C#CCOCCC(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nnn[n-]1 ZINC000823850016 607880689 /nfs/dbraw/zinc/88/06/89/607880689.db2.gz HBUKBZVJMJLOLW-UHFFFAOYSA-N -1 3 394.439 0.723 20 30 GCEDHM C#CCOCCC(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nn[n-]n1 ZINC000823850016 607880690 /nfs/dbraw/zinc/88/06/90/607880690.db2.gz HBUKBZVJMJLOLW-UHFFFAOYSA-N -1 3 394.439 0.723 20 30 GCEDHM CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)co1 ZINC000825875136 607926157 /nfs/dbraw/zinc/92/61/57/607926157.db2.gz AJISRCWGDDEHTQ-UHFFFAOYSA-N -1 3 387.381 0.834 20 30 GCEDHM CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)co1 ZINC000825875136 607926158 /nfs/dbraw/zinc/92/61/58/607926158.db2.gz AJISRCWGDDEHTQ-UHFFFAOYSA-N -1 3 387.381 0.834 20 30 GCEDHM N#CCOc1cccc(CC(=O)NCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000826381946 608026834 /nfs/dbraw/zinc/02/68/34/608026834.db2.gz HETRRBDSSLFAJX-UHFFFAOYSA-N -1 3 378.396 0.935 20 30 GCEDHM N#CCOc1cccc(CC(=O)NCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000826381946 608026835 /nfs/dbraw/zinc/02/68/35/608026835.db2.gz HETRRBDSSLFAJX-UHFFFAOYSA-N -1 3 378.396 0.935 20 30 GCEDHM Cc1oc(NC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)c(-c2nnn[n-]2)c1C ZINC000826341544 608035348 /nfs/dbraw/zinc/03/53/48/608035348.db2.gz KDNJQEOYDQSOPS-UHFFFAOYSA-N -1 3 398.431 0.757 20 30 GCEDHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000825934682 608035586 /nfs/dbraw/zinc/03/55/86/608035586.db2.gz PTGDOLLVACQPAR-AWEZNQCLSA-N -1 3 380.416 0.135 20 30 GCEDHM CC(=NNC(=S)NCCN1CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823953688 608091657 /nfs/dbraw/zinc/09/16/57/608091657.db2.gz LZYGECGULGEPGM-UHFFFAOYSA-N -1 3 380.503 0.449 20 30 GCEDHM C#CCOCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000823856226 608125487 /nfs/dbraw/zinc/12/54/87/608125487.db2.gz NDQCRSAYAXQXHO-UHFFFAOYSA-N -1 3 375.332 0.814 20 30 GCEDHM C#CCOCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000823856226 608125488 /nfs/dbraw/zinc/12/54/88/608125488.db2.gz NDQCRSAYAXQXHO-UHFFFAOYSA-N -1 3 375.332 0.814 20 30 GCEDHM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000824974662 608167733 /nfs/dbraw/zinc/16/77/33/608167733.db2.gz CWDKTAKJRRAHRM-JTQLQIEISA-N -1 3 379.384 0.381 20 30 GCEDHM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000824974662 608167735 /nfs/dbraw/zinc/16/77/35/608167735.db2.gz CWDKTAKJRRAHRM-JTQLQIEISA-N -1 3 379.384 0.381 20 30 GCEDHM C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824977956 608172239 /nfs/dbraw/zinc/17/22/39/608172239.db2.gz TXALCVCIXVQYIP-SNVBAGLBSA-N -1 3 379.384 0.381 20 30 GCEDHM C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824977956 608172241 /nfs/dbraw/zinc/17/22/41/608172241.db2.gz TXALCVCIXVQYIP-SNVBAGLBSA-N -1 3 379.384 0.381 20 30 GCEDHM C#CCN(C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000823845492 608352033 /nfs/dbraw/zinc/35/20/33/608352033.db2.gz VCEYGGDBSGCGRH-CYBMUJFWSA-N -1 3 392.416 0.338 20 30 GCEDHM C#CCN(C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000823845492 608352034 /nfs/dbraw/zinc/35/20/34/608352034.db2.gz VCEYGGDBSGCGRH-CYBMUJFWSA-N -1 3 392.416 0.338 20 30 GCEDHM C#C[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823838335 608454519 /nfs/dbraw/zinc/45/45/19/608454519.db2.gz OHJQULNKZBKNDF-QMTHXVAHSA-N -1 3 375.410 0.489 20 30 GCEDHM C#C[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823838335 608454520 /nfs/dbraw/zinc/45/45/20/608454520.db2.gz OHJQULNKZBKNDF-QMTHXVAHSA-N -1 3 375.410 0.489 20 30 GCEDHM C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000823888482 608470274 /nfs/dbraw/zinc/47/02/74/608470274.db2.gz NSCPTQKZLDGNPU-SECBINFHSA-N -1 3 396.354 0.707 20 30 GCEDHM C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000823888482 608470275 /nfs/dbraw/zinc/47/02/75/608470275.db2.gz NSCPTQKZLDGNPU-SECBINFHSA-N -1 3 396.354 0.707 20 30 GCEDHM Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)nn1CCC#N ZINC000826269308 608490419 /nfs/dbraw/zinc/49/04/19/608490419.db2.gz HYJRDLWGUZICGR-UHFFFAOYSA-N -1 3 393.411 0.882 20 30 GCEDHM Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)nn1CCC#N ZINC000826269308 608490421 /nfs/dbraw/zinc/49/04/21/608490421.db2.gz HYJRDLWGUZICGR-UHFFFAOYSA-N -1 3 393.411 0.882 20 30 GCEDHM Cc1cc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)nn1CCC#N ZINC000826270046 608565234 /nfs/dbraw/zinc/56/52/34/608565234.db2.gz ITYPPASPOSGQLY-UHFFFAOYSA-N -1 3 379.384 0.654 20 30 GCEDHM Cc1cc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)nn1CCC#N ZINC000826270046 608565235 /nfs/dbraw/zinc/56/52/35/608565235.db2.gz ITYPPASPOSGQLY-UHFFFAOYSA-N -1 3 379.384 0.654 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)N2CCN(c3cnccc3-c3nnn[n-]3)CC2)cc1 ZINC000826386309 608770372 /nfs/dbraw/zinc/77/03/72/608770372.db2.gz YOXAKFBBVLKOOV-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)N2CCN(c3cnccc3-c3nn[n-]n3)CC2)cc1 ZINC000826386309 608770375 /nfs/dbraw/zinc/77/03/75/608770375.db2.gz YOXAKFBBVLKOOV-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM C#CCN1CCN(C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)CC1 ZINC000823851041 609150476 /nfs/dbraw/zinc/15/04/76/609150476.db2.gz XXQNFQDQPBYAQV-UHFFFAOYSA-N -1 3 376.424 0.752 20 30 GCEDHM C#CCN1CCN(C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)CC1 ZINC000823851041 609150477 /nfs/dbraw/zinc/15/04/77/609150477.db2.gz XXQNFQDQPBYAQV-UHFFFAOYSA-N -1 3 376.424 0.752 20 30 GCEDHM N#C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000826380974 609206534 /nfs/dbraw/zinc/20/65/34/609206534.db2.gz SLPSJRSMDILNPO-CABCVRRESA-N -1 3 396.411 0.296 20 30 GCEDHM N#C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000826380974 609206535 /nfs/dbraw/zinc/20/65/35/609206535.db2.gz SLPSJRSMDILNPO-CABCVRRESA-N -1 3 396.411 0.296 20 30 GCEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000826385225 609256882 /nfs/dbraw/zinc/25/68/82/609256882.db2.gz BYPQOICDJCVUQK-OAHLLOKOSA-N -1 3 393.411 0.729 20 30 GCEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000826385225 609256883 /nfs/dbraw/zinc/25/68/83/609256883.db2.gz BYPQOICDJCVUQK-OAHLLOKOSA-N -1 3 393.411 0.729 20 30 GCEDHM Cn1cc(C=NN[C@H]2CCS(=O)(=O)C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359361 609302934 /nfs/dbraw/zinc/30/29/34/609302934.db2.gz DUBOTIUEZLOJNI-AWEZNQCLSA-N -1 3 386.441 0.378 20 30 GCEDHM Cn1cc(C=NN[C@H]2CCS(=O)(=O)C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359361 609302936 /nfs/dbraw/zinc/30/29/36/609302936.db2.gz DUBOTIUEZLOJNI-AWEZNQCLSA-N -1 3 386.441 0.378 20 30 GCEDHM COc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1-n1cnnn1 ZINC000826187482 609387526 /nfs/dbraw/zinc/38/75/26/609387526.db2.gz RZJLGQBMBNQVIM-UHFFFAOYSA-N -1 3 388.351 0.975 20 30 GCEDHM COc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1-n1cnnn1 ZINC000826187482 609387528 /nfs/dbraw/zinc/38/75/28/609387528.db2.gz RZJLGQBMBNQVIM-UHFFFAOYSA-N -1 3 388.351 0.975 20 30 GCEDHM CC(C)(C#N)CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824058859 609413158 /nfs/dbraw/zinc/41/31/58/609413158.db2.gz FZNAVNIDZRMDPE-UHFFFAOYSA-N -1 3 397.374 0.796 20 30 GCEDHM CC(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC000824191406 609457869 /nfs/dbraw/zinc/45/78/69/609457869.db2.gz DEEFMVNMEYUPOW-CQSZACIVSA-N -1 3 381.400 0.579 20 30 GCEDHM CC(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC000824191406 609457871 /nfs/dbraw/zinc/45/78/71/609457871.db2.gz DEEFMVNMEYUPOW-CQSZACIVSA-N -1 3 381.400 0.579 20 30 GCEDHM N#CCN1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000826381877 609545696 /nfs/dbraw/zinc/54/56/96/609545696.db2.gz CMYDRCWTXZXREO-UHFFFAOYSA-N -1 3 381.849 0.786 20 30 GCEDHM N#CCN1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826381877 609545697 /nfs/dbraw/zinc/54/56/97/609545697.db2.gz CMYDRCWTXZXREO-UHFFFAOYSA-N -1 3 381.849 0.786 20 30 GCEDHM N#Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c[nH]1 ZINC000826383687 609607060 /nfs/dbraw/zinc/60/70/60/609607060.db2.gz LPQNBQGWLJNGDB-HNNXBMFYSA-N -1 3 376.380 0.992 20 30 GCEDHM N#Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c[nH]1 ZINC000826383687 609607061 /nfs/dbraw/zinc/60/70/61/609607061.db2.gz LPQNBQGWLJNGDB-HNNXBMFYSA-N -1 3 376.380 0.992 20 30 GCEDHM N#Cc1ccc([C@@H](O)C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826384624 609629738 /nfs/dbraw/zinc/62/97/38/609629738.db2.gz COXWAWVUKONWHS-HUUCEWRRSA-N -1 3 378.348 0.542 20 30 GCEDHM N#Cc1ccc([C@@H](O)C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826384624 609629740 /nfs/dbraw/zinc/62/97/40/609629740.db2.gz COXWAWVUKONWHS-HUUCEWRRSA-N -1 3 378.348 0.542 20 30 GCEDHM N#CC1(NC(=O)COC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC000826379995 609632775 /nfs/dbraw/zinc/63/27/75/609632775.db2.gz JLDNCMXGZIGMPM-HNNXBMFYSA-N -1 3 384.396 0.786 20 30 GCEDHM N#CC1(NC(=O)COC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000826379995 609632776 /nfs/dbraw/zinc/63/27/76/609632776.db2.gz JLDNCMXGZIGMPM-HNNXBMFYSA-N -1 3 384.396 0.786 20 30 GCEDHM COC1(C(F)(F)F)CN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000889077534 638561411 /nfs/dbraw/zinc/56/14/11/638561411.db2.gz SWNNJHNCAUPYBR-UHFFFAOYSA-N -1 3 377.344 0.515 20 30 GCEDHM C#CCNS(=O)(=O)N1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000895920025 639034978 /nfs/dbraw/zinc/03/49/78/639034978.db2.gz YQOHKNOWRHCXNO-UHFFFAOYSA-N -1 3 388.287 0.740 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCNS(=O)(=O)CC)ccc1F ZINC000731703442 639775154 /nfs/dbraw/zinc/77/51/54/639775154.db2.gz NGOPYPSMNFORCB-UHFFFAOYSA-N -1 3 394.446 0.386 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC[S@](C)=O ZINC000735052706 640011792 /nfs/dbraw/zinc/01/17/92/640011792.db2.gz YBZQTOWANSKLLE-RZFZLAGVSA-N -1 3 385.511 0.635 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCO[C@@H](C(F)(F)F)C1 ZINC000739762043 640196141 /nfs/dbraw/zinc/19/61/41/640196141.db2.gz JGXRHVOMFGIOMC-LLVKDONJSA-N -1 3 377.344 0.515 20 30 GCEDHM C[C@@H](CC(=O)NCCCS(C)(=O)=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742570163 640246884 /nfs/dbraw/zinc/24/68/84/640246884.db2.gz IVNDKSRYYCLWDW-NSHDSACASA-N -1 3 387.483 0.055 20 30 GCEDHM C[C@H](CC(=O)O[C@H]1CCS(=O)(=O)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744081500 640262220 /nfs/dbraw/zinc/26/22/20/640262220.db2.gz QKQBYANPFCHSFY-MNOVXSKESA-N -1 3 386.451 0.234 20 30 GCEDHM CC(C)OCCS(=O)(=O)[N-]CC(=O)OCC(=O)Nc1sccc1C#N ZINC000748144258 640322585 /nfs/dbraw/zinc/32/25/85/640322585.db2.gz CKMYHBQRLQICRM-UHFFFAOYSA-N -1 3 389.455 0.446 20 30 GCEDHM C[C@H](CC(=O)NC[C@@H](O)C(F)(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000748411813 640325199 /nfs/dbraw/zinc/32/51/99/640325199.db2.gz GJJMHIFJKUCXIF-LDYMZIIASA-N -1 3 379.360 0.543 20 30 GCEDHM C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2cnc(NC(C)=O)s2)c1 ZINC000804960017 640330181 /nfs/dbraw/zinc/33/01/81/640330181.db2.gz QJVPSLYYLUAFKJ-UHFFFAOYSA-N -1 3 378.435 1.000 20 30 GCEDHM C#CCOCCNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000753233430 640425927 /nfs/dbraw/zinc/42/59/27/640425927.db2.gz XYWRGYZVPBVKKI-UHFFFAOYSA-N -1 3 381.273 0.555 20 30 GCEDHM C[C@@H](CC(=O)NC1(C#N)CCOCC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760593897 640576291 /nfs/dbraw/zinc/57/62/91/640576291.db2.gz GEANTCNQHZWXJD-NSHDSACASA-N -1 3 386.861 0.981 20 30 GCEDHM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000770102706 640794829 /nfs/dbraw/zinc/79/48/29/640794829.db2.gz XDJZYPNZPGGFQZ-MKBNYLNASA-N -1 3 375.491 0.936 20 30 GCEDHM Cc1nnc(CNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)s1 ZINC000780035047 641201343 /nfs/dbraw/zinc/20/13/43/641201343.db2.gz NWXBEJNXRKNJID-VIFPVBQESA-N -1 3 379.467 0.980 20 30 GCEDHM CSc1nnc(CNC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)s1 ZINC000782762519 641256377 /nfs/dbraw/zinc/25/63/77/641256377.db2.gz MBKYEBXDORXPQP-UHFFFAOYSA-N -1 3 383.480 0.615 20 30 GCEDHM C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000782986726 641260010 /nfs/dbraw/zinc/26/00/10/641260010.db2.gz FQSGIYLQTOIFBM-UHFFFAOYSA-N -1 3 383.394 0.631 20 30 GCEDHM N#CC1(NC(=O)COC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCC1 ZINC000784212470 641282179 /nfs/dbraw/zinc/28/21/79/641282179.db2.gz FTCKTMLDMZMMQV-UHFFFAOYSA-N -1 3 391.858 0.785 20 30 GCEDHM COC(=O)c1cc(S(=O)(=O)[N-]CC#CCO)c(Br)cc1F ZINC000867467064 641344509 /nfs/dbraw/zinc/34/45/09/641344509.db2.gz GSHGSEPBGOHDCE-UHFFFAOYSA-N -1 3 380.191 0.649 20 30 GCEDHM C#CCN1CCC[C@H]([N-]S(=O)(=O)c2cnn3cc(Br)cnc23)C1 ZINC000885508357 641807048 /nfs/dbraw/zinc/80/70/48/641807048.db2.gz GNAHYRHNYFIEAY-LBPRGKRZSA-N -1 3 398.286 0.868 20 30 GCEDHM O=C(CN1C(=O)COc2cc(Br)ccc21)N[C@@H]1CCCN([O-])C1=O ZINC000816756940 641864724 /nfs/dbraw/zinc/86/47/24/641864724.db2.gz ITZKLDHHIIGNBN-SNVBAGLBSA-N -1 3 398.213 0.671 20 30 GCEDHM O=C(CNC(=O)c1ccc(Br)s1)N[C@H]1CCCN([O-])C1=O ZINC000816753581 641864936 /nfs/dbraw/zinc/86/49/36/641864936.db2.gz LKWPBVAVXKUAOV-ZETCQYMHSA-N -1 3 376.232 0.737 20 30 GCEDHM CCOC(=O)C1=C(C(C)=O)[C@@H](c2cc(-c3nnn[n-]3)cs2)NC(=S)N1 ZINC000821320921 641986073 /nfs/dbraw/zinc/98/60/73/641986073.db2.gz QIHJXAMLZWZDKH-SNVBAGLBSA-N -1 3 378.439 0.853 20 30 GCEDHM CCOC(=O)C1=C(C(C)=O)[C@@H](c2cc(-c3nn[n-]n3)cs2)NC(=S)N1 ZINC000821320921 641986079 /nfs/dbraw/zinc/98/60/79/641986079.db2.gz QIHJXAMLZWZDKH-SNVBAGLBSA-N -1 3 378.439 0.853 20 30 GCEDHM CNC(=O)[C@H](C)Oc1ccc(Br)cc1C=NN1CC(=O)[N-]C1=O ZINC000834932407 642220361 /nfs/dbraw/zinc/22/03/61/642220361.db2.gz FBBIFXVVULDYDS-QMMMGPOBSA-N -1 3 383.202 0.848 20 30 GCEDHM C[C@H](CC(=O)N1CC[C@](O)(CC#N)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000844015059 642388560 /nfs/dbraw/zinc/38/85/60/642388560.db2.gz BXMXJQGJFCMPKU-IAQYHMDHSA-N -1 3 386.861 0.669 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867351909 642399564 /nfs/dbraw/zinc/39/95/64/642399564.db2.gz IRBOXIXOAZTRDW-SFYZADRCSA-N -1 3 383.211 0.647 20 30 GCEDHM Cn1ncc(S(=O)(=O)[N-]CC2(C#N)CCC2)c1I ZINC000867416152 642482970 /nfs/dbraw/zinc/48/29/70/642482970.db2.gz OXRGBPCUUJNTRZ-UHFFFAOYSA-N -1 3 380.211 0.997 20 30 GCEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000848137675 642528788 /nfs/dbraw/zinc/52/87/88/642528788.db2.gz FEIUCXWLPHRGJM-VXGBXAGGSA-N -1 3 387.483 0.788 20 30 GCEDHM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]nc1C)C(C)(C)C ZINC000848961783 642586732 /nfs/dbraw/zinc/58/67/32/642586732.db2.gz CJDLBNLUXJSJKV-ZDUSSCGKSA-N -1 3 376.504 0.817 20 30 GCEDHM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cnc(C)nc1)C(C)(C)C ZINC000848962174 642588498 /nfs/dbraw/zinc/58/84/98/642588498.db2.gz MOQQPNDPCUWAJF-AWEZNQCLSA-N -1 3 388.515 0.884 20 30 GCEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(Br)cc1-n1cnnn1 ZINC000857721312 642946695 /nfs/dbraw/zinc/94/66/95/642946695.db2.gz HEPDHDHTEVGLCN-JTQLQIEISA-N -1 3 381.190 0.535 20 30 GCEDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C(=O)N1c1cnn(C)c1 ZINC000610269808 1184714488 /nfs/dbraw/zinc/71/44/88/1184714488.db2.gz KZNHUXSRMSSYCB-QMTHXVAHSA-N -1 3 377.401 0.903 20 30 GCEDHM CC(C)N1CCC[C@H](OC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1=O ZINC000748158031 1185131024 /nfs/dbraw/zinc/13/10/24/1185131024.db2.gz LWHBDLKTZHZGGH-ZDUSSCGKSA-N -1 3 379.438 0.668 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000478429627 1186516884 /nfs/dbraw/zinc/51/68/84/1186516884.db2.gz FUJFQAPTILTPSS-OAHLLOKOSA-N -1 3 376.457 0.360 20 30 GCEDHM COCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000612624305 1187543829 /nfs/dbraw/zinc/54/38/29/1187543829.db2.gz ZVOXIFZYXJHPIW-CQSZACIVSA-N -1 3 395.481 0.870 20 30 GCEDHM C=CCNS(=O)(=O)c1ccc(C(=O)[N-]N2C(=O)N[C@](C)(CC)C2=O)cc1 ZINC000278821806 1189382953 /nfs/dbraw/zinc/38/29/53/1189382953.db2.gz PPNPYTKLCKPMQA-MRXNPFEDSA-N -1 3 380.426 0.516 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](c3ncon3)C2)ccc1F ZINC000364267792 1189726949 /nfs/dbraw/zinc/72/69/49/1189726949.db2.gz MFHXYWMMKOQAOX-CYBMUJFWSA-N -1 3 396.400 0.887 20 30 GCEDHM C[C@H](CC(=O)N[C@H](C(N)=O)C(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000759827600 1189766120 /nfs/dbraw/zinc/76/61/20/1189766120.db2.gz JTPMTOZQEGDPLX-QMTHXVAHSA-N -1 3 380.470 0.520 20 30 GCEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCS(=O)CC1 ZINC000729278826 1193910702 /nfs/dbraw/zinc/91/07/02/1193910702.db2.gz WHPKTUKKZQXDQJ-CQSZACIVSA-N -1 3 397.522 0.875 20 30 GCEDHM COC(=O)[C@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)Cc1ccc([O-])c(F)c1 ZINC000420768305 1194264189 /nfs/dbraw/zinc/26/41/89/1194264189.db2.gz OGKYANHHLBFKIV-YPMHNXCESA-N -1 3 387.433 0.931 20 30 GCEDHM COC(=O)[C@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)Cc1ccc([O-])c(F)c1 ZINC000420768298 1194264347 /nfs/dbraw/zinc/26/43/47/1194264347.db2.gz OGKYANHHLBFKIV-AAEUAGOBSA-N -1 3 387.433 0.931 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)NC(=O)NCC(C)C ZINC000017223574 1194761581 /nfs/dbraw/zinc/76/15/81/1194761581.db2.gz PVSFSTMLUXNNIZ-UHFFFAOYSA-N -1 3 376.413 0.821 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000515926783 1195009134 /nfs/dbraw/zinc/00/91/34/1195009134.db2.gz CFVHQAWRXIZCHN-UHFFFAOYSA-N -1 3 397.420 0.579 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000515926783 1195009138 /nfs/dbraw/zinc/00/91/38/1195009138.db2.gz CFVHQAWRXIZCHN-UHFFFAOYSA-N -1 3 397.420 0.579 20 30 GCEDHM Cc1cc(C(C#N)=C([O-])c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)nc(C)n1 ZINC000439555668 1195330045 /nfs/dbraw/zinc/33/00/45/1195330045.db2.gz GCFBAYIXRHSMHF-GFCCVEGCSA-N -1 3 378.392 0.838 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000018044262 1195377924 /nfs/dbraw/zinc/37/79/24/1195377924.db2.gz NUTMUZZRSSDEOP-TXEJJXNPSA-N -1 3 375.425 0.975 20 30 GCEDHM N#Cc1ccc([C@H](NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C(N)=O)cc1 ZINC000442088820 1195953855 /nfs/dbraw/zinc/95/38/55/1195953855.db2.gz ARQXGBULWAQKMO-INIZCTEOSA-N -1 3 394.403 0.931 20 30 GCEDHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCC(=O)NC1(C#N)CCCCC1 ZINC000019610885 1195963944 /nfs/dbraw/zinc/96/39/44/1195963944.db2.gz NYSSOWJAYCHPHJ-UHFFFAOYSA-N -1 3 398.441 0.456 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NCc1nc(CNC(=O)[C@H]2OCC[C@H]2C)cc(=O)[n-]1 ZINC000984133582 1195977742 /nfs/dbraw/zinc/97/77/42/1195977742.db2.gz IBOVTHQUXHPPHN-CVGURMSBSA-N -1 3 390.440 0.431 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)ccc1F ZINC000281670551 1196320886 /nfs/dbraw/zinc/32/08/86/1196320886.db2.gz TUMQRMLUGSZFTN-KBPBESRZSA-N -1 3 399.488 0.817 20 30 GCEDHM CC(C)C[C@H]([N-]S(=O)(=O)N(C)C[C@@H](C)C#N)c1nc(-c2nc[nH]n2)no1 ZINC000281789524 1196334222 /nfs/dbraw/zinc/33/42/22/1196334222.db2.gz OFVKBAZZZZDMDZ-QWRGUYRKSA-N -1 3 382.450 0.868 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1 ZINC001088137923 1196375988 /nfs/dbraw/zinc/37/59/88/1196375988.db2.gz KHNSQXZQOPZDRJ-AESZEHBQSA-N -1 3 375.473 0.370 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@](C)(O)CN1CCOCC1 ZINC000467492766 1196525357 /nfs/dbraw/zinc/52/53/57/1196525357.db2.gz DIRLBNDBPZJIRK-IBGZPJMESA-N -1 3 376.457 0.408 20 30 GCEDHM Cn1cc(C(N)=O)cc1C([O-])=C(C#N)c1nc(N)nc(Nc2ccccc2)n1 ZINC000447239229 1196701487 /nfs/dbraw/zinc/70/14/87/1196701487.db2.gz ROXPWUXFCNZYSL-GFCCVEGCSA-N -1 3 376.380 0.547 20 30 GCEDHM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447756815 1196747587 /nfs/dbraw/zinc/74/75/87/1196747587.db2.gz HKRWNJKYLUQGLF-SWLSCSKDSA-N -1 3 378.454 0.450 20 30 GCEDHM C[C@H](C[C@@H](O)c1ccco1)NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000760190924 1197206198 /nfs/dbraw/zinc/20/61/98/1197206198.db2.gz GLDCJZVFYHPUQT-DGCLKSJQSA-N -1 3 377.422 0.947 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000273033473 1197563331 /nfs/dbraw/zinc/56/33/31/1197563331.db2.gz YYBRRAUMXSXTSE-UHFFFAOYSA-N -1 3 381.454 0.460 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCn1cncn1 ZINC000727050677 1201332021 /nfs/dbraw/zinc/33/20/21/1201332021.db2.gz WRARDTGELFOWQO-AWEZNQCLSA-N -1 3 391.453 0.975 20 30 GCEDHM COC(=O)C1CCC(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000730189305 1201438208 /nfs/dbraw/zinc/43/82/08/1201438208.db2.gz RTTUJGBXXQTAIN-UHFFFAOYSA-N -1 3 379.438 0.573 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCN(C)S(=O)(=O)N(C)C ZINC000731142262 1201472320 /nfs/dbraw/zinc/47/23/20/1201472320.db2.gz CIMIQYGLKDMQSU-UHFFFAOYSA-N -1 3 384.458 0.490 20 30 GCEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC(=O)NCC#N ZINC000731237351 1201477100 /nfs/dbraw/zinc/47/71/00/1201477100.db2.gz GCKAAGPAWSVBQZ-CYBMUJFWSA-N -1 3 392.437 0.467 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCc2nncn2CC)ccc1F ZINC000731879768 1201506726 /nfs/dbraw/zinc/50/67/26/1201506726.db2.gz UKGYKDRPIWBCSH-UHFFFAOYSA-N -1 3 381.433 0.874 20 30 GCEDHM COC(=O)c1[nH]c(C)cc1NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000731879666 1201506885 /nfs/dbraw/zinc/50/68/85/1201506885.db2.gz UNAIPTBXQYLIKT-UHFFFAOYSA-N -1 3 376.394 0.787 20 30 GCEDHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000732154775 1201523059 /nfs/dbraw/zinc/52/30/59/1201523059.db2.gz USUPDKYKBBGSNE-XDJHFCHBSA-N -1 3 396.407 0.808 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000732150833 1201525322 /nfs/dbraw/zinc/52/53/22/1201525322.db2.gz FPWYQFSQLPAVFW-CYBMUJFWSA-N -1 3 390.465 0.339 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N(CCO)CCc1ccccc1 ZINC000733002566 1201571437 /nfs/dbraw/zinc/57/14/37/1201571437.db2.gz OHCMFMODVOQJNI-UHFFFAOYSA-N -1 3 387.461 0.789 20 30 GCEDHM CCO[C@H](C)c1noc(COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000736742973 1201717082 /nfs/dbraw/zinc/71/70/82/1201717082.db2.gz JJKCLFLAPTVXNE-SNVBAGLBSA-N -1 3 394.409 0.949 20 30 GCEDHM C[C@H](CC(=O)N1CCC(C(N)=O)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742470594 1201798100 /nfs/dbraw/zinc/79/81/00/1201798100.db2.gz WANYXGRTXNRXRB-LLVKDONJSA-N -1 3 378.454 0.228 20 30 GCEDHM C[C@@H](CC(=O)N(C)CC(=O)NC1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742495314 1201798696 /nfs/dbraw/zinc/79/86/96/1201798696.db2.gz MIUMQJZNVPZOII-NSHDSACASA-N -1 3 378.454 0.241 20 30 GCEDHM COC(=O)[C@H](NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C(C)C ZINC000742520091 1201799116 /nfs/dbraw/zinc/79/91/16/1201799116.db2.gz TVUGJJVABNIASC-XHDPSFHLSA-N -1 3 381.454 0.818 20 30 GCEDHM CC(C)NC(=O)CN(C)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742487994 1201799172 /nfs/dbraw/zinc/79/91/72/1201799172.db2.gz CTEKHNHWYOGUKJ-LBPRGKRZSA-N -1 3 380.470 0.487 20 30 GCEDHM C[C@H](CC(=O)NCCCn1cncn1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742547543 1201800318 /nfs/dbraw/zinc/80/03/18/1201800318.db2.gz QTNJPWUDUCVQOX-GFCCVEGCSA-N -1 3 376.442 0.302 20 30 GCEDHM CCCN(CC(=O)OC)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742571108 1201800815 /nfs/dbraw/zinc/80/08/15/1201800815.db2.gz WGLHUBPFACCGSZ-LBPRGKRZSA-N -1 3 381.454 0.915 20 30 GCEDHM CCCN(CC(=O)NC)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742570393 1201800955 /nfs/dbraw/zinc/80/09/55/1201800955.db2.gz YECLOMILTOFJOX-LBPRGKRZSA-N -1 3 380.470 0.488 20 30 GCEDHM C[C@@H](CC(=O)NCCc1cnn(C)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742550140 1201800964 /nfs/dbraw/zinc/80/09/64/1201800964.db2.gz FVSCJOYGZXVQHN-LBPRGKRZSA-N -1 3 375.454 0.596 20 30 GCEDHM CCN(CC)C(=O)CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742585081 1201801391 /nfs/dbraw/zinc/80/13/91/1201801391.db2.gz FVZKCFFSULUATJ-LBPRGKRZSA-N -1 3 380.470 0.488 20 30 GCEDHM C[C@@H](CC(=O)NCCCC(=O)N(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742578989 1201801408 /nfs/dbraw/zinc/80/14/08/1201801408.db2.gz WQVWYDQSWQWFKX-LBPRGKRZSA-N -1 3 380.470 0.488 20 30 GCEDHM COCCn1ccc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000742613770 1201802736 /nfs/dbraw/zinc/80/27/36/1201802736.db2.gz WYOMYNQQLQLCCY-LBPRGKRZSA-N -1 3 391.453 0.985 20 30 GCEDHM C[C@@H](CC(=O)NCC(=O)N1CCCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742629994 1201803512 /nfs/dbraw/zinc/80/35/12/1201803512.db2.gz QJIAPLGKDJUGLY-ZDUSSCGKSA-N -1 3 392.481 0.632 20 30 GCEDHM Cc1nnc(CNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1C ZINC000742640994 1201803980 /nfs/dbraw/zinc/80/39/80/1201803980.db2.gz XKHRNIONFWDVIF-JTQLQIEISA-N -1 3 376.442 0.257 20 30 GCEDHM C[C@H](CC(=O)Nc1nc(C(N)=O)cs1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742687028 1201805969 /nfs/dbraw/zinc/80/59/69/1201805969.db2.gz CMMNWUVTFHKNIC-MRVPVSSYSA-N -1 3 393.450 0.698 20 30 GCEDHM CC(=O)N1CCN(C(=O)COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000742733861 1201807027 /nfs/dbraw/zinc/80/70/27/1201807027.db2.gz GTGXKLMNONPHCU-UHFFFAOYSA-N -1 3 388.424 0.442 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCCNC(N)=O ZINC000744147870 1201837052 /nfs/dbraw/zinc/83/70/52/1201837052.db2.gz URWXXIIEPQOCSU-ZDUSSCGKSA-N -1 3 396.469 0.741 20 30 GCEDHM C[C@H](CC(=O)O[C@@H](C)C(=O)NC1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745498247 1201879434 /nfs/dbraw/zinc/87/94/34/1201879434.db2.gz ZTBWUPQDGVLYKU-MNOVXSKESA-N -1 3 379.438 0.714 20 30 GCEDHM C#CCNC(=O)[C@H](C)OC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745497113 1201879519 /nfs/dbraw/zinc/87/95/19/1201879519.db2.gz RMGUICWXGJHOKM-RYUDHWBXSA-N -1 3 377.422 0.185 20 30 GCEDHM C[C@@H](CC(=O)OCCN1C(=O)CCC1=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496759 1201879599 /nfs/dbraw/zinc/87/95/99/1201879599.db2.gz PCJWRHFMHFAIRM-NSHDSACASA-N -1 3 393.421 0.196 20 30 GCEDHM C[C@H](CC(=O)OCC(=O)c1cnn(C)c1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000745498541 1201880189 /nfs/dbraw/zinc/88/01/89/1201880189.db2.gz XSUVGZWADAZITK-LLVKDONJSA-N -1 3 390.421 0.663 20 30 GCEDHM CC(C)NC(=O)[C@H](C)OC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745497954 1201880308 /nfs/dbraw/zinc/88/03/08/1201880308.db2.gz YTXOAKOFNDOQJE-NEPJUHHUSA-N -1 3 381.454 0.960 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCc1nc(-c2ccccn2)no1 ZINC000746059713 1201898614 /nfs/dbraw/zinc/89/86/14/1201898614.db2.gz ROQOXJAJXGFPGH-UHFFFAOYSA-N -1 3 399.388 0.914 20 30 GCEDHM CNC(=O)CC1CCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000746359050 1201913361 /nfs/dbraw/zinc/91/33/61/1201913361.db2.gz JJNJLRIJFGEFFF-UHFFFAOYSA-N -1 3 378.454 0.100 20 30 GCEDHM CS(=O)(=O)C1CCC(N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])CC1 ZINC001169871441 1201958972 /nfs/dbraw/zinc/95/89/72/1201958972.db2.gz WLUUIJIAQLWOCB-HTAVTVPLSA-N -1 3 390.464 0.358 20 30 GCEDHM CCOCCS(=O)(=O)[N-]CC(=O)OCc1nnc(-c2cccc(C#N)c2)o1 ZINC000767381178 1201970830 /nfs/dbraw/zinc/97/08/30/1201970830.db2.gz XMHBGODWOXTHOC-UHFFFAOYSA-N -1 3 394.409 0.607 20 30 GCEDHM COC(=O)CSCCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742640030 1201997359 /nfs/dbraw/zinc/99/73/59/1201997359.db2.gz JYQCNWZCGHBERX-NSHDSACASA-N -1 3 399.494 0.526 20 30 GCEDHM CC(C)C(=O)NCCN(C)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000768024344 1201997943 /nfs/dbraw/zinc/99/79/43/1201997943.db2.gz GKGTUMXBDJSADF-CYBMUJFWSA-N -1 3 394.497 0.734 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@H]1CCNC1=O ZINC000769952907 1202078329 /nfs/dbraw/zinc/07/83/29/1202078329.db2.gz XOQYNXNWGGHLBE-STQMWFEESA-N -1 3 379.438 0.572 20 30 GCEDHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000787591747 1205393169 /nfs/dbraw/zinc/39/31/69/1205393169.db2.gz XGEXXGANNNREQM-NSHDSACASA-N -1 3 384.414 0.064 20 30 GCEDHM C[C@H](OC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC1(C#N)CCC1 ZINC000787580202 1205394164 /nfs/dbraw/zinc/39/41/64/1205394164.db2.gz SCZJIBPCGOAIFP-NSHDSACASA-N -1 3 390.421 0.219 20 30 GCEDHM COC(COCCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)OC ZINC000789910529 1205452209 /nfs/dbraw/zinc/45/22/09/1205452209.db2.gz KWDFEHSSZPIISL-GFCCVEGCSA-N -1 3 399.469 0.255 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCC1 ZINC000746898733 1205462548 /nfs/dbraw/zinc/46/25/48/1205462548.db2.gz QFKQDCYAESSJJS-AWEZNQCLSA-N -1 3 393.465 0.915 20 30 GCEDHM CCOC(=O)CCC(=O)COC(=O)CN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000791274560 1205475686 /nfs/dbraw/zinc/47/56/86/1205475686.db2.gz IAUGPVFLVIWGGF-UHFFFAOYSA-N -1 3 382.394 0.181 20 30 GCEDHM COc1ncccc1C(=O)COC(=O)CN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000791510515 1205478172 /nfs/dbraw/zinc/47/81/72/1205478172.db2.gz FXWJJOAURURBHZ-UHFFFAOYSA-N -1 3 389.389 0.555 20 30 GCEDHM CN1C(=O)CN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)[C@@H]1c1ccccc1 ZINC000793927233 1205509658 /nfs/dbraw/zinc/50/96/58/1205509658.db2.gz HIRSKDUJYKPEAF-LJQANCHMSA-N -1 3 398.444 0.725 20 30 GCEDHM N#Cc1ncn(CCNC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)n1 ZINC000804620172 1205518900 /nfs/dbraw/zinc/51/89/00/1205518900.db2.gz JQMYNTZPMTXBFN-UHFFFAOYSA-N -1 3 396.379 0.299 20 30 GCEDHM Cc1nnc([C@H](C)NC(=O)C[C@@H](C)N=C2[N-]S(=O)(=O)c3ccccc32)[nH]1 ZINC000804811943 1205526090 /nfs/dbraw/zinc/52/60/90/1205526090.db2.gz GOEWXPXESMCDQN-ZJUUUORDSA-N -1 3 376.442 0.808 20 30 GCEDHM CC(=O)NCC[C@@H]1CCCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000805279781 1205534477 /nfs/dbraw/zinc/53/44/77/1205534477.db2.gz ZFZDFQYXLVDPBS-AWEZNQCLSA-N -1 3 392.481 0.490 20 30 GCEDHM CC(=O)C(=O)COC(=O)[C@H](CC(C)C)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000808485625 1205607551 /nfs/dbraw/zinc/60/75/51/1205607551.db2.gz WDSMWKAQRIKJPC-ZDUSSCGKSA-N -1 3 380.422 0.841 20 30 GCEDHM COc1ccc(CNC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)cc1C#N ZINC000810669298 1205641069 /nfs/dbraw/zinc/64/10/69/1205641069.db2.gz BNYKHHRWFOTDJU-UHFFFAOYSA-N -1 3 378.410 0.766 20 30 GCEDHM CO[C@H](C)c1noc(COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000747676793 1205647493 /nfs/dbraw/zinc/64/74/93/1205647493.db2.gz LEXUAHSLTXDFDX-SECBINFHSA-N -1 3 380.382 0.559 20 30 GCEDHM C[C@@H](CC(=O)OCCN1CCOCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000747710125 1205651902 /nfs/dbraw/zinc/65/19/02/1205651902.db2.gz LNNVOSLRZBDPMJ-ZDUSSCGKSA-N -1 3 381.454 0.379 20 30 GCEDHM CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000813316982 1205674806 /nfs/dbraw/zinc/67/48/06/1205674806.db2.gz NCYMPRWIBAGRAI-HNNXBMFYSA-N -1 3 398.444 0.429 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@H](CS(C)(=O)=O)C1 ZINC001134294872 1205690265 /nfs/dbraw/zinc/69/02/65/1205690265.db2.gz KCIAAVOJGQENIW-ZDUSSCGKSA-N -1 3 381.454 0.480 20 30 GCEDHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C1N=CC=CC1=O ZINC000814382247 1205690872 /nfs/dbraw/zinc/69/08/72/1205690872.db2.gz LDQDOEXWMQWSKP-WYMLVPIESA-N -1 3 397.800 0.681 20 30 GCEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC[S@](=O)C1 ZINC000747992838 1205698382 /nfs/dbraw/zinc/69/83/82/1205698382.db2.gz YPMUNZSAINSNHL-CIRKLDFFSA-N -1 3 397.522 0.921 20 30 GCEDHM CN1C(=O)Cc2cc(CNC(=O)C/N=C3/[N-]S(=O)(=O)c4ccccc43)ccc21 ZINC001135090298 1205706596 /nfs/dbraw/zinc/70/65/96/1205706596.db2.gz ILEZTESFANFHSN-UHFFFAOYSA-N -1 3 398.444 0.560 20 30 GCEDHM [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)[C@@H]1CCCN1CC1CC1 ZINC001182560166 1205876795 /nfs/dbraw/zinc/87/67/95/1205876795.db2.gz CYZIJMMTOGNJIB-QWHCGFSZSA-N -1 3 381.435 0.403 20 30 GCEDHM Cn1cnc2c1c(=O)n(CC(=O)N([O-])CCCCc1ccccc1)c(=O)n2C ZINC001184293144 1205907898 /nfs/dbraw/zinc/90/78/98/1205907898.db2.gz GWJODSUIZHKAAI-UHFFFAOYSA-N -1 3 385.424 0.674 20 30 GCEDHM CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1=O ZINC000736395193 944812789 /nfs/dbraw/zinc/81/27/89/944812789.db2.gz HKSBQLMRICMBKN-UHFFFAOYSA-N -1 3 382.384 0.787 20 30 GCEDHM CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1=O ZINC000736395193 944812793 /nfs/dbraw/zinc/81/27/93/944812793.db2.gz HKSBQLMRICMBKN-UHFFFAOYSA-N -1 3 382.384 0.787 20 30 GCEDHM C=C(Cl)CN1CC(n2cc(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)nn2)C1 ZINC001571290500 946044364 /nfs/dbraw/zinc/04/43/64/946044364.db2.gz HFRLGGBSVPQAHA-UHFFFAOYSA-N -1 3 388.823 0.326 20 30 GCEDHM C=C(Cl)CN1CC(n2cc(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)nn2)C1 ZINC001571290500 946044379 /nfs/dbraw/zinc/04/43/79/946044379.db2.gz HFRLGGBSVPQAHA-UHFFFAOYSA-N -1 3 388.823 0.326 20 30 GCEDHM N#CCCN(CCC(=O)Nc1ccccc1-c1nnn[n-]1)CCN1CCOCC1 ZINC000822810046 946194851 /nfs/dbraw/zinc/19/48/51/946194851.db2.gz AMNQYMYNPMVCNB-UHFFFAOYSA-N -1 3 398.471 0.743 20 30 GCEDHM N#CCCN(CCC(=O)Nc1ccccc1-c1nn[n-]n1)CCN1CCOCC1 ZINC000822810046 946194864 /nfs/dbraw/zinc/19/48/64/946194864.db2.gz AMNQYMYNPMVCNB-UHFFFAOYSA-N -1 3 398.471 0.743 20 30 GCEDHM N#Cc1cccc(CN2CCOC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001571309747 946452564 /nfs/dbraw/zinc/45/25/64/946452564.db2.gz JJBWWBYQFSHHEB-OAHLLOKOSA-N -1 3 392.423 0.697 20 30 GCEDHM N#Cc1cccc(CN2CCOC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001571309747 946452570 /nfs/dbraw/zinc/45/25/70/946452570.db2.gz JJBWWBYQFSHHEB-OAHLLOKOSA-N -1 3 392.423 0.697 20 30 GCEDHM Cc1cc(C#N)nc(N2CCC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)n1 ZINC001571312428 946491893 /nfs/dbraw/zinc/49/18/93/946491893.db2.gz CQCDISDYQOFFLJ-UHFFFAOYSA-N -1 3 392.427 0.811 20 30 GCEDHM Cc1cc(C#N)nc(N2CCC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)n1 ZINC001571312428 946491901 /nfs/dbraw/zinc/49/19/01/946491901.db2.gz CQCDISDYQOFFLJ-UHFFFAOYSA-N -1 3 392.427 0.811 20 30 GCEDHM Cc1cc(C#N)nc(N2CCC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C)n1 ZINC001571312579 946495725 /nfs/dbraw/zinc/49/57/25/946495725.db2.gz HYKUNGASSXALGG-FZMZJTMJSA-N -1 3 392.427 0.952 20 30 GCEDHM Cc1cc(C#N)nc(N2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C)n1 ZINC001571312579 946495732 /nfs/dbraw/zinc/49/57/32/946495732.db2.gz HYKUNGASSXALGG-FZMZJTMJSA-N -1 3 392.427 0.952 20 30 GCEDHM N#Cc1nccc(N[C@H]2CCCCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571312774 946499844 /nfs/dbraw/zinc/49/98/44/946499844.db2.gz KCQOLYZBECYQNM-ZDUSSCGKSA-N -1 3 392.427 0.775 20 30 GCEDHM N#Cc1nccc(N[C@H]2CCCCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571312774 946499851 /nfs/dbraw/zinc/49/98/51/946499851.db2.gz KCQOLYZBECYQNM-ZDUSSCGKSA-N -1 3 392.427 0.775 20 30 GCEDHM N#Cc1nccc(N[C@@H]2CCCCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571312771 946499924 /nfs/dbraw/zinc/49/99/24/946499924.db2.gz KCQOLYZBECYQNM-CYBMUJFWSA-N -1 3 392.427 0.775 20 30 GCEDHM N#Cc1nccc(N[C@@H]2CCCCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571312771 946499928 /nfs/dbraw/zinc/49/99/28/946499928.db2.gz KCQOLYZBECYQNM-CYBMUJFWSA-N -1 3 392.427 0.775 20 30 GCEDHM CC[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1c1nc(C)cc(C#N)n1 ZINC001571313131 946512283 /nfs/dbraw/zinc/51/22/83/946512283.db2.gz ONVAPHJCMKOIRV-DZGCQCFKSA-N -1 3 392.427 0.952 20 30 GCEDHM CC[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1c1nc(C)cc(C#N)n1 ZINC001571313131 946512290 /nfs/dbraw/zinc/51/22/90/946512290.db2.gz ONVAPHJCMKOIRV-DZGCQCFKSA-N -1 3 392.427 0.952 20 30 GCEDHM CCc1nc(C#N)cc(N2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571313441 946523835 /nfs/dbraw/zinc/52/38/35/946523835.db2.gz RCDUSXMSHYFEPJ-GFCCVEGCSA-N -1 3 392.427 0.818 20 30 GCEDHM CCc1nc(C#N)cc(N2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571313441 946523845 /nfs/dbraw/zinc/52/38/45/946523845.db2.gz RCDUSXMSHYFEPJ-GFCCVEGCSA-N -1 3 392.427 0.818 20 30 GCEDHM Cn1nnnc1C1CCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571313962 946537862 /nfs/dbraw/zinc/53/78/62/946537862.db2.gz YJBQEUAFOSHNFG-HNNXBMFYSA-N -1 3 392.427 0.479 20 30 GCEDHM C#CCN(C(=O)[C@@H](C)C#N)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573282097 946684362 /nfs/dbraw/zinc/68/43/62/946684362.db2.gz FQRWMPNHYNXEBF-LBPRGKRZSA-N -1 3 380.412 0.421 20 30 GCEDHM C#CCN(CC)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1Cc1nnn(C)n1 ZINC001573282341 946690568 /nfs/dbraw/zinc/69/05/68/946690568.db2.gz ILGKLMMZBWATLT-UHFFFAOYSA-N -1 3 390.415 0.157 20 30 GCEDHM C#CCN(CC)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1Cc1nnn(C)n1 ZINC001573282341 946690578 /nfs/dbraw/zinc/69/05/78/946690578.db2.gz ILGKLMMZBWATLT-UHFFFAOYSA-N -1 3 390.415 0.157 20 30 GCEDHM C#CCN(C(=O)c1ccncn1)C1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573282996 946704757 /nfs/dbraw/zinc/70/47/57/946704757.db2.gz OPQLIFGLLQEJNH-UHFFFAOYSA-N -1 3 389.423 0.796 20 30 GCEDHM C#CCN(C(=O)c1ccncn1)C1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573282996 946704761 /nfs/dbraw/zinc/70/47/61/946704761.db2.gz OPQLIFGLLQEJNH-UHFFFAOYSA-N -1 3 389.423 0.796 20 30 GCEDHM C#CCN(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1CCCn1cnnn1 ZINC001573283220 946709618 /nfs/dbraw/zinc/70/96/18/946709618.db2.gz QDBCQUFKYYFCEM-UHFFFAOYSA-N -1 3 390.415 0.271 20 30 GCEDHM C#CCN(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1CCCn1cnnn1 ZINC001573283220 946709628 /nfs/dbraw/zinc/70/96/28/946709628.db2.gz QDBCQUFKYYFCEM-UHFFFAOYSA-N -1 3 390.415 0.271 20 30 GCEDHM C#CCCCC(=O)NCCN1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573284315 946742442 /nfs/dbraw/zinc/74/24/42/946742442.db2.gz YTKWPZTVCNXVAX-UHFFFAOYSA-N -1 3 386.435 0.443 20 30 GCEDHM C#CCCCC(=O)NCCN1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573284315 946742448 /nfs/dbraw/zinc/74/24/48/946742448.db2.gz YTKWPZTVCNXVAX-UHFFFAOYSA-N -1 3 386.435 0.443 20 30 GCEDHM C#CCCCC(=O)N(C)C[C@@H](O)CN(C)c1snc(C)c1-c1nnn[n-]1 ZINC001573284577 946749518 /nfs/dbraw/zinc/74/95/18/946749518.db2.gz GNAUDSLDCMTVIW-GFCCVEGCSA-N -1 3 377.474 0.691 20 30 GCEDHM C#CCCCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573284524 946749928 /nfs/dbraw/zinc/74/99/28/946749928.db2.gz FPTWJHXUEATDHF-DOMZBBRYSA-N -1 3 385.428 0.344 20 30 GCEDHM C#CCCCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573284524 946749937 /nfs/dbraw/zinc/74/99/37/946749937.db2.gz FPTWJHXUEATDHF-DOMZBBRYSA-N -1 3 385.428 0.344 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573285199 946770010 /nfs/dbraw/zinc/77/00/10/946770010.db2.gz DYKLPYSSDGMDJR-GJZGRUSLSA-N -1 3 383.456 0.975 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573285199 946770020 /nfs/dbraw/zinc/77/00/20/946770020.db2.gz DYKLPYSSDGMDJR-GJZGRUSLSA-N -1 3 383.456 0.975 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573285551 946782700 /nfs/dbraw/zinc/78/27/00/946782700.db2.gz IRZOWONRPMJPQG-KUHUBIRLSA-N -1 3 381.440 0.729 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573285551 946782711 /nfs/dbraw/zinc/78/27/11/946782711.db2.gz IRZOWONRPMJPQG-KUHUBIRLSA-N -1 3 381.440 0.729 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1CCC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573285796 946787588 /nfs/dbraw/zinc/78/75/88/946787588.db2.gz NWWNBAXAQHMSQG-GFCCVEGCSA-N -1 3 385.428 0.296 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1CCC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573285796 946787596 /nfs/dbraw/zinc/78/75/96/946787596.db2.gz NWWNBAXAQHMSQG-GFCCVEGCSA-N -1 3 385.428 0.296 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](C)C1 ZINC001573286380 946805269 /nfs/dbraw/zinc/80/52/69/946805269.db2.gz ABNIENCDYLMNOK-TZMCWYRMSA-N -1 3 385.428 0.202 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](C)C1 ZINC001573286380 946805282 /nfs/dbraw/zinc/80/52/82/946805282.db2.gz ABNIENCDYLMNOK-TZMCWYRMSA-N -1 3 385.428 0.202 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@@]2(CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573286508 946810279 /nfs/dbraw/zinc/81/02/79/946810279.db2.gz CTWQGGNJLZENMY-LJQANCHMSA-N -1 3 381.440 0.730 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@@]2(CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573286508 946810290 /nfs/dbraw/zinc/81/02/90/946810290.db2.gz CTWQGGNJLZENMY-LJQANCHMSA-N -1 3 381.440 0.730 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C)nc1 ZINC001573287088 946826619 /nfs/dbraw/zinc/82/66/19/946826619.db2.gz DTOQVRFSGRLFQI-ZBEGNZNMSA-N -1 3 390.407 0.462 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C)nc1 ZINC001573287088 946826632 /nfs/dbraw/zinc/82/66/32/946826632.db2.gz DTOQVRFSGRLFQI-ZBEGNZNMSA-N -1 3 390.407 0.462 20 30 GCEDHM C#CCO[C@H](C)C(=O)NC[C@@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573287198 946829812 /nfs/dbraw/zinc/82/98/12/946829812.db2.gz MHQNCTBUMZSJIX-KZULUSFZSA-N -1 3 385.428 0.202 20 30 GCEDHM C#CCO[C@H](C)C(=O)NC[C@@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573287198 946829831 /nfs/dbraw/zinc/82/98/31/946829831.db2.gz MHQNCTBUMZSJIX-KZULUSFZSA-N -1 3 385.428 0.202 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001573287206 946830542 /nfs/dbraw/zinc/83/05/42/946830542.db2.gz GSQUOPIJYYLAMN-OAHLLOKOSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001573287206 946830557 /nfs/dbraw/zinc/83/05/57/946830557.db2.gz GSQUOPIJYYLAMN-OAHLLOKOSA-N -1 3 390.407 0.606 20 30 GCEDHM C#CCOCCC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001573287242 946831410 /nfs/dbraw/zinc/83/14/10/946831410.db2.gz MNJLQPPILQOEQB-CQSZACIVSA-N -1 3 385.428 0.202 20 30 GCEDHM C#CCOCCC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573287242 946831421 /nfs/dbraw/zinc/83/14/21/946831421.db2.gz MNJLQPPILQOEQB-CQSZACIVSA-N -1 3 385.428 0.202 20 30 GCEDHM C#CCOCCC(=O)N1CCCC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573287277 946832153 /nfs/dbraw/zinc/83/21/53/946832153.db2.gz MRTGIRVQCVCGEI-AWEZNQCLSA-N -1 3 385.428 0.346 20 30 GCEDHM C#CCOCCC(=O)N1CCCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573287277 946832164 /nfs/dbraw/zinc/83/21/64/946832164.db2.gz MRTGIRVQCVCGEI-AWEZNQCLSA-N -1 3 385.428 0.346 20 30 GCEDHM C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nc1 ZINC001573287529 946839750 /nfs/dbraw/zinc/83/97/50/946839750.db2.gz JJGOJYLDUHFQMB-CQSZACIVSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nc1 ZINC001573287529 946839758 /nfs/dbraw/zinc/83/97/58/946839758.db2.gz JJGOJYLDUHFQMB-CQSZACIVSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nc1 ZINC001573287528 946841588 /nfs/dbraw/zinc/84/15/88/946841588.db2.gz JJGOJYLDUHFQMB-AWEZNQCLSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nc1 ZINC001573287528 946841596 /nfs/dbraw/zinc/84/15/96/946841596.db2.gz JJGOJYLDUHFQMB-AWEZNQCLSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc1 ZINC001573287759 946845571 /nfs/dbraw/zinc/84/55/71/946845571.db2.gz KUQDQJVCMTXLLE-WDEREUQCSA-N -1 3 378.396 0.508 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc1 ZINC001573287759 946845584 /nfs/dbraw/zinc/84/55/84/946845584.db2.gz KUQDQJVCMTXLLE-WDEREUQCSA-N -1 3 378.396 0.508 20 30 GCEDHM C#CCOCCC(=O)N[C@@H]1CC[C@H](C)N(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573288035 946855908 /nfs/dbraw/zinc/85/59/08/946855908.db2.gz RQSRXIXMZUXZEA-GXTWGEPZSA-N -1 3 387.419 0.914 20 30 GCEDHM C#CCOCCC(=O)N[C@@H]1CC[C@H](C)N(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573288035 946855918 /nfs/dbraw/zinc/85/59/18/946855918.db2.gz RQSRXIXMZUXZEA-GXTWGEPZSA-N -1 3 387.419 0.914 20 30 GCEDHM C#Cc1ccc(C(=O)NCC2(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)cc1 ZINC001573288145 946859672 /nfs/dbraw/zinc/85/96/72/946859672.db2.gz OVZDPRUSYINPCO-UHFFFAOYSA-N -1 3 375.392 0.869 20 30 GCEDHM C#Cc1ccc(C(=O)NCC2(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)cc1 ZINC001573288145 946859679 /nfs/dbraw/zinc/85/96/79/946859679.db2.gz OVZDPRUSYINPCO-UHFFFAOYSA-N -1 3 375.392 0.869 20 30 GCEDHM C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1snc(C)c1-c1nnn[n-]1 ZINC001573288350 946864135 /nfs/dbraw/zinc/86/41/35/946864135.db2.gz JZNUSBGSQWUWRN-UPJWGTAASA-N -1 3 387.469 0.897 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](C)C1 ZINC001573288279 946864895 /nfs/dbraw/zinc/86/48/95/946864895.db2.gz UCMVBEBVDFFZLC-QWHCGFSZSA-N -1 3 385.428 0.202 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](C)C1 ZINC001573288279 946864908 /nfs/dbraw/zinc/86/49/08/946864908.db2.gz UCMVBEBVDFFZLC-QWHCGFSZSA-N -1 3 385.428 0.202 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@]2(O)CCN(c3ncccc3-c3nnn[n-]3)C2)cc1 ZINC001573288526 946869181 /nfs/dbraw/zinc/86/91/81/946869181.db2.gz RJQHIRAAWZZYMG-HXUWFJFHSA-N -1 3 389.419 0.614 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@]2(O)CCN(c3ncccc3-c3nn[n-]n3)C2)cc1 ZINC001573288526 946869203 /nfs/dbraw/zinc/86/92/03/946869203.db2.gz RJQHIRAAWZZYMG-HXUWFJFHSA-N -1 3 389.419 0.614 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@@]2(O)CCN(c3ncccc3-c3nnn[n-]3)C2)cc1 ZINC001573288522 946869692 /nfs/dbraw/zinc/86/96/92/946869692.db2.gz RJQHIRAAWZZYMG-FQEVSTJZSA-N -1 3 389.419 0.614 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@@]2(O)CCN(c3ncccc3-c3nn[n-]n3)C2)cc1 ZINC001573288522 946869704 /nfs/dbraw/zinc/86/97/04/946869704.db2.gz RJQHIRAAWZZYMG-FQEVSTJZSA-N -1 3 389.419 0.614 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)C[C@H](O)CN(C)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001573288537 946871417 /nfs/dbraw/zinc/87/14/17/946871417.db2.gz MKOVAIUFSXJPMJ-MRXNPFEDSA-N -1 3 392.423 0.207 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)C[C@H](O)CN(C)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001573288537 946871428 /nfs/dbraw/zinc/87/14/28/946871428.db2.gz MKOVAIUFSXJPMJ-MRXNPFEDSA-N -1 3 392.423 0.207 20 30 GCEDHM C#Cc1ccc(C(=O)NCCCN(CC)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001573289438 946885296 /nfs/dbraw/zinc/88/52/96/946885296.db2.gz YYWFIVNKHJEYGJ-UHFFFAOYSA-N -1 3 392.423 0.853 20 30 GCEDHM C#Cc1ccc(C(=O)NCCCN(CC)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001573289438 946885308 /nfs/dbraw/zinc/88/53/08/946885308.db2.gz YYWFIVNKHJEYGJ-UHFFFAOYSA-N -1 3 392.423 0.853 20 30 GCEDHM C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001573289723 946891209 /nfs/dbraw/zinc/89/12/09/946891209.db2.gz PMMUFGABJGJDRA-GXTWGEPZSA-N -1 3 385.428 0.059 20 30 GCEDHM C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001573289723 946891221 /nfs/dbraw/zinc/89/12/21/946891221.db2.gz PMMUFGABJGJDRA-GXTWGEPZSA-N -1 3 385.428 0.059 20 30 GCEDHM C#CCOc1ccc(C(=O)NCCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC001573289962 946894474 /nfs/dbraw/zinc/89/44/74/946894474.db2.gz SAVIXGIGWIMBCV-UHFFFAOYSA-N -1 3 379.380 0.367 20 30 GCEDHM C#CCOc1ccc(C(=O)NCCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC001573289962 946894486 /nfs/dbraw/zinc/89/44/86/946894486.db2.gz SAVIXGIGWIMBCV-UHFFFAOYSA-N -1 3 379.380 0.367 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)C[C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001573289917 946895844 /nfs/dbraw/zinc/89/58/44/946895844.db2.gz RFCBJMWNFNZHNM-NSHDSACASA-N -1 3 378.396 0.462 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)C[C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001573289917 946895851 /nfs/dbraw/zinc/89/58/51/946895851.db2.gz RFCBJMWNFNZHNM-NSHDSACASA-N -1 3 378.396 0.462 20 30 GCEDHM C#Cc1ccccc1CC(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573290237 946901450 /nfs/dbraw/zinc/90/14/50/946901450.db2.gz HRDFLGXVGUZGJF-UHFFFAOYSA-N -1 3 389.419 0.703 20 30 GCEDHM C#Cc1ccccc1CC(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573290237 946901457 /nfs/dbraw/zinc/90/14/57/946901457.db2.gz HRDFLGXVGUZGJF-UHFFFAOYSA-N -1 3 389.419 0.703 20 30 GCEDHM C#Cc1cncc(C(=O)N(C)C2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1 ZINC001573290600 946908509 /nfs/dbraw/zinc/90/85/09/946908509.db2.gz MKCXFYCQNMJEKQ-UHFFFAOYSA-N -1 3 376.380 0.168 20 30 GCEDHM C#Cc1cncc(C(=O)N(C)C2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1 ZINC001573290600 946908517 /nfs/dbraw/zinc/90/85/17/946908517.db2.gz MKCXFYCQNMJEKQ-UHFFFAOYSA-N -1 3 376.380 0.168 20 30 GCEDHM C#Cc1cncc(C(=O)N(C)C[C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001573290767 946910979 /nfs/dbraw/zinc/91/09/79/946910979.db2.gz OYQLNYBSBLCVPX-NSHDSACASA-N -1 3 378.396 0.462 20 30 GCEDHM C#Cc1cncc(C(=O)N(C)C[C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001573290767 946910982 /nfs/dbraw/zinc/91/09/82/946910982.db2.gz OYQLNYBSBLCVPX-NSHDSACASA-N -1 3 378.396 0.462 20 30 GCEDHM C#Cc1cncc(C(=O)N2CC(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001573290889 946912082 /nfs/dbraw/zinc/91/20/82/946912082.db2.gz SEFGOVOTNPLJIK-UHFFFAOYSA-N -1 3 376.380 0.073 20 30 GCEDHM C#Cc1cncc(C(=O)N2CC(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001573290889 946912093 /nfs/dbraw/zinc/91/20/93/946912093.db2.gz SEFGOVOTNPLJIK-UHFFFAOYSA-N -1 3 376.380 0.073 20 30 GCEDHM C=C(Br)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573291816 946923544 /nfs/dbraw/zinc/92/35/44/946923544.db2.gz JRJMUYACXGZOJF-IAZYJMLFSA-N -1 3 378.234 0.763 20 30 GCEDHM C=C(Br)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573291816 946923538 /nfs/dbraw/zinc/92/35/38/946923538.db2.gz JRJMUYACXGZOJF-IAZYJMLFSA-N -1 3 378.234 0.763 20 30 GCEDHM C#Cc1cncc(C(=O)N[C@@H](C)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001573292643 946935451 /nfs/dbraw/zinc/93/54/51/946935451.db2.gz ZDOLURNRWOTUBD-NSHDSACASA-N -1 3 378.396 0.510 20 30 GCEDHM C#Cc1cncc(C(=O)N[C@@H](C)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001573292643 946935454 /nfs/dbraw/zinc/93/54/54/946935454.db2.gz ZDOLURNRWOTUBD-NSHDSACASA-N -1 3 378.396 0.510 20 30 GCEDHM C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573293205 946951904 /nfs/dbraw/zinc/95/19/04/946951904.db2.gz OSRPXTOMDLVBTR-UHFFFAOYSA-N -1 3 375.433 0.348 20 30 GCEDHM C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573293205 946951913 /nfs/dbraw/zinc/95/19/13/946951913.db2.gz OSRPXTOMDLVBTR-UHFFFAOYSA-N -1 3 375.433 0.348 20 30 GCEDHM C=C(C)[C@@H](CC(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)OCC ZINC001573293409 946956642 /nfs/dbraw/zinc/95/66/42/946956642.db2.gz VNFLONSZSIYFLR-SMDDNHRTSA-N -1 3 375.433 0.801 20 30 GCEDHM C=C(C)[C@@H](CC(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)OCC ZINC001573293409 946956647 /nfs/dbraw/zinc/95/66/47/946956647.db2.gz VNFLONSZSIYFLR-SMDDNHRTSA-N -1 3 375.433 0.801 20 30 GCEDHM C=C(Cl)CN(CCO)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573294598 946991854 /nfs/dbraw/zinc/99/18/54/946991854.db2.gz DLLBTORWIJKWQB-CYBMUJFWSA-N -1 3 379.852 0.846 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@@H](N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001573564760 946997776 /nfs/dbraw/zinc/99/77/76/946997776.db2.gz KHNPHVDJZQXDQD-UKRRQHHQSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@@H](N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001573564760 946997780 /nfs/dbraw/zinc/99/77/80/946997780.db2.gz KHNPHVDJZQXDQD-UKRRQHHQSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@H](N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC001573565233 947004251 /nfs/dbraw/zinc/00/42/51/947004251.db2.gz PEZXHJOYRHTQMQ-KGLIPLIRSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@H](N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC001573565233 947004264 /nfs/dbraw/zinc/00/42/64/947004264.db2.gz PEZXHJOYRHTQMQ-KGLIPLIRSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@@H](N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC001573565234 947004794 /nfs/dbraw/zinc/00/47/94/947004794.db2.gz PEZXHJOYRHTQMQ-UONOGXRCSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@@H](N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC001573565234 947004808 /nfs/dbraw/zinc/00/48/08/947004808.db2.gz PEZXHJOYRHTQMQ-UONOGXRCSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@@H](N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC001573565235 947004926 /nfs/dbraw/zinc/00/49/26/947004926.db2.gz PEZXHJOYRHTQMQ-ZIAGYGMSSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@@H](N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC001573565235 947004935 /nfs/dbraw/zinc/00/49/35/947004935.db2.gz PEZXHJOYRHTQMQ-ZIAGYGMSSA-N -1 3 381.444 0.144 20 30 GCEDHM C=C1CC(C)(C(=O)NCCN2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001573295259 947012634 /nfs/dbraw/zinc/01/26/34/947012634.db2.gz CEJHHQDBFFZKID-UHFFFAOYSA-N -1 3 382.472 0.856 20 30 GCEDHM C=C1CC(C)(C(=O)NCCN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001573295259 947012642 /nfs/dbraw/zinc/01/26/42/947012642.db2.gz CEJHHQDBFFZKID-UHFFFAOYSA-N -1 3 382.472 0.856 20 30 GCEDHM C=C(Cl)C(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573295854 947028619 /nfs/dbraw/zinc/02/86/19/947028619.db2.gz VBYPVMSYNAPKQG-JTQLQIEISA-N -1 3 381.824 0.180 20 30 GCEDHM C=C(Cl)C(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573295854 947028628 /nfs/dbraw/zinc/02/86/28/947028628.db2.gz VBYPVMSYNAPKQG-JTQLQIEISA-N -1 3 381.824 0.180 20 30 GCEDHM C=C(Cl)CN1CC[C@H](N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001573295914 947030020 /nfs/dbraw/zinc/03/00/20/947030020.db2.gz XEHSYYLRVMVALA-AWEZNQCLSA-N -1 3 390.879 0.779 20 30 GCEDHM C=C(Cl)CN1CC[C@H](N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001573295914 947030027 /nfs/dbraw/zinc/03/00/27/947030027.db2.gz XEHSYYLRVMVALA-AWEZNQCLSA-N -1 3 390.879 0.779 20 30 GCEDHM C=C(Cl)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573296043 947037177 /nfs/dbraw/zinc/03/71/77/947037177.db2.gz XIOCSAWLBYMNST-SNVBAGLBSA-N -1 3 381.824 0.180 20 30 GCEDHM C=C(Cl)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573296043 947037187 /nfs/dbraw/zinc/03/71/87/947037187.db2.gz XIOCSAWLBYMNST-SNVBAGLBSA-N -1 3 381.824 0.180 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC[C@@H](N(CCO)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573567526 947047099 /nfs/dbraw/zinc/04/70/99/947047099.db2.gz NZMZYYBDGTUFKH-WCQYABFASA-N -1 3 388.407 0.350 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC[C@@H](N(CCO)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573567526 947047106 /nfs/dbraw/zinc/04/71/06/947047106.db2.gz NZMZYYBDGTUFKH-WCQYABFASA-N -1 3 388.407 0.350 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC[C@@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001573567928 947060954 /nfs/dbraw/zinc/06/09/54/947060954.db2.gz UYGOCTDWAFZCCS-KPZWWZAWSA-N -1 3 382.428 0.809 20 30 GCEDHM C=C(C)C[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573298274 947074205 /nfs/dbraw/zinc/07/42/05/947074205.db2.gz BUGBQWCLCHVQMU-AAEUAGOBSA-N -1 3 375.433 0.346 20 30 GCEDHM C=C(C)C[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573298274 947074216 /nfs/dbraw/zinc/07/42/16/947074216.db2.gz BUGBQWCLCHVQMU-AAEUAGOBSA-N -1 3 375.433 0.346 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCOC2(CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001573570179 947083561 /nfs/dbraw/zinc/08/35/61/947083561.db2.gz LQPVAMUVXKRWAY-LBPRGKRZSA-N -1 3 385.403 0.579 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCOC2(CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001573570179 947083571 /nfs/dbraw/zinc/08/35/71/947083571.db2.gz LQPVAMUVXKRWAY-LBPRGKRZSA-N -1 3 385.403 0.579 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC001573299777 947102271 /nfs/dbraw/zinc/10/22/71/947102271.db2.gz LTKRKTPYAGROCJ-OAUYIBNBSA-N -1 3 398.471 0.674 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC001573299777 947102277 /nfs/dbraw/zinc/10/22/77/947102277.db2.gz LTKRKTPYAGROCJ-OAUYIBNBSA-N -1 3 398.471 0.674 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573300015 947104333 /nfs/dbraw/zinc/10/43/33/947104333.db2.gz NGXIELCXCHOFPY-LRDDRELGSA-N -1 3 386.460 0.991 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573300015 947104341 /nfs/dbraw/zinc/10/43/41/947104341.db2.gz NGXIELCXCHOFPY-LRDDRELGSA-N -1 3 386.460 0.991 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573300013 947105229 /nfs/dbraw/zinc/10/52/29/947105229.db2.gz NGXIELCXCHOFPY-BLLLJJGKSA-N -1 3 386.460 0.991 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573300013 947105234 /nfs/dbraw/zinc/10/52/34/947105234.db2.gz NGXIELCXCHOFPY-BLLLJJGKSA-N -1 3 386.460 0.991 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573300697 947119090 /nfs/dbraw/zinc/11/90/90/947119090.db2.gz SFRVMLLVVHUIGP-HNNXBMFYSA-N -1 3 386.460 0.911 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573300697 947119094 /nfs/dbraw/zinc/11/90/94/947119094.db2.gz SFRVMLLVVHUIGP-HNNXBMFYSA-N -1 3 386.460 0.911 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccccc1 ZINC001573574456 947129994 /nfs/dbraw/zinc/12/99/94/947129994.db2.gz SAMUVUVMWBAERK-XHDPSFHLSA-N -1 3 378.396 0.942 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccccc1 ZINC001573574456 947130000 /nfs/dbraw/zinc/13/00/00/947130000.db2.gz SAMUVUVMWBAERK-XHDPSFHLSA-N -1 3 378.396 0.942 20 30 GCEDHM C=C(C)CCC(=O)N[C@@H]1COC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001573301149 947130650 /nfs/dbraw/zinc/13/06/50/947130650.db2.gz ZPGPMRCUOAEAHQ-LBPRGKRZSA-N -1 3 385.428 0.651 20 30 GCEDHM C=C(C)CCC(=O)N[C@@H]1COC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001573301149 947130655 /nfs/dbraw/zinc/13/06/55/947130655.db2.gz ZPGPMRCUOAEAHQ-LBPRGKRZSA-N -1 3 385.428 0.651 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CCO1 ZINC001573575934 947145759 /nfs/dbraw/zinc/14/57/59/947145759.db2.gz BVQWRYLVXIDMKL-SGTLLEGYSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CCO1 ZINC001573575934 947145764 /nfs/dbraw/zinc/14/57/64/947145764.db2.gz BVQWRYLVXIDMKL-SGTLLEGYSA-N -1 3 387.419 0.873 20 30 GCEDHM C=CC(C)(C)CC(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573305063 947147803 /nfs/dbraw/zinc/14/78/03/947147803.db2.gz LRVXWGPFGLKRSO-UHFFFAOYSA-N -1 3 387.444 0.490 20 30 GCEDHM C=CC(C)(C)CC(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573305063 947147809 /nfs/dbraw/zinc/14/78/09/947147809.db2.gz LRVXWGPFGLKRSO-UHFFFAOYSA-N -1 3 387.444 0.490 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2cc(F)ccc2-c2nn[n-]n2)CCO1 ZINC001573576215 947149490 /nfs/dbraw/zinc/14/94/90/947149490.db2.gz FESLZMDOAHJMMP-XIKOKIGWSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573576601 947153558 /nfs/dbraw/zinc/15/35/58/947153558.db2.gz HYJHAKIBLCXXFY-XHDPSFHLSA-N -1 3 378.396 0.942 20 30 GCEDHM C=CC(C)(C)CC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573305579 947156560 /nfs/dbraw/zinc/15/65/60/947156560.db2.gz DISQDLIUSUEBBY-SFHVURJKSA-N -1 3 387.444 0.490 20 30 GCEDHM C=CC(C)(C)CC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573305579 947156567 /nfs/dbraw/zinc/15/65/67/947156567.db2.gz DISQDLIUSUEBBY-SFHVURJKSA-N -1 3 387.444 0.490 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccccc1 ZINC001573577218 947164135 /nfs/dbraw/zinc/16/41/35/947164135.db2.gz NQTBVUQLWCEYQB-NHYWBVRUSA-N -1 3 378.396 0.942 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccccc1 ZINC001573577218 947164142 /nfs/dbraw/zinc/16/41/42/947164142.db2.gz NQTBVUQLWCEYQB-NHYWBVRUSA-N -1 3 378.396 0.942 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573577197 947164519 /nfs/dbraw/zinc/16/45/19/947164519.db2.gz NFEXZJXGWPCNHS-PSLIRLAXSA-N -1 3 376.808 0.132 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573577197 947164520 /nfs/dbraw/zinc/16/45/20/947164520.db2.gz NFEXZJXGWPCNHS-PSLIRLAXSA-N -1 3 376.808 0.132 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H]1CCC2(CN(Cc3ccccc3-c3nn[n-]n3)C2)O1 ZINC001573577444 947167811 /nfs/dbraw/zinc/16/78/11/947167811.db2.gz POHQKSPYYCKXKJ-DZGCQCFKSA-N -1 3 381.440 0.876 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@]1(C)CN(Cc2cc(-c3nn[n-]n3)ccc2F)CCO1 ZINC001573577485 947168218 /nfs/dbraw/zinc/16/82/18/947168218.db2.gz QHNWDOZVRAVOAZ-KZULUSFZSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@H]1COC2(CN(Cc3ccc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001573578057 947181011 /nfs/dbraw/zinc/18/10/11/947181011.db2.gz XQUYOUPDPJDXIL-SMDDNHRTSA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001573578057 947181017 /nfs/dbraw/zinc/18/10/17/947181017.db2.gz XQUYOUPDPJDXIL-SMDDNHRTSA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@H]1COC2(CN(Cc3cc(F)ccc3-c3nn[n-]n3)C2)C1 ZINC001573578069 947181111 /nfs/dbraw/zinc/18/11/11/947181111.db2.gz XTUOXBOKGGTEGT-FZMZJTMJSA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCC1(F)F ZINC001573581916 947184260 /nfs/dbraw/zinc/18/42/60/947184260.db2.gz AJNDQTHZJUPCBI-CMPLNLGQSA-N -1 3 376.371 0.999 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCC1(F)F ZINC001573581916 947184267 /nfs/dbraw/zinc/18/42/67/947184267.db2.gz AJNDQTHZJUPCBI-CMPLNLGQSA-N -1 3 376.371 0.999 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573309090 947190954 /nfs/dbraw/zinc/19/09/54/947190954.db2.gz CLFIDNFKRVMLHY-BVSJBKOGSA-N -1 3 385.428 0.384 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573309090 947190958 /nfs/dbraw/zinc/19/09/58/947190958.db2.gz CLFIDNFKRVMLHY-BVSJBKOGSA-N -1 3 385.428 0.384 20 30 GCEDHM C=C[C@](C)(O)CC(=O)NC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573309316 947196537 /nfs/dbraw/zinc/19/65/37/947196537.db2.gz GRXBQWTWNLLEOA-DYVFJYSZSA-N -1 3 375.433 0.393 20 30 GCEDHM C=C[C@](C)(O)CC(=O)NC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573309316 947196545 /nfs/dbraw/zinc/19/65/45/947196545.db2.gz GRXBQWTWNLLEOA-DYVFJYSZSA-N -1 3 375.433 0.393 20 30 GCEDHM C[C@H](C#N)C(=O)NCCN1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573583077 947197880 /nfs/dbraw/zinc/19/78/80/947197880.db2.gz IOJYHCXXEVYZFK-CYBMUJFWSA-N -1 3 386.435 0.399 20 30 GCEDHM C[C@H](C#N)C(=O)NCCN1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001573583077 947197895 /nfs/dbraw/zinc/19/78/95/947197895.db2.gz IOJYHCXXEVYZFK-CYBMUJFWSA-N -1 3 386.435 0.399 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)C ZINC001573309450 947201419 /nfs/dbraw/zinc/20/14/19/947201419.db2.gz JARYPUZRRICCBN-FZKQIMNGSA-N -1 3 389.460 0.783 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)C ZINC001573309450 947201427 /nfs/dbraw/zinc/20/14/27/947201427.db2.gz JARYPUZRRICCBN-FZKQIMNGSA-N -1 3 389.460 0.783 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573309663 947205349 /nfs/dbraw/zinc/20/53/49/947205349.db2.gz MNDLZOBQLXCYDG-GTNSWQLSSA-N -1 3 375.408 0.988 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573309663 947205361 /nfs/dbraw/zinc/20/53/61/947205361.db2.gz MNDLZOBQLXCYDG-GTNSWQLSSA-N -1 3 375.408 0.988 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1C[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1 ZINC001573309604 947205998 /nfs/dbraw/zinc/20/59/98/947205998.db2.gz LLYVAEVBKZBDNL-TYILLQQXSA-N -1 3 383.456 0.874 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1C[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1 ZINC001573309604 947206008 /nfs/dbraw/zinc/20/60/08/947206008.db2.gz LLYVAEVBKZBDNL-TYILLQQXSA-N -1 3 383.456 0.874 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CCCO1 ZINC001573584153 947212502 /nfs/dbraw/zinc/21/25/02/947212502.db2.gz QRSWLRBCXZRNQB-GXTWGEPZSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CCCO1 ZINC001573584156 947213546 /nfs/dbraw/zinc/21/35/46/947213546.db2.gz QRSWLRBCXZRNQB-TZMCWYRMSA-N -1 3 387.419 0.873 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CC[C@H](CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573310225 947218405 /nfs/dbraw/zinc/21/84/05/947218405.db2.gz VBDYPSKCIKXAJA-XIKOKIGWSA-N -1 3 387.444 0.442 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CC[C@H](CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573310225 947218417 /nfs/dbraw/zinc/21/84/17/947218417.db2.gz VBDYPSKCIKXAJA-XIKOKIGWSA-N -1 3 387.444 0.442 20 30 GCEDHM C[C@@H](C#N)C(=O)NCCN1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001573584504 947225488 /nfs/dbraw/zinc/22/54/88/947225488.db2.gz WYVDZCQLPSUAMU-ZDUSSCGKSA-N -1 3 386.435 0.399 20 30 GCEDHM C[C@H](C#N)C(=O)NCc1ccc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC001573584713 947233089 /nfs/dbraw/zinc/23/30/89/947233089.db2.gz CGSUBIPUSRGEED-LLVKDONJSA-N -1 3 378.396 0.901 20 30 GCEDHM C[C@H](C#N)C(=O)NCc1ccc(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC001573584713 947233100 /nfs/dbraw/zinc/23/31/00/947233100.db2.gz CGSUBIPUSRGEED-LLVKDONJSA-N -1 3 378.396 0.901 20 30 GCEDHM C=C[C@@H](CC)CC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573316353 947273026 /nfs/dbraw/zinc/27/30/26/947273026.db2.gz VZPLUBMFFYZMHM-QWHCGFSZSA-N -1 3 387.444 0.754 20 30 GCEDHM C=C[C@@H](CC)CC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573316353 947273041 /nfs/dbraw/zinc/27/30/41/947273041.db2.gz VZPLUBMFFYZMHM-QWHCGFSZSA-N -1 3 387.444 0.754 20 30 GCEDHM CCn1c2nnc(Cn3cnc(C#N)c3-c3nnn[n-]3)n2c2ccccc2c1=O ZINC000825782934 947329264 /nfs/dbraw/zinc/32/92/64/947329264.db2.gz WBJUBQYAIYRPEU-UHFFFAOYSA-N -1 3 387.367 0.361 20 30 GCEDHM CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000825845762 947346183 /nfs/dbraw/zinc/34/61/83/947346183.db2.gz LZFASKWOERKXIY-ZDUSSCGKSA-N -1 3 392.379 0.858 20 30 GCEDHM C=CCCCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573333751 947441575 /nfs/dbraw/zinc/44/15/75/947441575.db2.gz DTYLXWQBTGXORL-GFCCVEGCSA-N -1 3 375.433 0.442 20 30 GCEDHM C=CCCCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573333751 947441579 /nfs/dbraw/zinc/44/15/79/947441579.db2.gz DTYLXWQBTGXORL-GFCCVEGCSA-N -1 3 375.433 0.442 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573335627 947485987 /nfs/dbraw/zinc/48/59/87/947485987.db2.gz BYRFCHYEXIIIRF-LALPHHSUSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573335627 947485994 /nfs/dbraw/zinc/48/59/94/947485994.db2.gz BYRFCHYEXIIIRF-LALPHHSUSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CCCO[C@H](C)C(=O)NC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573335848 947490826 /nfs/dbraw/zinc/49/08/26/947490826.db2.gz FMRBQJAUCQGOQE-GFCCVEGCSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCO[C@H](C)C(=O)NC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573335848 947490829 /nfs/dbraw/zinc/49/08/29/947490829.db2.gz FMRBQJAUCQGOQE-GFCCVEGCSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCCC(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@H]1O ZINC001573335923 947493103 /nfs/dbraw/zinc/49/31/03/947493103.db2.gz XGYNKHMETDQDSJ-CHWSQXEVSA-N -1 3 377.836 0.937 20 30 GCEDHM C=CCCCC(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@H]1O ZINC001573335923 947493108 /nfs/dbraw/zinc/49/31/08/947493108.db2.gz XGYNKHMETDQDSJ-CHWSQXEVSA-N -1 3 377.836 0.937 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1O ZINC001573336002 947495564 /nfs/dbraw/zinc/49/55/64/947495564.db2.gz GZOISDGXHVXCCD-NWANDNLSSA-N -1 3 387.444 0.217 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1O ZINC001573336002 947495568 /nfs/dbraw/zinc/49/55/68/947495568.db2.gz GZOISDGXHVXCCD-NWANDNLSSA-N -1 3 387.444 0.217 20 30 GCEDHM C=CCCOCC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573335990 947495914 /nfs/dbraw/zinc/49/59/14/947495914.db2.gz GUJHUPYUAONQMH-TZMCWYRMSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCCOCC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573335990 947495919 /nfs/dbraw/zinc/49/59/19/947495919.db2.gz GUJHUPYUAONQMH-TZMCWYRMSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001573336274 947504764 /nfs/dbraw/zinc/50/47/64/947504764.db2.gz MFNSUGWXWNKKJG-WOSRLPQWSA-N -1 3 399.455 0.849 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001573336274 947504777 /nfs/dbraw/zinc/50/47/77/947504777.db2.gz MFNSUGWXWNKKJG-WOSRLPQWSA-N -1 3 399.455 0.849 20 30 GCEDHM C=CCCOCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573336597 947509509 /nfs/dbraw/zinc/50/95/09/947509509.db2.gz PNZFGOCGKFRPLM-OCCSQVGLSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CCCOCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573336597 947509513 /nfs/dbraw/zinc/50/95/13/947509513.db2.gz PNZFGOCGKFRPLM-OCCSQVGLSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N1CCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573337337 947515835 /nfs/dbraw/zinc/51/58/35/947515835.db2.gz WAUBYNCOTKRLAB-OCCSQVGLSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N1CCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573337337 947515840 /nfs/dbraw/zinc/51/58/40/947515840.db2.gz WAUBYNCOTKRLAB-OCCSQVGLSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001573337599 947518159 /nfs/dbraw/zinc/51/81/59/947518159.db2.gz YYKDGFUQSHAJKV-XJKCOSOUSA-N -1 3 399.455 0.849 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001573337599 947518167 /nfs/dbraw/zinc/51/81/67/947518167.db2.gz YYKDGFUQSHAJKV-XJKCOSOUSA-N -1 3 399.455 0.849 20 30 GCEDHM C=CCN1CC[C@@H](N2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1=O ZINC001573341299 947531540 /nfs/dbraw/zinc/53/15/40/947531540.db2.gz JTTPKKYKHAEUIE-IUODEOHRSA-N -1 3 384.444 0.176 20 30 GCEDHM C=CCN1CC[C@@H](N2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001573341299 947531550 /nfs/dbraw/zinc/53/15/50/947531550.db2.gz JTTPKKYKHAEUIE-IUODEOHRSA-N -1 3 384.444 0.176 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1nc(N(C)C)n[nH]1 ZINC001573342357 947541284 /nfs/dbraw/zinc/54/12/84/947541284.db2.gz WRBHPOCDCKMSMJ-UHFFFAOYSA-N -1 3 382.432 0.949 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1nc(N(C)C)n[nH]1 ZINC001573342357 947541295 /nfs/dbraw/zinc/54/12/95/947541295.db2.gz WRBHPOCDCKMSMJ-UHFFFAOYSA-N -1 3 382.432 0.949 20 30 GCEDHM C=CCOCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C(C)(C)C1 ZINC001573343255 947553968 /nfs/dbraw/zinc/55/39/68/947553968.db2.gz LPSJSTLXCYSEDB-CQSZACIVSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CCOCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001573343255 947553971 /nfs/dbraw/zinc/55/39/71/947553971.db2.gz LPSJSTLXCYSEDB-CQSZACIVSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CCOCC(=O)N1CCO[C@H]([C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573343266 947555726 /nfs/dbraw/zinc/55/57/26/947555726.db2.gz LVKRRBKBLGWUEQ-ZFWWWQNUSA-N -1 3 387.444 0.801 20 30 GCEDHM C=CCOCC(=O)N1CCO[C@H]([C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573343266 947555733 /nfs/dbraw/zinc/55/57/33/947555733.db2.gz LVKRRBKBLGWUEQ-ZFWWWQNUSA-N -1 3 387.444 0.801 20 30 GCEDHM C=CCOCC(=O)NCC(C)(C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573343627 947562879 /nfs/dbraw/zinc/56/28/79/947562879.db2.gz RDOARXAFEVZZSF-UHFFFAOYSA-N -1 3 375.433 0.612 20 30 GCEDHM C=CCOCC(=O)NCC(C)(C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573343627 947562884 /nfs/dbraw/zinc/56/28/84/947562884.db2.gz RDOARXAFEVZZSF-UHFFFAOYSA-N -1 3 375.433 0.612 20 30 GCEDHM C=CCOCCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C ZINC001573347084 947572336 /nfs/dbraw/zinc/57/23/36/947572336.db2.gz AELZODXITQJAOY-STQMWFEESA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCOCCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001573347084 947572344 /nfs/dbraw/zinc/57/23/44/947572344.db2.gz AELZODXITQJAOY-STQMWFEESA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCOc1cccnc1C(=O)NCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573348457 947583365 /nfs/dbraw/zinc/58/33/65/947583365.db2.gz QWDARPFWMJJLQJ-UHFFFAOYSA-N -1 3 382.384 0.314 20 30 GCEDHM C=CCOc1cccnc1C(=O)NCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573348457 947583371 /nfs/dbraw/zinc/58/33/71/947583371.db2.gz QWDARPFWMJJLQJ-UHFFFAOYSA-N -1 3 382.384 0.314 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@](C)(CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573350640 947599529 /nfs/dbraw/zinc/59/95/29/947599529.db2.gz HURJFHXRVQWKAO-WTANOLMUSA-N -1 3 399.455 0.801 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@](C)(CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573350640 947599536 /nfs/dbraw/zinc/59/95/36/947599536.db2.gz HURJFHXRVQWKAO-WTANOLMUSA-N -1 3 399.455 0.801 20 30 GCEDHM C[C@@H](C(=O)N1CC[C@@H](N(C)c2cccc(-c3nnn[n-]3)c2)C1)n1cnc(C#N)n1 ZINC001573615263 947602345 /nfs/dbraw/zinc/60/23/45/947602345.db2.gz CRXHAWJYVPZRGU-SWLSCSKDSA-N -1 3 392.427 0.628 20 30 GCEDHM C[C@@H](C(=O)N1CC[C@@H](N(C)c2cccc(-c3nn[n-]n3)c2)C1)n1cnc(C#N)n1 ZINC001573615263 947602357 /nfs/dbraw/zinc/60/23/57/947602357.db2.gz CRXHAWJYVPZRGU-SWLSCSKDSA-N -1 3 392.427 0.628 20 30 GCEDHM C=CCn1cc(C(=O)NC[C@H](CC)Nc2ncc(-c3nnn[n-]3)cc2F)nn1 ZINC001573350853 947603086 /nfs/dbraw/zinc/60/30/86/947603086.db2.gz JLULJGXVOUWEMV-NSHDSACASA-N -1 3 386.395 0.799 20 30 GCEDHM C=CCn1cc(C(=O)NC[C@H](CC)Nc2ncc(-c3nn[n-]n3)cc2F)nn1 ZINC001573350853 947603091 /nfs/dbraw/zinc/60/30/91/947603091.db2.gz JLULJGXVOUWEMV-NSHDSACASA-N -1 3 386.395 0.799 20 30 GCEDHM C=CCn1cccc1C(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573350880 947603222 /nfs/dbraw/zinc/60/32/22/947603222.db2.gz KIGQKPQUMOPZJW-UHFFFAOYSA-N -1 3 380.412 0.684 20 30 GCEDHM C=CCn1cccc1C(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573350880 947603225 /nfs/dbraw/zinc/60/32/25/947603225.db2.gz KIGQKPQUMOPZJW-UHFFFAOYSA-N -1 3 380.412 0.684 20 30 GCEDHM C=CCn1cc(C(=O)N[C@@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C2)nn1 ZINC001573351250 947611053 /nfs/dbraw/zinc/61/10/53/947611053.db2.gz PALZHQGWKFEGOY-GFCCVEGCSA-N -1 3 380.416 0.356 20 30 GCEDHM C=CCn1cc(C(=O)N[C@@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C2)nn1 ZINC001573351250 947611061 /nfs/dbraw/zinc/61/10/61/947611061.db2.gz PALZHQGWKFEGOY-GFCCVEGCSA-N -1 3 380.416 0.356 20 30 GCEDHM CC#CCCCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](OC)C1 ZINC001573357963 947655429 /nfs/dbraw/zinc/65/54/29/947655429.db2.gz DKQMQDMJWVEXQC-HUUCEWRRSA-N -1 3 385.428 0.344 20 30 GCEDHM CC#CCCCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](OC)C1 ZINC001573357963 947655435 /nfs/dbraw/zinc/65/54/35/947655435.db2.gz DKQMQDMJWVEXQC-HUUCEWRRSA-N -1 3 385.428 0.344 20 30 GCEDHM CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cncc(-c3nnn[n-]3)c2)c1 ZINC001573358670 947667941 /nfs/dbraw/zinc/66/79/41/947667941.db2.gz ORYCLFJFLPQYKN-UHFFFAOYSA-N -1 3 396.432 0.989 20 30 GCEDHM CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cncc(-c3nn[n-]n3)c2)c1 ZINC001573358670 947667950 /nfs/dbraw/zinc/66/79/50/947667950.db2.gz ORYCLFJFLPQYKN-UHFFFAOYSA-N -1 3 396.432 0.989 20 30 GCEDHM C[C@@H](C(=O)N1CCC(Nc2ccccc2-c2nnn[n-]2)CC1)n1cnc(C#N)n1 ZINC001573622969 947683131 /nfs/dbraw/zinc/68/31/31/947683131.db2.gz CPVYJPHCLQBRFL-LBPRGKRZSA-N -1 3 392.427 0.994 20 30 GCEDHM C[C@@H](C(=O)N1CCC(Nc2ccccc2-c2nn[n-]n2)CC1)n1cnc(C#N)n1 ZINC001573622969 947683141 /nfs/dbraw/zinc/68/31/41/947683141.db2.gz CPVYJPHCLQBRFL-LBPRGKRZSA-N -1 3 392.427 0.994 20 30 GCEDHM N#Cc1cc(C(=O)NC[C@H]2CCC[C@H]2NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c[nH]1 ZINC000826383658 948183775 /nfs/dbraw/zinc/18/37/75/948183775.db2.gz KRSPBPRIHFAOSP-QMTHXVAHSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1cc(C(=O)NC[C@H]2CCC[C@H]2NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c[nH]1 ZINC000826383658 948183786 /nfs/dbraw/zinc/18/37/86/948183786.db2.gz KRSPBPRIHFAOSP-QMTHXVAHSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1ncn(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1-c1nnn[n-]1 ZINC000826388190 948193815 /nfs/dbraw/zinc/19/38/15/948193815.db2.gz MHOOLLCHOPZQNS-UHFFFAOYSA-N -1 3 397.830 0.937 20 30 GCEDHM CC1(Nc2ccc(C#N)nn2)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575853241 949210505 /nfs/dbraw/zinc/21/05/05/949210505.db2.gz MNMMMLSNOUZYMI-UHFFFAOYSA-N -1 3 378.400 0.963 20 30 GCEDHM CC1(Nc2ccc(C#N)nn2)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575853241 949210522 /nfs/dbraw/zinc/21/05/22/949210522.db2.gz MNMMMLSNOUZYMI-UHFFFAOYSA-N -1 3 378.400 0.963 20 30 GCEDHM CC1(Nc2cncc(C#N)n2)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575854016 949222709 /nfs/dbraw/zinc/22/27/09/949222709.db2.gz YKRQULAUKGXYDR-UHFFFAOYSA-N -1 3 378.400 0.963 20 30 GCEDHM CC1(Nc2cncc(C#N)n2)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575854016 949222738 /nfs/dbraw/zinc/22/27/38/949222738.db2.gz YKRQULAUKGXYDR-UHFFFAOYSA-N -1 3 378.400 0.963 20 30 GCEDHM CC1(Nc2ccnc(C#N)n2)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575854403 949234134 /nfs/dbraw/zinc/23/41/34/949234134.db2.gz UWCDSYSSHKCLHS-UHFFFAOYSA-N -1 3 378.400 0.963 20 30 GCEDHM CC1(Nc2ccnc(C#N)n2)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575854403 949234155 /nfs/dbraw/zinc/23/41/55/949234155.db2.gz UWCDSYSSHKCLHS-UHFFFAOYSA-N -1 3 378.400 0.963 20 30 GCEDHM CC1(Nc2ccnc(C#N)n2)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575854459 949235097 /nfs/dbraw/zinc/23/50/97/949235097.db2.gz XVHXOAZYYIYUML-UHFFFAOYSA-N -1 3 378.400 0.963 20 30 GCEDHM CC1(Nc2ccnc(C#N)n2)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575854459 949235114 /nfs/dbraw/zinc/23/51/14/949235114.db2.gz XVHXOAZYYIYUML-UHFFFAOYSA-N -1 3 378.400 0.963 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575882819 949792331 /nfs/dbraw/zinc/79/23/31/949792331.db2.gz ATRXERTTZOYMKW-BXKDBHETSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575882819 949792347 /nfs/dbraw/zinc/79/23/47/949792347.db2.gz ATRXERTTZOYMKW-BXKDBHETSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1c1cncc(C#N)n1 ZINC001575883235 949809396 /nfs/dbraw/zinc/80/93/96/949809396.db2.gz DNWXQUYPGSAWLR-GWCFXTLKSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1c1cncc(C#N)n1 ZINC001575883235 949809418 /nfs/dbraw/zinc/80/94/18/949809418.db2.gz DNWXQUYPGSAWLR-GWCFXTLKSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1c1cnc(C#N)cn1 ZINC001575886425 949880575 /nfs/dbraw/zinc/88/05/75/949880575.db2.gz MHAWBWHKSOATKL-GXFFZTMASA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1c1cnc(C#N)cn1 ZINC001575886425 949880597 /nfs/dbraw/zinc/88/05/97/949880597.db2.gz MHAWBWHKSOATKL-GXFFZTMASA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1c1cnc(C#N)cn1 ZINC001575886428 949882797 /nfs/dbraw/zinc/88/27/97/949882797.db2.gz MHAWBWHKSOATKL-MFKMUULPSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1c1cnc(C#N)cn1 ZINC001575886428 949882823 /nfs/dbraw/zinc/88/28/23/949882823.db2.gz MHAWBWHKSOATKL-MFKMUULPSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575891767 950026452 /nfs/dbraw/zinc/02/64/52/950026452.db2.gz NJDBKVADPRCTFJ-JOYOIKCWSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575891767 950026475 /nfs/dbraw/zinc/02/64/75/950026475.db2.gz NJDBKVADPRCTFJ-JOYOIKCWSA-N -1 3 379.384 0.428 20 30 GCEDHM CC(C)C[C@H](CNc1ccnc(C#N)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574157486 950238073 /nfs/dbraw/zinc/23/80/73/950238073.db2.gz CAGMTTNUZUDXKD-GFCCVEGCSA-N -1 3 380.416 0.535 20 30 GCEDHM CC(C)C[C@H](CNc1ccnc(C#N)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574157486 950238090 /nfs/dbraw/zinc/23/80/90/950238090.db2.gz CAGMTTNUZUDXKD-GFCCVEGCSA-N -1 3 380.416 0.535 20 30 GCEDHM CC(C)C[C@@H](CNc1ccnc(C#N)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574159262 950302793 /nfs/dbraw/zinc/30/27/93/950302793.db2.gz VFEZSAUSBIWHGY-LBPRGKRZSA-N -1 3 380.416 0.535 20 30 GCEDHM CC(C)C[C@@H](CNc1ccnc(C#N)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574159262 950302814 /nfs/dbraw/zinc/30/28/14/950302814.db2.gz VFEZSAUSBIWHGY-LBPRGKRZSA-N -1 3 380.416 0.535 20 30 GCEDHM C[C@H](C[C@H](C)NC(=O)c1ccc(C#N)[nH]1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574530761 950995963 /nfs/dbraw/zinc/99/59/63/950995963.db2.gz WRZFFNHFQIPNEE-ZJUUUORDSA-N -1 3 381.400 0.721 20 30 GCEDHM C[C@H](C[C@H](C)NC(=O)c1ccc(C#N)[nH]1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574530761 950995973 /nfs/dbraw/zinc/99/59/73/950995973.db2.gz WRZFFNHFQIPNEE-ZJUUUORDSA-N -1 3 381.400 0.721 20 30 GCEDHM C[C@@](CNc1ccnc(C#N)n1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575145041 952177126 /nfs/dbraw/zinc/17/71/26/952177126.db2.gz OQDOMUMLHOLNTG-KRWDZBQOSA-N -1 3 378.400 0.289 20 30 GCEDHM C[C@@](CNc1ccnc(C#N)n1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575145041 952177131 /nfs/dbraw/zinc/17/71/31/952177131.db2.gz OQDOMUMLHOLNTG-KRWDZBQOSA-N -1 3 378.400 0.289 20 30 GCEDHM N#Cc1cnc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(-c4nnn[n-]4)[nH]2)C3)cn1 ZINC001571119858 952495784 /nfs/dbraw/zinc/49/57/84/952495784.db2.gz FWESLEHTLKGYSY-SWHYSGLUSA-N -1 3 376.384 0.396 20 30 GCEDHM N#Cc1cnc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(-c4nn[n-]n4)[nH]2)C3)cn1 ZINC001571119858 952495790 /nfs/dbraw/zinc/49/57/90/952495790.db2.gz FWESLEHTLKGYSY-SWHYSGLUSA-N -1 3 376.384 0.396 20 30 GCEDHM COc1ccc(C#N)cc1CN1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571130049 952578291 /nfs/dbraw/zinc/57/82/91/952578291.db2.gz ODGQPCUUIVKOGD-UHFFFAOYSA-N -1 3 378.396 0.689 20 30 GCEDHM COc1ccc(C#N)cc1CN1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571130049 952578293 /nfs/dbraw/zinc/57/82/93/952578293.db2.gz ODGQPCUUIVKOGD-UHFFFAOYSA-N -1 3 378.396 0.689 20 30 GCEDHM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@H]1Nc1nccnc1C#N ZINC001571135836 952608944 /nfs/dbraw/zinc/60/89/44/952608944.db2.gz FTORYKIDRZDFQT-GHMZBOCLSA-N -1 3 378.400 0.819 20 30 GCEDHM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@H]1Nc1nccnc1C#N ZINC001571135836 952608946 /nfs/dbraw/zinc/60/89/46/952608946.db2.gz FTORYKIDRZDFQT-GHMZBOCLSA-N -1 3 378.400 0.819 20 30 GCEDHM C[C@]1(CNc2cnc(C#N)cn2)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571135974 952611275 /nfs/dbraw/zinc/61/12/75/952611275.db2.gz JMURLOFKOGTSMM-QGZVFWFLSA-N -1 3 378.400 0.821 20 30 GCEDHM C[C@]1(CNc2cnc(C#N)cn2)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571135974 952611279 /nfs/dbraw/zinc/61/12/79/952611279.db2.gz JMURLOFKOGTSMM-QGZVFWFLSA-N -1 3 378.400 0.821 20 30 GCEDHM N#Cc1cncc(NC[C@@H]2CCC[C@@H]2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001571135965 952611382 /nfs/dbraw/zinc/61/13/82/952611382.db2.gz JLVVPAHFVOVQRV-JQWIXIFHSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1cncc(NC[C@@H]2CCC[C@@H]2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001571135965 952611383 /nfs/dbraw/zinc/61/13/83/952611383.db2.gz JLVVPAHFVOVQRV-JQWIXIFHSA-N -1 3 378.400 0.867 20 30 GCEDHM CN(c1cnc(C#N)cn1)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571136071 952612399 /nfs/dbraw/zinc/61/23/99/952612399.db2.gz LRTBXSPHZMVQCE-ZDUSSCGKSA-N -1 3 378.400 0.597 20 30 GCEDHM CN(c1cnc(C#N)cn1)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571136071 952612402 /nfs/dbraw/zinc/61/24/02/952612402.db2.gz LRTBXSPHZMVQCE-ZDUSSCGKSA-N -1 3 378.400 0.597 20 30 GCEDHM Cc1cc(C#N)nc(N[C@@H]2C[C@@H](C)N(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571136581 952615513 /nfs/dbraw/zinc/61/55/13/952615513.db2.gz RPKUWBZRYSRPEM-ZWNOBZJWSA-N -1 3 378.400 0.880 20 30 GCEDHM Cc1cc(C#N)nc(N[C@@H]2C[C@@H](C)N(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571136581 952615516 /nfs/dbraw/zinc/61/55/16/952615516.db2.gz RPKUWBZRYSRPEM-ZWNOBZJWSA-N -1 3 378.400 0.880 20 30 GCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(c2nc[nH]n2)CC1 ZINC001571136649 952616367 /nfs/dbraw/zinc/61/63/67/952616367.db2.gz UGBBXEVILDUITO-AWEZNQCLSA-N -1 3 378.400 0.016 20 30 GCEDHM C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1c1ccnc(C#N)n1 ZINC001571136845 952616980 /nfs/dbraw/zinc/61/69/80/952616980.db2.gz XXFHAIWOUXECSV-PWSUYJOCSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1c1ccnc(C#N)n1 ZINC001571136845 952616981 /nfs/dbraw/zinc/61/69/81/952616981.db2.gz XXFHAIWOUXECSV-PWSUYJOCSA-N -1 3 378.400 0.644 20 30 GCEDHM Cc1cc(C#N)nc(N[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)n1 ZINC001571136987 952617208 /nfs/dbraw/zinc/61/72/08/952617208.db2.gz YYENUYWCBYYQJP-OTYXRUKQSA-N -1 3 378.400 0.738 20 30 GCEDHM Cc1cc(C#N)nc(N[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)n1 ZINC001571136987 952617212 /nfs/dbraw/zinc/61/72/12/952617212.db2.gz YYENUYWCBYYQJP-OTYXRUKQSA-N -1 3 378.400 0.738 20 30 GCEDHM C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571139131 952619289 /nfs/dbraw/zinc/61/92/89/952619289.db2.gz COGRFFREYKJUSN-TVQRCGJNSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571139131 952619293 /nfs/dbraw/zinc/61/92/93/952619293.db2.gz COGRFFREYKJUSN-TVQRCGJNSA-N -1 3 379.384 0.428 20 30 GCEDHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001571139560 952620203 /nfs/dbraw/zinc/62/02/03/952620203.db2.gz IAKOMLQMISMRHE-GFCCVEGCSA-N -1 3 379.384 0.381 20 30 GCEDHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001571139560 952620207 /nfs/dbraw/zinc/62/02/07/952620207.db2.gz IAKOMLQMISMRHE-GFCCVEGCSA-N -1 3 379.384 0.381 20 30 GCEDHM N#Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)[nH]1 ZINC001571139564 952621123 /nfs/dbraw/zinc/62/11/23/952621123.db2.gz IETYCADLKQYOKM-HOMQSWHASA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)[nH]1 ZINC001571139564 952621126 /nfs/dbraw/zinc/62/11/26/952621126.db2.gz IETYCADLKQYOKM-HOMQSWHASA-N -1 3 379.384 0.333 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571140005 952622112 /nfs/dbraw/zinc/62/21/12/952622112.db2.gz MXWNMUQSBPJFOA-SKDRFNHKSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571140005 952622116 /nfs/dbraw/zinc/62/21/16/952622116.db2.gz MXWNMUQSBPJFOA-SKDRFNHKSA-N -1 3 379.384 0.428 20 30 GCEDHM CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571141166 952630735 /nfs/dbraw/zinc/63/07/35/952630735.db2.gz VEUCTMGMDNOXFW-NSHDSACASA-N -1 3 379.384 0.381 20 30 GCEDHM CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571141166 952630737 /nfs/dbraw/zinc/63/07/37/952630737.db2.gz VEUCTMGMDNOXFW-NSHDSACASA-N -1 3 379.384 0.381 20 30 GCEDHM C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571141314 952632939 /nfs/dbraw/zinc/63/29/39/952632939.db2.gz XKYZYNFRSJUFPL-CABZTGNLSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571141314 952632945 /nfs/dbraw/zinc/63/29/45/952632945.db2.gz XKYZYNFRSJUFPL-CABZTGNLSA-N -1 3 379.384 0.428 20 30 GCEDHM N#Cc1ccccc1OC[C@@H](O)CN1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001594631529 956343205 /nfs/dbraw/zinc/34/32/05/956343205.db2.gz DWZWCOHIWNMRHU-RDJZCZTQSA-N -1 3 387.436 0.695 20 30 GCEDHM C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)cc1 ZINC001588847872 984366661 /nfs/dbraw/zinc/36/66/61/984366661.db2.gz PYVURWIHOYWNEW-AWEZNQCLSA-N -1 3 381.454 0.239 20 30 GCEDHM CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C(=O)[O-])C1 ZINC001598607723 993699354 /nfs/dbraw/zinc/69/93/54/993699354.db2.gz SWGFHPIPMYKYCL-DLBZAZTESA-N -1 3 399.451 0.317 20 30 GCEDHM CN1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H](C(=O)[O-])C1 ZINC001598607726 993700170 /nfs/dbraw/zinc/70/01/70/993700170.db2.gz SWGFHPIPMYKYCL-SJORKVTESA-N -1 3 399.451 0.317 20 30 GCEDHM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CC#N)CC#N ZINC000571344922 530115158 /nfs/dbraw/zinc/11/51/58/530115158.db2.gz XHIZKYMZEHLGLU-CHWSQXEVSA-N -1 3 382.467 0.801 20 30 GCEDHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N ZINC000583333046 530118523 /nfs/dbraw/zinc/11/85/23/530118523.db2.gz DKPPMHKUKFAANB-VXGBXAGGSA-N -1 3 375.472 0.532 20 30 GCEDHM CN(CC(C)(C)O)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000571416642 530119456 /nfs/dbraw/zinc/11/94/56/530119456.db2.gz HBXJTAPHFFJNTQ-UHFFFAOYSA-N -1 3 389.499 0.658 20 30 GCEDHM N#CCNC(=O)CNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000557785806 530200076 /nfs/dbraw/zinc/20/00/76/530200076.db2.gz ANAPRWQTORLQAQ-UHFFFAOYSA-N -1 3 393.252 0.418 20 30 GCEDHM COC(=O)C[C@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000599462091 530164286 /nfs/dbraw/zinc/16/42/86/530164286.db2.gz MRCNVDXOVOGYTP-JTQLQIEISA-N -1 3 377.216 0.523 20 30 GCEDHM C[C@H](C#N)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000530891026 530166133 /nfs/dbraw/zinc/16/61/33/530166133.db2.gz JABWEIYTNHHXQW-SECBINFHSA-N -1 3 385.389 0.965 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000298428249 530171996 /nfs/dbraw/zinc/17/19/96/530171996.db2.gz WBHLXWJZMZPHCH-LBPRGKRZSA-N -1 3 390.458 0.549 20 30 GCEDHM C=CCN(C(=O)C[N-]S(=O)(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000299145608 530176857 /nfs/dbraw/zinc/17/68/57/530176857.db2.gz JEOAXOGHEAZISW-LLVKDONJSA-N -1 3 378.497 0.228 20 30 GCEDHM CC(C)C[C@@H]([N-]S(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)Nc1nccs1 ZINC000409475666 530229477 /nfs/dbraw/zinc/22/94/77/530229477.db2.gz JGOLTTJYJVXKSO-NWDGAFQWSA-N -1 3 387.487 0.555 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)[N-]CC(=O)Nc2ccc(F)c(F)c2F)CCO1 ZINC000409547781 530229980 /nfs/dbraw/zinc/22/99/80/530229980.db2.gz FKWMNJYWGRSJLJ-MRVPVSSYSA-N -1 3 378.332 0.101 20 30 GCEDHM CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000409570177 530230387 /nfs/dbraw/zinc/23/03/87/530230387.db2.gz KELJNWOCHCYADC-SNVBAGLBSA-N -1 3 380.517 0.472 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)[N-][C@H](Cc2ccccc2)[C@H](O)C(F)F)CCO1 ZINC000410131198 530235259 /nfs/dbraw/zinc/23/52/59/530235259.db2.gz PZKHBOCLFPNYGA-MCIONIFRSA-N -1 3 375.397 0.282 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c(F)c1 ZINC000539386610 530252223 /nfs/dbraw/zinc/25/22/23/530252223.db2.gz PYIIZCIXIHJXCP-SWLSCSKDSA-N -1 3 388.442 0.712 20 30 GCEDHM CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCOC[C@@H]2C#N)cc1F ZINC000269715727 530246180 /nfs/dbraw/zinc/24/61/80/530246180.db2.gz DOQXEWSOHVQUJE-NSHDSACASA-N -1 3 391.446 0.889 20 30 GCEDHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)O1 ZINC000583452104 530274221 /nfs/dbraw/zinc/27/42/21/530274221.db2.gz SHJOBPYDUWLIED-OLZOCXBDSA-N -1 3 387.483 0.676 20 30 GCEDHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@]2(C#N)CC2(C)C)s1 ZINC000427896341 530289054 /nfs/dbraw/zinc/28/90/54/530289054.db2.gz VCTIAOQROSSKQT-OAHLLOKOSA-N -1 3 384.483 0.471 20 30 GCEDHM CN1CC[C@](O)(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000451403562 530254711 /nfs/dbraw/zinc/25/47/11/530254711.db2.gz ZZKXINJTECQUPY-ZDUSSCGKSA-N -1 3 392.250 0.805 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c(F)c1 ZINC000551991465 530255101 /nfs/dbraw/zinc/25/51/01/530255101.db2.gz CSXQMXGKEVHCLT-GFCCVEGCSA-N -1 3 387.458 0.932 20 30 GCEDHM COCCN(CCC#N)S(=O)(=O)[N-][C@H](C)c1noc(COC(C)C)n1 ZINC000589308288 530344599 /nfs/dbraw/zinc/34/45/99/530344599.db2.gz BINDSNHSIMMYNM-GFCCVEGCSA-N -1 3 375.451 0.752 20 30 GCEDHM CC1(C#N)CN(S(=O)(=O)c2ccc(S(=O)(=O)[N-]CC(F)F)cc2)C1 ZINC000582073120 530375971 /nfs/dbraw/zinc/37/59/71/530375971.db2.gz UCYZYMSCUDTSEB-UHFFFAOYSA-N -1 3 379.410 0.764 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)Cn2ccnn2)c(C(F)(F)F)c1 ZINC000566493825 530384387 /nfs/dbraw/zinc/38/43/87/530384387.db2.gz XEPPHMUILASTTF-SNVBAGLBSA-N -1 3 375.332 0.508 20 30 GCEDHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCSC[C@@H]2C#N)cc1F ZINC000408098387 530394745 /nfs/dbraw/zinc/39/47/45/530394745.db2.gz FOMCFAZFUINEHE-VIFPVBQESA-N -1 3 379.460 0.827 20 30 GCEDHM N#CC[C@]1(O)CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000591991814 530412021 /nfs/dbraw/zinc/41/20/21/530412021.db2.gz MZDFSUBTHDGZRW-ZDUSSCGKSA-N -1 3 392.890 0.740 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCOC1 ZINC000594634109 530435710 /nfs/dbraw/zinc/43/57/10/530435710.db2.gz IEBJJNVLJOHVJA-QWHCGFSZSA-N -1 3 387.483 0.580 20 30 GCEDHM CC[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCOC1 ZINC000594634130 530435960 /nfs/dbraw/zinc/43/59/60/530435960.db2.gz KLUILPIFZGPJBM-CHWSQXEVSA-N -1 3 387.483 0.676 20 30 GCEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000594634447 530436215 /nfs/dbraw/zinc/43/62/15/530436215.db2.gz RFIPFMJXANTPDS-CHWSQXEVSA-N -1 3 387.483 0.724 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1(CO)CCC1 ZINC000594634494 530436323 /nfs/dbraw/zinc/43/63/23/530436323.db2.gz TZOOBMDUKNDCHW-UHFFFAOYSA-N -1 3 387.483 0.272 20 30 GCEDHM CC[C@](C)(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000594634669 530436342 /nfs/dbraw/zinc/43/63/42/530436342.db2.gz ZCIRSAUEIDSGJI-HNNXBMFYSA-N -1 3 389.499 0.706 20 30 GCEDHM CN([C@H]1CCOC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000594634539 530436359 /nfs/dbraw/zinc/43/63/59/530436359.db2.gz ACPZXTRASUINHR-LBPRGKRZSA-N -1 3 387.483 0.676 20 30 GCEDHM CN([C@@H]1CCOC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000594634537 530436376 /nfs/dbraw/zinc/43/63/76/530436376.db2.gz ACPZXTRASUINHR-GFCCVEGCSA-N -1 3 387.483 0.676 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCOC[C@H]1C ZINC000594637359 530437279 /nfs/dbraw/zinc/43/72/79/530437279.db2.gz BJECZPIVQACGEO-ZIAGYGMSSA-N -1 3 381.520 0.285 20 30 GCEDHM CC[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H](C)O ZINC000594633249 530434927 /nfs/dbraw/zinc/43/49/27/530434927.db2.gz AQTFILXJVFQUEE-VXGBXAGGSA-N -1 3 375.472 0.268 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CCOCC1 ZINC000594633381 530435017 /nfs/dbraw/zinc/43/50/17/530435017.db2.gz HMRXBBJHDAYKSP-LBPRGKRZSA-N -1 3 387.483 0.676 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]CCN2C(=O)CNC2=O)c(C(F)(F)F)c1 ZINC000264942601 530480739 /nfs/dbraw/zinc/48/07/39/530480739.db2.gz GYFDQTHSIKUNSK-UHFFFAOYSA-N -1 3 376.316 0.407 20 30 GCEDHM CC(C)(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000567752672 530547229 /nfs/dbraw/zinc/54/72/29/530547229.db2.gz SGKQXPQHYTVXHH-UHFFFAOYSA-N -1 3 375.472 0.316 20 30 GCEDHM COC(=O)[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000573666891 530525102 /nfs/dbraw/zinc/52/51/02/530525102.db2.gz ITXPOLHPJJNEAG-ZDUSSCGKSA-N -1 3 387.845 0.364 20 30 GCEDHM CC(C)(O)CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000563431423 530525960 /nfs/dbraw/zinc/52/59/60/530525960.db2.gz RGNFJKARCAZHLC-UHFFFAOYSA-N -1 3 389.499 0.706 20 30 GCEDHM COCC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)CCC1 ZINC000563431365 530525962 /nfs/dbraw/zinc/52/59/62/530525962.db2.gz PPXFZVSKZAJYSV-UHFFFAOYSA-N -1 3 387.483 0.678 20 30 GCEDHM CC[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C#N)[C@H](C)O ZINC000563431350 530526076 /nfs/dbraw/zinc/52/60/76/530526076.db2.gz OWKMHKLNMHVSHE-AGIUHOORSA-N -1 3 389.499 0.657 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCC1CCSCC1 ZINC000571226439 530528712 /nfs/dbraw/zinc/52/87/12/530528712.db2.gz PSUMKXLXZRKPCT-UHFFFAOYSA-N -1 3 389.524 0.910 20 30 GCEDHM C[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000566488571 530530729 /nfs/dbraw/zinc/53/07/29/530530729.db2.gz HXHYEIRGQWJRDK-NEPJUHHUSA-N -1 3 387.483 0.411 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)F)cc1 ZINC000566630222 530532641 /nfs/dbraw/zinc/53/26/41/530532641.db2.gz QMONAPDSFFKMRR-OLZOCXBDSA-N -1 3 396.437 0.852 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@]1(C)CCOC1 ZINC000566689887 530532979 /nfs/dbraw/zinc/53/29/79/530532979.db2.gz DXTVNZPYFLMZJM-SWLSCSKDSA-N -1 3 387.483 0.582 20 30 GCEDHM N#CCN1CCC(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000330930576 530535487 /nfs/dbraw/zinc/53/54/87/530535487.db2.gz PWLGAHKYRCRZDG-UHFFFAOYSA-N -1 3 384.234 0.063 20 30 GCEDHM CSC1(CNS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CC1 ZINC000568256137 530557099 /nfs/dbraw/zinc/55/70/99/530557099.db2.gz DYEKIXKFWKLHEC-UHFFFAOYSA-N -1 3 375.497 0.662 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2(S(C)(=O)=O)CC2)ccc1F ZINC000280335854 530557149 /nfs/dbraw/zinc/55/71/49/530557149.db2.gz BMAAPYBGIBYWCL-UHFFFAOYSA-N -1 3 390.458 0.597 20 30 GCEDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N)[C@H]1CCOC1 ZINC000563731775 530557324 /nfs/dbraw/zinc/55/73/24/530557324.db2.gz NLDWPIQJARKOHF-OLZOCXBDSA-N -1 3 387.483 0.534 20 30 GCEDHM C=CCSCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000287735417 530562991 /nfs/dbraw/zinc/56/29/91/530562991.db2.gz SHARWYLAFYELNA-UHFFFAOYSA-N -1 3 375.447 0.708 20 30 GCEDHM C=C[C@H](CO)NC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000290692073 530564234 /nfs/dbraw/zinc/56/42/34/530564234.db2.gz VAAABKOQWDMQMO-YPMHNXCESA-N -1 3 376.475 0.889 20 30 GCEDHM N#CC1(C[C@H](O)CN2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)CC1 ZINC000528470323 530582766 /nfs/dbraw/zinc/58/27/66/530582766.db2.gz HMUZDMIRCSJMLP-LBPRGKRZSA-N -1 3 384.424 0.492 20 30 GCEDHM C[C@H]1CCC[C@]1(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000574702816 530593710 /nfs/dbraw/zinc/59/37/10/530593710.db2.gz AYKNMXRJYGCJDK-WFASDCNBSA-N -1 3 387.483 0.318 20 30 GCEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 ZINC000452024023 530596469 /nfs/dbraw/zinc/59/64/69/530596469.db2.gz OLZYSPGAEDSUOI-LBPRGKRZSA-N -1 3 396.556 0.835 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000580570935 530615151 /nfs/dbraw/zinc/61/51/51/530615151.db2.gz RGKADJUMGKGGSU-YNEHKIRRSA-N -1 3 387.483 0.723 20 30 GCEDHM CC[C@H](O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000575196577 530598722 /nfs/dbraw/zinc/59/87/22/530598722.db2.gz QDJHYBCPIVIYHA-NSHDSACASA-N -1 3 375.472 0.316 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCO[C@H](C)C1 ZINC000580570934 530615461 /nfs/dbraw/zinc/61/54/61/530615461.db2.gz RGKADJUMGKGGSU-XQQFMLRXSA-N -1 3 387.483 0.723 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CO[C@H](C)C1 ZINC000580582372 530615605 /nfs/dbraw/zinc/61/56/05/530615605.db2.gz QKRVCEIUTSFAGG-FRRDWIJNSA-N -1 3 387.483 0.723 20 30 GCEDHM COC(C)(C)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000577747449 530624639 /nfs/dbraw/zinc/62/46/39/530624639.db2.gz YLXYMHFWIJSEFL-UHFFFAOYSA-N -1 3 387.483 0.724 20 30 GCEDHM N#CCC1(O)CN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000331600048 530634731 /nfs/dbraw/zinc/63/47/31/530634731.db2.gz NTTXSOFPPPIOKH-UHFFFAOYSA-N -1 3 394.272 0.276 20 30 GCEDHM CC[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-][C@@H](C)C#N)C[C@H]1O ZINC000349450716 530636056 /nfs/dbraw/zinc/63/60/56/530636056.db2.gz MFPPGCGAWVGEPQ-RWMBFGLXSA-N -1 3 387.483 0.268 20 30 GCEDHM C[C@@H]1[C@@H](C)N(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CCN1C ZINC000349453876 530637135 /nfs/dbraw/zinc/63/71/35/530637135.db2.gz PCJVWKQKYBKNIM-CHWSQXEVSA-N -1 3 386.499 0.202 20 30 GCEDHM COCCC1(C)CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C1 ZINC000349458964 530638935 /nfs/dbraw/zinc/63/89/35/530638935.db2.gz UDTXXARPAZATEB-UHFFFAOYSA-N -1 3 387.483 0.536 20 30 GCEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@](C)(F)C1 ZINC000349461616 530640350 /nfs/dbraw/zinc/64/03/50/530640350.db2.gz KGFUHTWLRFJCJW-JSGCOSHPSA-N -1 3 383.511 0.998 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCO[C@H](C)C1 ZINC000349464777 530641430 /nfs/dbraw/zinc/64/14/30/530641430.db2.gz CFPRMWFOLRQLLO-QWHCGFSZSA-N -1 3 387.483 0.676 20 30 GCEDHM C[C@H](CC#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349466053 530642175 /nfs/dbraw/zinc/64/21/75/530642175.db2.gz FKRUOZNUODUZDM-GFCCVEGCSA-N -1 3 382.467 0.944 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000349466888 530642739 /nfs/dbraw/zinc/64/27/39/530642739.db2.gz RGSLRIUKRPDAGC-KFWWJZLASA-N -1 3 394.563 0.198 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000349466893 530642754 /nfs/dbraw/zinc/64/27/54/530642754.db2.gz RGSLRIUKRPDAGC-SOUVJXGZSA-N -1 3 394.563 0.198 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000349466894 530642813 /nfs/dbraw/zinc/64/28/13/530642813.db2.gz RGSLRIUKRPDAGC-ZNMIVQPWSA-N -1 3 394.563 0.198 20 30 GCEDHM CN(C[C@@H]1CCCCO1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349466785 530642841 /nfs/dbraw/zinc/64/28/41/530642841.db2.gz FWRCTYUQJWKQCF-ZDUSSCGKSA-N -1 3 387.483 0.678 20 30 GCEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](O)C1 ZINC000349466811 530642971 /nfs/dbraw/zinc/64/29/71/530642971.db2.gz GDTUBQPLYLZUFS-STQMWFEESA-N -1 3 387.483 0.412 20 30 GCEDHM N#CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)NC[C@@H]2CCCO2)CC1 ZINC000577192490 530618192 /nfs/dbraw/zinc/61/81/92/530618192.db2.gz NELJAJYZQOWZPN-LBPRGKRZSA-N -1 3 385.467 0.478 20 30 GCEDHM C=CCC[C@@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)OCC ZINC000456625769 530620095 /nfs/dbraw/zinc/62/00/95/530620095.db2.gz KIMPUSRIPAWFKM-SNVBAGLBSA-N -1 3 388.218 0.726 20 30 GCEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCOC1 ZINC000349476636 530647636 /nfs/dbraw/zinc/64/76/36/530647636.db2.gz CIYTZQHZUFDJLR-CQSZACIVSA-N -1 3 387.483 0.882 20 30 GCEDHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CCC2)cn1 ZINC000349540655 530682600 /nfs/dbraw/zinc/68/26/00/530682600.db2.gz JZPFKZNXDCJDPI-UHFFFAOYSA-N -1 3 387.487 0.530 20 30 GCEDHM CN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C(C)(C)C1 ZINC000349477988 530648160 /nfs/dbraw/zinc/64/81/60/530648160.db2.gz GEMUTZBBUKGMPI-UHFFFAOYSA-N -1 3 386.499 0.203 20 30 GCEDHM CS[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)C1 ZINC000349490234 530654806 /nfs/dbraw/zinc/65/48/06/530654806.db2.gz GPUCUIUVUXUVJI-OCCSQVGLSA-N -1 3 395.572 0.755 20 30 GCEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)C1 ZINC000349498154 530658648 /nfs/dbraw/zinc/65/86/48/530658648.db2.gz BTRROGCOGURZMB-ZIAGYGMSSA-N -1 3 379.504 0.388 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCOCC1 ZINC000349527343 530673785 /nfs/dbraw/zinc/67/37/85/530673785.db2.gz VLCJYVBDHJJVLW-AWEZNQCLSA-N -1 3 379.504 0.040 20 30 GCEDHM COC1(C)CN(S(=O)(=O)CCCS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)C1 ZINC000349530802 530675223 /nfs/dbraw/zinc/67/52/23/530675223.db2.gz ZELYREOKGJWCSS-AWEZNQCLSA-N -1 3 379.504 0.039 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCSC1 ZINC000349547215 530685460 /nfs/dbraw/zinc/68/54/60/530685460.db2.gz CSDURRYRUJRHNS-WCQYABFASA-N -1 3 381.545 0.413 20 30 GCEDHM N#C[C@H]1CC[C@@H](NS(=O)(=O)CCCCS(=O)(=O)[N-]c2ccnnc2)C1 ZINC000349568312 530697740 /nfs/dbraw/zinc/69/77/40/530697740.db2.gz SKOWQXHRRODVAJ-QWHCGFSZSA-N -1 3 387.487 0.610 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCC[C@H]1F ZINC000349572229 530699580 /nfs/dbraw/zinc/69/95/80/530699580.db2.gz KBUGMSZKCQCRJU-MBNYWOFBSA-N -1 3 381.495 0.798 20 30 GCEDHM C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)CS1 ZINC000349575736 530701762 /nfs/dbraw/zinc/70/17/62/530701762.db2.gz OQIXPOFESWRGRU-YRGRVCCFSA-N -1 3 395.572 0.802 20 30 GCEDHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N ZINC000579140450 530739340 /nfs/dbraw/zinc/73/93/40/530739340.db2.gz DKPPMHKUKFAANB-RYUDHWBXSA-N -1 3 375.472 0.532 20 30 GCEDHM CC[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N)[C@H](C)O ZINC000579376258 530742042 /nfs/dbraw/zinc/74/20/42/530742042.db2.gz KJYJXGLDGVJFBT-RYUDHWBXSA-N -1 3 375.472 0.268 20 30 GCEDHM C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(SCCO)[n-]2)c1 ZINC000475440776 530725161 /nfs/dbraw/zinc/72/51/61/530725161.db2.gz INMINBMCONFWPU-UHFFFAOYSA-N -1 3 383.455 0.606 20 30 GCEDHM C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(SCCO)n[n-]2)c1 ZINC000475440776 530725162 /nfs/dbraw/zinc/72/51/62/530725162.db2.gz INMINBMCONFWPU-UHFFFAOYSA-N -1 3 383.455 0.606 20 30 GCEDHM C=CCNS(=O)(=O)c1cccc(C(=O)Nc2n[n-]c(SCCO)n2)c1 ZINC000475440776 530725164 /nfs/dbraw/zinc/72/51/64/530725164.db2.gz INMINBMCONFWPU-UHFFFAOYSA-N -1 3 383.455 0.606 20 30 GCEDHM COC(C)(C)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000581954927 530769360 /nfs/dbraw/zinc/76/93/60/530769360.db2.gz PQMYAVFZILIFGJ-NSHDSACASA-N -1 3 375.472 0.580 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCCOCC1 ZINC000581954896 530769477 /nfs/dbraw/zinc/76/94/77/530769477.db2.gz OCBJQVJFGXWDPU-STQMWFEESA-N -1 3 387.483 0.724 20 30 GCEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)OC ZINC000481585913 530779385 /nfs/dbraw/zinc/77/93/85/530779385.db2.gz JHALSRHKURAZRD-GFCCVEGCSA-N -1 3 395.430 0.252 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(S(N)(=O)=O)cc2)c(F)c1 ZINC000610081508 530765964 /nfs/dbraw/zinc/76/59/64/530765964.db2.gz BZXQKSMYJONTMY-UHFFFAOYSA-N -1 3 383.426 0.866 20 30 GCEDHM N#Cc1cccc(CCNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c1 ZINC000554584082 530817241 /nfs/dbraw/zinc/81/72/41/530817241.db2.gz DROZCANWFTZHJM-UHFFFAOYSA-N -1 3 377.198 0.942 20 30 GCEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1)C(=O)OC ZINC000619506476 530818404 /nfs/dbraw/zinc/81/84/04/530818404.db2.gz LZGSNGTYFQIJLV-PWSUYJOCSA-N -1 3 390.483 0.968 20 30 GCEDHM CS(=O)(=O)NCCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416373069 530846475 /nfs/dbraw/zinc/84/64/75/530846475.db2.gz PHFQOCOUGVQPHQ-UHFFFAOYSA-N -1 3 396.288 0.538 20 30 GCEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H](O)[C@@H]1CCOC1 ZINC000416464601 530846546 /nfs/dbraw/zinc/84/65/46/530846546.db2.gz XKAZXPJVASOVDS-ZYHUDNBSSA-N -1 3 375.244 0.996 20 30 GCEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CC[C@@H](C(N)=O)O1 ZINC000416426627 530846749 /nfs/dbraw/zinc/84/67/49/530846749.db2.gz KJAQRCBRYAWUNY-MNOVXSKESA-N -1 3 388.243 0.632 20 30 GCEDHM CN(C)C(=O)NCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416453566 530847026 /nfs/dbraw/zinc/84/70/26/530847026.db2.gz RAUMJRZXCBMXCC-UHFFFAOYSA-N -1 3 375.248 0.870 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)C(C)(C)C1 ZINC000349459885 530874356 /nfs/dbraw/zinc/87/43/56/530874356.db2.gz HYRGROVBIRJJDN-SWLSCSKDSA-N -1 3 393.531 0.021 20 30 GCEDHM C[C@H](C#N)CN(C)S(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000499673750 530855683 /nfs/dbraw/zinc/85/56/83/530855683.db2.gz GTMNMZAAPSLHRR-SNVBAGLBSA-N -1 3 396.441 0.169 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(S(N)(=O)=O)s2)c(F)c1 ZINC000523567714 530857503 /nfs/dbraw/zinc/85/75/03/530857503.db2.gz GHCBCPDTTCRZQX-UHFFFAOYSA-N -1 3 375.428 0.885 20 30 GCEDHM CSC[C@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000583034109 530858151 /nfs/dbraw/zinc/85/81/51/530858151.db2.gz DAJTYVRFJGVGDA-QWRGUYRKSA-N -1 3 377.513 0.907 20 30 GCEDHM CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N ZINC000583155484 530861341 /nfs/dbraw/zinc/86/13/41/530861341.db2.gz UCCLVEIBISMELL-HNNXBMFYSA-N -1 3 389.499 0.516 20 30 GCEDHM CN(CC(F)F)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349446854 530873283 /nfs/dbraw/zinc/87/32/83/530873283.db2.gz AZZPWJGKNOCXKX-UHFFFAOYSA-N -1 3 379.410 0.907 20 30 GCEDHM CS(=O)(=O)N[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000531802959 530897824 /nfs/dbraw/zinc/89/78/24/530897824.db2.gz MBYGTIKTFCBPQH-AAEUAGOBSA-N -1 3 375.447 0.694 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCCS(=O)(=O)N1CC[C@@H](F)C1 ZINC000349591539 530898385 /nfs/dbraw/zinc/89/83/85/530898385.db2.gz ODAAFCGDWLHHSQ-TZMCWYRMSA-N -1 3 381.495 0.752 20 30 GCEDHM CC(C)(C)OC(=O)N1CC([N-]S(=O)(=O)c2ccc(C#N)s2)(C(N)=O)C1 ZINC000376351360 530898693 /nfs/dbraw/zinc/89/86/93/530898693.db2.gz SRBFCUBLVMKJTA-UHFFFAOYSA-N -1 3 386.455 0.373 20 30 GCEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCC[C@]23NC(=O)NC3=O)c1 ZINC000274908718 530905658 /nfs/dbraw/zinc/90/56/58/530905658.db2.gz WYMJDNDCOMJBLT-BMIGLBTASA-N -1 3 382.829 0.868 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CC[C@@H](F)C1 ZINC000349560166 530906228 /nfs/dbraw/zinc/90/62/28/530906228.db2.gz YGLYECKGFVPZEU-YRGRVCCFSA-N -1 3 381.495 0.798 20 30 GCEDHM C[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2(C#N)CC2)C[C@@H]1O ZINC000349482456 530877533 /nfs/dbraw/zinc/87/75/33/530877533.db2.gz RTMMXQWDYPEDOG-RYUDHWBXSA-N -1 3 385.467 0.022 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@](F)(C#N)C1 ZINC000349486227 530878943 /nfs/dbraw/zinc/87/89/43/530878943.db2.gz BOUICGSSPKUERF-KBPBESRZSA-N -1 3 392.478 0.256 20 30 GCEDHM C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)[C@@H]1CO ZINC000349491538 530880067 /nfs/dbraw/zinc/88/00/67/530880067.db2.gz JENACJYTKBENBC-UMVBOHGHSA-N -1 3 393.531 0.021 20 30 GCEDHM COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)C1 ZINC000349494478 530880497 /nfs/dbraw/zinc/88/04/97/530880497.db2.gz CQJWEJXLNCURSZ-UKRRQHHQSA-N -1 3 393.531 0.429 20 30 GCEDHM C[C@H](O)[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)C1 ZINC000349501775 530883093 /nfs/dbraw/zinc/88/30/93/530883093.db2.gz NFCYIKHLDCRRIU-GUTXKFCHSA-N -1 3 393.531 0.021 20 30 GCEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)C1 ZINC000349508664 530885353 /nfs/dbraw/zinc/88/53/53/530885353.db2.gz XFBSQLLGFNNJQM-DZGCQCFKSA-N -1 3 388.515 0.554 20 30 GCEDHM N#Cc1ncn(CC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)n1 ZINC000442981446 530887759 /nfs/dbraw/zinc/88/77/59/530887759.db2.gz UOKCXOIHYFCKRY-UHFFFAOYSA-N -1 3 386.796 0.037 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCO[C@@H](C)C1 ZINC000349520231 530888944 /nfs/dbraw/zinc/88/89/44/530888944.db2.gz JIUJFSJGFZZMBR-UONOGXRCSA-N -1 3 381.520 0.285 20 30 GCEDHM CN(C[C@H]1CCCOC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349465413 530890134 /nfs/dbraw/zinc/89/01/34/530890134.db2.gz DGYVREXOTQAYSW-CYBMUJFWSA-N -1 3 387.483 0.536 20 30 GCEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](O)C1 ZINC000349466808 530890413 /nfs/dbraw/zinc/89/04/13/530890413.db2.gz GDTUBQPLYLZUFS-CHWSQXEVSA-N -1 3 387.483 0.412 20 30 GCEDHM COC[C@H](C)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349469926 530891142 /nfs/dbraw/zinc/89/11/42/530891142.db2.gz LNUDVUWXKBQXLK-LBPRGKRZSA-N -1 3 387.483 0.676 20 30 GCEDHM CN([C@@H]1CCC[C@H]1O)S(=O)(=O)CCCS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000349525683 530892341 /nfs/dbraw/zinc/89/23/41/530892341.db2.gz PCQABIDIUMMCOM-UMVBOHGHSA-N -1 3 393.531 0.163 20 30 GCEDHM CNS(=O)(=O)c1ccc([C@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428247534 530896667 /nfs/dbraw/zinc/89/66/67/530896667.db2.gz JYWMNDXIZCORIT-NSHDSACASA-N -1 3 380.451 0.901 20 30 GCEDHM CC(C)CS(=O)(=O)N1CCC([N-]S(=O)(=O)c2cccnc2C#N)CC1 ZINC000277130713 530913046 /nfs/dbraw/zinc/91/30/46/530913046.db2.gz JEYAEKLTXODPSJ-UHFFFAOYSA-N -1 3 386.499 0.682 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCCCS(N)(=O)=O ZINC000292867170 530928746 /nfs/dbraw/zinc/92/87/46/530928746.db2.gz SBTIDEMRLOXROD-UHFFFAOYSA-N -1 3 396.288 0.668 20 30 GCEDHM COCCN(CCC#N)S(=O)(=O)[N-][C@H](C)c1ncc(C(=O)OC)s1 ZINC000425203903 530943976 /nfs/dbraw/zinc/94/39/76/530943976.db2.gz MMOBARVFEXMLRA-SNVBAGLBSA-N -1 3 376.460 0.687 20 30 GCEDHM N#CCCCCS(=O)(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000522630780 530978061 /nfs/dbraw/zinc/97/80/61/530978061.db2.gz ZQJHEQCHNBXZAD-UHFFFAOYSA-N -1 3 390.443 0.486 20 30 GCEDHM C[C@H](CO)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000516981810 530986238 /nfs/dbraw/zinc/98/62/38/530986238.db2.gz WIDVCQQOAFICNC-LLVKDONJSA-N -1 3 375.472 0.268 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000272930332 531007095 /nfs/dbraw/zinc/00/70/95/531007095.db2.gz HCCVGFFQOBDVDC-UHFFFAOYSA-N -1 3 381.501 0.056 20 30 GCEDHM C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273639541 531007390 /nfs/dbraw/zinc/00/73/90/531007390.db2.gz XXWPISGHPCZUIX-UHFFFAOYSA-N -1 3 392.411 0.261 20 30 GCEDHM C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000272869432 531007577 /nfs/dbraw/zinc/00/75/77/531007577.db2.gz SHHBOFDALIPPSX-UHFFFAOYSA-N -1 3 385.460 0.108 20 30 GCEDHM C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000276294062 531008742 /nfs/dbraw/zinc/00/87/42/531008742.db2.gz ZHARIUAIFYTLHY-UHFFFAOYSA-N -1 3 396.512 0.526 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2CCS(=O)(=O)CC2)ccc1F ZINC000266938060 531004216 /nfs/dbraw/zinc/00/42/16/531004216.db2.gz PENNZZRIHZPVDC-UHFFFAOYSA-N -1 3 390.458 0.597 20 30 GCEDHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 ZINC000542693707 531067951 /nfs/dbraw/zinc/06/79/51/531067951.db2.gz SISJBOHRSSQKHV-NSHDSACASA-N -1 3 382.529 0.445 20 30 GCEDHM COC[C@@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000515312572 531088040 /nfs/dbraw/zinc/08/80/40/531088040.db2.gz MBZUFCBXAOMDNM-LLVKDONJSA-N -1 3 375.472 0.580 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000515500383 531090224 /nfs/dbraw/zinc/09/02/24/531090224.db2.gz UFZRTCMIWBHXJV-XQQFMLRXSA-N -1 3 385.467 0.334 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(CS(C)(=O)=O)no2)ccc1F ZINC000546231363 531090654 /nfs/dbraw/zinc/09/06/54/531090654.db2.gz DFWGCUGVXSFFAI-UHFFFAOYSA-N -1 3 375.403 0.885 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CCO1 ZINC000548832373 531123616 /nfs/dbraw/zinc/12/36/16/531123616.db2.gz PZZJNXLGUCZCRU-UONOGXRCSA-N -1 3 384.845 0.504 20 30 GCEDHM C[C@@]1(CO)CCC[C@@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000565231560 531182017 /nfs/dbraw/zinc/18/20/17/531182017.db2.gz SMCLMQXSCVMWIL-GJZGRUSLSA-N -1 3 387.483 0.318 20 30 GCEDHM C=CC[C@@H](CO)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000442592373 531187813 /nfs/dbraw/zinc/18/78/13/531187813.db2.gz GFLYDBYREDQQMS-LLVKDONJSA-N -1 3 377.413 0.727 20 30 GCEDHM C[C@@H](CO)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000566020128 531193075 /nfs/dbraw/zinc/19/30/75/531193075.db2.gz FBUWPRSFGJIYHM-XHDPSFHLSA-N -1 3 387.483 0.316 20 30 GCEDHM C=CCNC(=O)CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000565982103 531193261 /nfs/dbraw/zinc/19/32/61/531193261.db2.gz ARQNZFRYNPXUAL-UHFFFAOYSA-N -1 3 380.253 0.690 20 30 GCEDHM C#CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735375744 598823998 /nfs/dbraw/zinc/82/39/98/598823998.db2.gz QTNDCCRICXQBCD-UHFFFAOYSA-N -1 3 388.453 0.407 20 30 GCEDHM C#CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735375744 598823999 /nfs/dbraw/zinc/82/39/99/598823999.db2.gz QTNDCCRICXQBCD-UHFFFAOYSA-N -1 3 388.453 0.407 20 30 GCEDHM CCC[C@@H](C#N)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736414933 598867075 /nfs/dbraw/zinc/86/70/75/598867075.db2.gz AZIDGSHMGNJKNR-JSGCOSHPSA-N -1 3 396.411 0.880 20 30 GCEDHM CCC[C@@H](C#N)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736414933 598867077 /nfs/dbraw/zinc/86/70/77/598867077.db2.gz AZIDGSHMGNJKNR-JSGCOSHPSA-N -1 3 396.411 0.880 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)NCCNc2ncccc2-c2nnn[n-]2)c(F)c1 ZINC000737722385 598872507 /nfs/dbraw/zinc/87/25/07/598872507.db2.gz IMWRSMVTJLTBTG-UHFFFAOYSA-N -1 3 388.388 0.663 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)NCCNc2ncccc2-c2nn[n-]n2)c(F)c1 ZINC000737722385 598872509 /nfs/dbraw/zinc/87/25/09/598872509.db2.gz IMWRSMVTJLTBTG-UHFFFAOYSA-N -1 3 388.388 0.663 20 30 GCEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000736814664 598894608 /nfs/dbraw/zinc/89/46/08/598894608.db2.gz RWRVWROQQJTXJL-VLGSPTGOSA-N -1 3 381.396 0.742 20 30 GCEDHM N#Cc1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1-c1nnn[n-]1 ZINC000737716297 598915445 /nfs/dbraw/zinc/91/54/45/598915445.db2.gz OSYLJZPKSDOHLX-UHFFFAOYSA-N -1 3 394.395 0.932 20 30 GCEDHM N#Cc1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1-c1nn[n-]n1 ZINC000737716297 598915447 /nfs/dbraw/zinc/91/54/47/598915447.db2.gz OSYLJZPKSDOHLX-UHFFFAOYSA-N -1 3 394.395 0.932 20 30 GCEDHM N#Cc1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1-c1nnn[n-]1 ZINC000737719777 598917784 /nfs/dbraw/zinc/91/77/84/598917784.db2.gz XFPNZSSXUMJLEG-UHFFFAOYSA-N -1 3 396.392 0.174 20 30 GCEDHM N#Cc1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1-c1nn[n-]n1 ZINC000737719777 598917787 /nfs/dbraw/zinc/91/77/87/598917787.db2.gz XFPNZSSXUMJLEG-UHFFFAOYSA-N -1 3 396.392 0.174 20 30 GCEDHM N#Cc1cc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)ccc1-c1nnn[n-]1 ZINC000737710177 598922116 /nfs/dbraw/zinc/92/21/16/598922116.db2.gz UYOFABFTTLYYDS-UHFFFAOYSA-N -1 3 380.368 0.541 20 30 GCEDHM N#Cc1cc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)ccc1-c1nn[n-]n1 ZINC000737710177 598922118 /nfs/dbraw/zinc/92/21/18/598922118.db2.gz UYOFABFTTLYYDS-UHFFFAOYSA-N -1 3 380.368 0.541 20 30 GCEDHM CN(CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)S(=O)(=O)c1ccccc1 ZINC000736786631 598922406 /nfs/dbraw/zinc/92/24/06/598922406.db2.gz AXRAHKNATODIJV-UHFFFAOYSA-N -1 3 397.420 0.998 20 30 GCEDHM CN(CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)S(=O)(=O)c1ccccc1 ZINC000736786631 598922408 /nfs/dbraw/zinc/92/24/08/598922408.db2.gz AXRAHKNATODIJV-UHFFFAOYSA-N -1 3 397.420 0.998 20 30 GCEDHM Cc1ccc(C#N)cc1S(=O)(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737307405 598952202 /nfs/dbraw/zinc/95/22/02/598952202.db2.gz XGWOOUNVPALRQF-UHFFFAOYSA-N -1 3 384.425 0.832 20 30 GCEDHM Cc1ccc(C#N)cc1S(=O)(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737307405 598952204 /nfs/dbraw/zinc/95/22/04/598952204.db2.gz XGWOOUNVPALRQF-UHFFFAOYSA-N -1 3 384.425 0.832 20 30 GCEDHM C#CCNC(=O)CN1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000735380787 598968563 /nfs/dbraw/zinc/96/85/63/598968563.db2.gz IXVINFORQDLMRQ-UHFFFAOYSA-N -1 3 391.439 0.071 20 30 GCEDHM C#CCNC(=O)CN1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000735380787 598968565 /nfs/dbraw/zinc/96/85/65/598968565.db2.gz IXVINFORQDLMRQ-UHFFFAOYSA-N -1 3 391.439 0.071 20 30 GCEDHM N#Cc1cccnc1N1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737727022 599068347 /nfs/dbraw/zinc/06/83/47/599068347.db2.gz BSEABAGPDMTHRD-INIZCTEOSA-N -1 3 389.423 0.482 20 30 GCEDHM N#Cc1cccnc1N1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737727022 599068350 /nfs/dbraw/zinc/06/83/50/599068350.db2.gz BSEABAGPDMTHRD-INIZCTEOSA-N -1 3 389.423 0.482 20 30 GCEDHM C#Cc1cccc(NC(=O)CN(C)[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735391415 599069135 /nfs/dbraw/zinc/06/91/35/599069135.db2.gz SOWAGUYYJMJHCF-GOSISDBHSA-N -1 3 389.419 0.945 20 30 GCEDHM C#Cc1cccc(NC(=O)CN(C)[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735391415 599069138 /nfs/dbraw/zinc/06/91/38/599069138.db2.gz SOWAGUYYJMJHCF-GOSISDBHSA-N -1 3 389.419 0.945 20 30 GCEDHM Cc1cc(N2CC[C@H](Sc3nc(N)c(C#N)cc3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000822207200 599124189 /nfs/dbraw/zinc/12/41/89/599124189.db2.gz OAFSICKYGZQMDT-NSHDSACASA-N -1 3 396.440 0.655 20 30 GCEDHM Cc1cc(N2CC[C@H](Sc3nc(N)c(C#N)cc3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000822207200 599124190 /nfs/dbraw/zinc/12/41/90/599124190.db2.gz OAFSICKYGZQMDT-NSHDSACASA-N -1 3 396.440 0.655 20 30 GCEDHM N#Cc1cc(NC(=O)CCCS(=O)(=O)N2CCCC2)ccc1-c1nnn[n-]1 ZINC000737703385 599198219 /nfs/dbraw/zinc/19/82/19/599198219.db2.gz BKUZEKRKRZLZAM-UHFFFAOYSA-N -1 3 389.441 0.883 20 30 GCEDHM N#Cc1cc(NC(=O)CCCS(=O)(=O)N2CCCC2)ccc1-c1nn[n-]n1 ZINC000737703385 599198221 /nfs/dbraw/zinc/19/82/21/599198221.db2.gz BKUZEKRKRZLZAM-UHFFFAOYSA-N -1 3 389.441 0.883 20 30 GCEDHM CCn1c(=O)c(=Cc2ccc(OC)c(-c3nnn[n-]3)c2)sc1=C(C#N)C#N ZINC000736714106 599251021 /nfs/dbraw/zinc/25/10/21/599251021.db2.gz SBGCIFPOSZOWPC-UHFFFAOYSA-N -1 3 379.405 0.145 20 30 GCEDHM CCn1c(=O)c(=Cc2ccc(OC)c(-c3nn[n-]n3)c2)sc1=C(C#N)C#N ZINC000736714106 599251023 /nfs/dbraw/zinc/25/10/23/599251023.db2.gz SBGCIFPOSZOWPC-UHFFFAOYSA-N -1 3 379.405 0.145 20 30 GCEDHM N#Cc1ccc(NC(=O)C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c(F)c1 ZINC000822829913 607333682 /nfs/dbraw/zinc/33/36/82/607333682.db2.gz OVGJKMGJCOFGBO-UHFFFAOYSA-N -1 3 395.358 0.439 20 30 GCEDHM N#Cc1ccc(NC(=O)C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c(F)c1 ZINC000822829913 607333683 /nfs/dbraw/zinc/33/36/83/607333683.db2.gz OVGJKMGJCOFGBO-UHFFFAOYSA-N -1 3 395.358 0.439 20 30 GCEDHM CN(CCC#N)S(=O)(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736789888 598272131 /nfs/dbraw/zinc/27/21/31/598272131.db2.gz CRLZCPVLGASJGN-UHFFFAOYSA-N -1 3 376.446 0.079 20 30 GCEDHM CN(CCC#N)S(=O)(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736789888 598272133 /nfs/dbraw/zinc/27/21/33/598272133.db2.gz CRLZCPVLGASJGN-UHFFFAOYSA-N -1 3 376.446 0.079 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)cn1 ZINC000737723095 598272651 /nfs/dbraw/zinc/27/26/51/598272651.db2.gz PGXPBJYENVEFCQ-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)cn1 ZINC000737723095 598272653 /nfs/dbraw/zinc/27/26/53/598272653.db2.gz PGXPBJYENVEFCQ-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM CC(C)NC(=O)NC(=O)[C@@H](C)Sc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000735887522 598273538 /nfs/dbraw/zinc/27/35/38/598273538.db2.gz AXBRFSCDARYMNB-SSDOTTSWSA-N -1 3 375.418 0.430 20 30 GCEDHM CC(C)NC(=O)NC(=O)[C@@H](C)Sc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000735887522 598273540 /nfs/dbraw/zinc/27/35/40/598273540.db2.gz AXBRFSCDARYMNB-SSDOTTSWSA-N -1 3 375.418 0.430 20 30 GCEDHM CC(C)NC(=O)NC(=O)[C@H](C)Sc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000735887523 598273591 /nfs/dbraw/zinc/27/35/91/598273591.db2.gz AXBRFSCDARYMNB-ZETCQYMHSA-N -1 3 375.418 0.430 20 30 GCEDHM CC(C)NC(=O)NC(=O)[C@H](C)Sc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000735887523 598273592 /nfs/dbraw/zinc/27/35/92/598273592.db2.gz AXBRFSCDARYMNB-ZETCQYMHSA-N -1 3 375.418 0.430 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)C1=O ZINC000735426654 598290244 /nfs/dbraw/zinc/29/02/44/598290244.db2.gz UGECCSAPFVXFFM-UHFFFAOYSA-N -1 3 388.315 0.026 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)C1=O ZINC000735426654 598290246 /nfs/dbraw/zinc/29/02/46/598290246.db2.gz UGECCSAPFVXFFM-UHFFFAOYSA-N -1 3 388.315 0.026 20 30 GCEDHM N#CCCN(CCC#N)CN1CC(=O)N(Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000737686005 598335142 /nfs/dbraw/zinc/33/51/42/598335142.db2.gz GSMCAHBYANLJHQ-UHFFFAOYSA-N -1 3 393.411 0.718 20 30 GCEDHM N#CCCN(CCC#N)CN1CC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000737686005 598335144 /nfs/dbraw/zinc/33/51/44/598335144.db2.gz GSMCAHBYANLJHQ-UHFFFAOYSA-N -1 3 393.411 0.718 20 30 GCEDHM N#Cc1ccc(NCCNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000737720204 598401962 /nfs/dbraw/zinc/40/19/62/598401962.db2.gz ZQLWESUCBFUAMN-UHFFFAOYSA-N -1 3 391.395 0.091 20 30 GCEDHM N#Cc1ccc(NCCNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000737720204 598401963 /nfs/dbraw/zinc/40/19/63/598401963.db2.gz ZQLWESUCBFUAMN-UHFFFAOYSA-N -1 3 391.395 0.091 20 30 GCEDHM C=CCN(CC=C)C(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735419537 598409512 /nfs/dbraw/zinc/40/95/12/598409512.db2.gz UQTNHHDSLVEEMZ-ZDUSSCGKSA-N -1 3 398.423 0.729 20 30 GCEDHM C=CCN(CC=C)C(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735419537 598409514 /nfs/dbraw/zinc/40/95/14/598409514.db2.gz UQTNHHDSLVEEMZ-ZDUSSCGKSA-N -1 3 398.423 0.729 20 30 GCEDHM N#C[C@@]1(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CCSC1 ZINC000737678662 598436801 /nfs/dbraw/zinc/43/68/01/598436801.db2.gz LIEBBRAZXJDIMJ-INIZCTEOSA-N -1 3 381.425 0.764 20 30 GCEDHM N#C[C@@]1(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CCSC1 ZINC000737678662 598436803 /nfs/dbraw/zinc/43/68/03/598436803.db2.gz LIEBBRAZXJDIMJ-INIZCTEOSA-N -1 3 381.425 0.764 20 30 GCEDHM C#CCN(CCC(=O)Nc1sccc1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000735374336 598538580 /nfs/dbraw/zinc/53/85/80/598538580.db2.gz IBSFUDOSFFXNLP-LLVKDONJSA-N -1 3 394.482 0.379 20 30 GCEDHM C#CCN(CCC(=O)Nc1sccc1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000735374336 598538582 /nfs/dbraw/zinc/53/85/82/598538582.db2.gz IBSFUDOSFFXNLP-LLVKDONJSA-N -1 3 394.482 0.379 20 30 GCEDHM C=CCN(C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000735416587 598538617 /nfs/dbraw/zinc/53/86/17/598538617.db2.gz NQBJLGCNBVDOQT-CABCVRRESA-N -1 3 393.469 0.282 20 30 GCEDHM C=CCN(CC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000735415966 598538666 /nfs/dbraw/zinc/53/86/66/598538666.db2.gz BJQOHGMVTUQLBH-CQSZACIVSA-N -1 3 376.442 0.480 20 30 GCEDHM C=CCN(CC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000735415966 598538668 /nfs/dbraw/zinc/53/86/68/598538668.db2.gz BJQOHGMVTUQLBH-CQSZACIVSA-N -1 3 376.442 0.480 20 30 GCEDHM C=CCN(C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000735416592 598538677 /nfs/dbraw/zinc/53/86/77/598538677.db2.gz NQBJLGCNBVDOQT-HUUCEWRRSA-N -1 3 393.469 0.282 20 30 GCEDHM C=CCN(CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000735416415 598538724 /nfs/dbraw/zinc/53/87/24/598538724.db2.gz JIGHIXBCNBJQCZ-AWEZNQCLSA-N -1 3 376.442 0.480 20 30 GCEDHM C=CCN(CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000735416415 598538726 /nfs/dbraw/zinc/53/87/26/598538726.db2.gz JIGHIXBCNBJQCZ-AWEZNQCLSA-N -1 3 376.442 0.480 20 30 GCEDHM C#CCN(CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000735374628 598538760 /nfs/dbraw/zinc/53/87/60/598538760.db2.gz KUCKKKYUAJMWJD-HNNXBMFYSA-N -1 3 388.453 0.318 20 30 GCEDHM C#CCN(CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000735374628 598538762 /nfs/dbraw/zinc/53/87/62/598538762.db2.gz KUCKKKYUAJMWJD-HNNXBMFYSA-N -1 3 388.453 0.318 20 30 GCEDHM Cc1nc(SCC(=O)OCC(=O)NCC#N)c(-c2nnn[n-]2)c(C)c1C ZINC000737481782 598541921 /nfs/dbraw/zinc/54/19/21/598541921.db2.gz AUCQWFNKEJWMTE-UHFFFAOYSA-N -1 3 375.414 0.462 20 30 GCEDHM Cc1nc(SCC(=O)OCC(=O)NCC#N)c(-c2nn[n-]n2)c(C)c1C ZINC000737481782 598541922 /nfs/dbraw/zinc/54/19/22/598541922.db2.gz AUCQWFNKEJWMTE-UHFFFAOYSA-N -1 3 375.414 0.462 20 30 GCEDHM N#Cc1cc(-c2nnn[n-]2)c(SCCCn2cnc3c2ncnc3N)nc1N ZINC000737705857 598569440 /nfs/dbraw/zinc/56/94/40/598569440.db2.gz RNHGKNMHGMFARX-UHFFFAOYSA-N -1 3 394.428 0.620 20 30 GCEDHM N#Cc1cc(-c2nn[n-]n2)c(SCCCn2cnc3c2ncnc3N)nc1N ZINC000737705857 598569442 /nfs/dbraw/zinc/56/94/42/598569442.db2.gz RNHGKNMHGMFARX-UHFFFAOYSA-N -1 3 394.428 0.620 20 30 GCEDHM N#CC1(C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)CCOCC1 ZINC000737677116 598582374 /nfs/dbraw/zinc/58/23/74/598582374.db2.gz ZNAHCOSEUPQGGO-UHFFFAOYSA-N -1 3 385.403 0.975 20 30 GCEDHM N#CC1(C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)CCOCC1 ZINC000737677116 598582375 /nfs/dbraw/zinc/58/23/75/598582375.db2.gz ZNAHCOSEUPQGGO-UHFFFAOYSA-N -1 3 385.403 0.975 20 30 GCEDHM CC(C)[C@@H](C#N)N1CCN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735690660 598619821 /nfs/dbraw/zinc/61/98/21/598619821.db2.gz LDZBLEPMZYSDNC-FUHWJXTLSA-N -1 3 385.472 0.772 20 30 GCEDHM C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735433006 598621002 /nfs/dbraw/zinc/62/10/02/598621002.db2.gz XZWQEBZJJZBCFQ-AWEZNQCLSA-N -1 3 399.411 0.391 20 30 GCEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000736170517 598624129 /nfs/dbraw/zinc/62/41/29/598624129.db2.gz QCVHWBABMAMFBO-KLIGIEKFSA-N -1 3 397.395 0.277 20 30 GCEDHM COC(=O)CCc1nc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)no1 ZINC000736918418 598640554 /nfs/dbraw/zinc/64/05/54/598640554.db2.gz BMGQXVKXBWUPRU-UHFFFAOYSA-N -1 3 387.385 0.496 20 30 GCEDHM COC(=O)CCc1nc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)no1 ZINC000736918418 598640555 /nfs/dbraw/zinc/64/05/55/598640555.db2.gz BMGQXVKXBWUPRU-UHFFFAOYSA-N -1 3 387.385 0.496 20 30 GCEDHM CCc1nn(Cc2cc(=O)n3ncc(-c4nnn[n-]4)c3[nH]2)c(=O)c(C#N)c1CC ZINC000736707734 598642547 /nfs/dbraw/zinc/64/25/47/598642547.db2.gz SKTNLCTZSLRHHS-UHFFFAOYSA-N -1 3 392.383 0.216 20 30 GCEDHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(C#N)cn1 ZINC000736020106 598692362 /nfs/dbraw/zinc/69/23/62/598692362.db2.gz MLYBVXRZFBBNOA-LLVKDONJSA-N -1 3 391.395 0.419 20 30 GCEDHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(C#N)cn1 ZINC000736020106 598692364 /nfs/dbraw/zinc/69/23/64/598692364.db2.gz MLYBVXRZFBBNOA-LLVKDONJSA-N -1 3 391.395 0.419 20 30 GCEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000736182899 598697170 /nfs/dbraw/zinc/69/71/70/598697170.db2.gz HJIJKNQVGAMADA-IRPICPOESA-N -1 3 397.395 0.277 20 30 GCEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000736182899 598697171 /nfs/dbraw/zinc/69/71/71/598697171.db2.gz HJIJKNQVGAMADA-IRPICPOESA-N -1 3 397.395 0.277 20 30 GCEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000736182898 598697249 /nfs/dbraw/zinc/69/72/49/598697249.db2.gz HJIJKNQVGAMADA-FOTIKMNESA-N -1 3 397.395 0.277 20 30 GCEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000736182898 598697251 /nfs/dbraw/zinc/69/72/51/598697251.db2.gz HJIJKNQVGAMADA-FOTIKMNESA-N -1 3 397.395 0.277 20 30 GCEDHM C[C@@H](NC(=O)NCCNC(=O)C1N=CC=CC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736119945 598728693 /nfs/dbraw/zinc/72/86/93/598728693.db2.gz XBZKROMMWIUZGV-WYFZMLARSA-N -1 3 396.411 0.753 20 30 GCEDHM C[C@@H](NC(=O)NCCNC(=O)C1N=CC=CC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736119943 598728955 /nfs/dbraw/zinc/72/89/55/598728955.db2.gz XBZKROMMWIUZGV-PTGFTAGUSA-N -1 3 396.411 0.753 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCN1C1CC1 ZINC000737679311 598757827 /nfs/dbraw/zinc/75/78/27/598757827.db2.gz PJVPXOGTENGTMF-LLVKDONJSA-N -1 3 393.860 0.881 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCN1C1CC1 ZINC000737679311 598757829 /nfs/dbraw/zinc/75/78/29/598757829.db2.gz PJVPXOGTENGTMF-LLVKDONJSA-N -1 3 393.860 0.881 20 30 GCEDHM N#C[C@H]1CN([C@@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCN1C1CC1 ZINC000737678585 598758020 /nfs/dbraw/zinc/75/80/20/598758020.db2.gz KKHZWFGSWQWSQP-JKSUJKDBSA-N -1 3 392.423 0.171 20 30 GCEDHM N#C[C@H]1CN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCN1C1CC1 ZINC000737678585 598758022 /nfs/dbraw/zinc/75/80/22/598758022.db2.gz KKHZWFGSWQWSQP-JKSUJKDBSA-N -1 3 392.423 0.171 20 30 GCEDHM C#CCN(CCC(=O)Nc1ccccc1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000735375328 598812496 /nfs/dbraw/zinc/81/24/96/598812496.db2.gz YBFIWNPKRXNQJI-ZDUSSCGKSA-N -1 3 388.453 0.318 20 30 GCEDHM C#CCN(CCC(=O)Nc1ccccc1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000735375328 598812498 /nfs/dbraw/zinc/81/24/98/598812498.db2.gz YBFIWNPKRXNQJI-ZDUSSCGKSA-N -1 3 388.453 0.318 20 30 GCEDHM N#Cc1ccc(OCCNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822833372 599469881 /nfs/dbraw/zinc/46/98/81/599469881.db2.gz PAEZZQIKAYLPMK-UHFFFAOYSA-N -1 3 391.391 0.663 20 30 GCEDHM N#Cc1ccc(OCCNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822833372 599469885 /nfs/dbraw/zinc/46/98/85/599469885.db2.gz PAEZZQIKAYLPMK-UHFFFAOYSA-N -1 3 391.391 0.663 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CCO1 ZINC000737681381 599594641 /nfs/dbraw/zinc/59/46/41/599594641.db2.gz DNDMBIYCIZHJOV-SECBINFHSA-N -1 3 388.331 0.799 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CCO1 ZINC000737681382 599594676 /nfs/dbraw/zinc/59/46/76/599594676.db2.gz DNDMBIYCIZHJOV-VIFPVBQESA-N -1 3 388.331 0.799 20 30 GCEDHM Cc1cccc(NC(=O)C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1C#N ZINC000822319249 599598988 /nfs/dbraw/zinc/59/89/88/599598988.db2.gz OYNRXIYQEKVQGL-UHFFFAOYSA-N -1 3 391.395 0.609 20 30 GCEDHM Cc1cccc(NC(=O)C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1C#N ZINC000822319249 599598990 /nfs/dbraw/zinc/59/89/90/599598990.db2.gz OYNRXIYQEKVQGL-UHFFFAOYSA-N -1 3 391.395 0.609 20 30 GCEDHM C#Cc1cccc(NC(=O)C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819710004 599611005 /nfs/dbraw/zinc/61/10/05/599611005.db2.gz VLHCPBVSZYUBSP-UHFFFAOYSA-N -1 3 376.376 0.982 20 30 GCEDHM C[C@@H](NC(=O)NCCNC(=O)C1N=CC=CC1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820365487 599674679 /nfs/dbraw/zinc/67/46/79/599674679.db2.gz JZRYBTYHETZREI-WYFZMLARSA-N -1 3 396.411 0.753 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000819744122 599698364 /nfs/dbraw/zinc/69/83/64/599698364.db2.gz XELSASFXNMQBFJ-UHFFFAOYSA-N -1 3 383.412 0.712 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000819744122 599698365 /nfs/dbraw/zinc/69/83/65/599698365.db2.gz XELSASFXNMQBFJ-UHFFFAOYSA-N -1 3 383.412 0.712 20 30 GCEDHM Cc1cccc(S(=O)(=O)NCCNc2ccc(C#N)cn2)c1-c1nnn[n-]1 ZINC000826303323 607587310 /nfs/dbraw/zinc/58/73/10/607587310.db2.gz KIYHDQCKIOZNNA-UHFFFAOYSA-N -1 3 384.425 0.832 20 30 GCEDHM Cc1cccc(S(=O)(=O)NCCNc2ccc(C#N)cn2)c1-c1nn[n-]n1 ZINC000826303323 607587312 /nfs/dbraw/zinc/58/73/12/607587312.db2.gz KIYHDQCKIOZNNA-UHFFFAOYSA-N -1 3 384.425 0.832 20 30 GCEDHM Cc1cccc(S(=O)(=O)NCCNc2ncccc2C#N)c1-c1nnn[n-]1 ZINC000826303399 607598084 /nfs/dbraw/zinc/59/80/84/607598084.db2.gz NKQVTYRGYDEYOF-UHFFFAOYSA-N -1 3 384.425 0.832 20 30 GCEDHM Cc1cccc(S(=O)(=O)NCCNc2ncccc2C#N)c1-c1nn[n-]n1 ZINC000826303399 607598086 /nfs/dbraw/zinc/59/80/86/607598086.db2.gz NKQVTYRGYDEYOF-UHFFFAOYSA-N -1 3 384.425 0.832 20 30 GCEDHM N#CCN1CCC(NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000826381888 607610228 /nfs/dbraw/zinc/61/02/28/607610228.db2.gz DGLQOKPDLSYUBK-UHFFFAOYSA-N -1 3 381.849 0.786 20 30 GCEDHM N#CCN1CCC(NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000826381888 607610229 /nfs/dbraw/zinc/61/02/29/607610229.db2.gz DGLQOKPDLSYUBK-UHFFFAOYSA-N -1 3 381.849 0.786 20 30 GCEDHM COC[C@](C)(CC(=O)[O-])NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000833721768 605058817 /nfs/dbraw/zinc/05/88/17/605058817.db2.gz GQIXZEXDKZQSJY-KDOFPFPSSA-N -1 3 394.497 0.926 20 30 GCEDHM CC(C)C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824235298 607734677 /nfs/dbraw/zinc/73/46/77/607734677.db2.gz FEZLKOKCKJQHEH-LBPRGKRZSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824235298 607734678 /nfs/dbraw/zinc/73/46/78/607734678.db2.gz FEZLKOKCKJQHEH-LBPRGKRZSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC000824191824 607736327 /nfs/dbraw/zinc/73/63/27/607736327.db2.gz GOLYQFRFOMLVAV-CQSZACIVSA-N -1 3 381.400 0.579 20 30 GCEDHM CC(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC000824191824 607736328 /nfs/dbraw/zinc/73/63/28/607736328.db2.gz GOLYQFRFOMLVAV-CQSZACIVSA-N -1 3 381.400 0.579 20 30 GCEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000822638040 606243790 /nfs/dbraw/zinc/24/37/90/606243790.db2.gz XFMNNMDZRQZIML-UHFFFAOYSA-N -1 3 377.412 0.871 20 30 GCEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000822638040 606243791 /nfs/dbraw/zinc/24/37/91/606243791.db2.gz XFMNNMDZRQZIML-UHFFFAOYSA-N -1 3 377.412 0.871 20 30 GCEDHM C=CCn1nnnc1S[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000819763773 606310153 /nfs/dbraw/zinc/31/01/53/606310153.db2.gz CXDNBKXZAPWICW-VIFPVBQESA-N -1 3 375.443 0.998 20 30 GCEDHM C=CCn1nnnc1S[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000819763773 606310154 /nfs/dbraw/zinc/31/01/54/606310154.db2.gz CXDNBKXZAPWICW-VIFPVBQESA-N -1 3 375.443 0.998 20 30 GCEDHM N#Cc1c[nH]c(C(=O)NCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)c1 ZINC000822819111 606318607 /nfs/dbraw/zinc/31/86/07/606318607.db2.gz KPQCQBSGJIEUKH-UHFFFAOYSA-N -1 3 379.384 0.429 20 30 GCEDHM N#Cc1c[nH]c(C(=O)NCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)c1 ZINC000822819111 606318608 /nfs/dbraw/zinc/31/86/08/606318608.db2.gz KPQCQBSGJIEUKH-UHFFFAOYSA-N -1 3 379.384 0.429 20 30 GCEDHM CCCCn1c(=O)c(=Cc2ccc(-c3nnn[n-]3)s2)sc1=C(C#N)C#N ZINC000821082980 606372069 /nfs/dbraw/zinc/37/20/69/606372069.db2.gz QZKXEWCEJFKYGF-UHFFFAOYSA-N -1 3 383.462 0.978 20 30 GCEDHM COC(=O)C1=C(C(=O)C2CC2)[C@H](c2ccc(-c3nnn[n-]3)s2)NC(=S)N1 ZINC000821653467 606395956 /nfs/dbraw/zinc/39/59/56/606395956.db2.gz BYBZKWYREMLSMT-JTQLQIEISA-N -1 3 390.450 0.853 20 30 GCEDHM C#CCN(CC#C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000819697578 606459143 /nfs/dbraw/zinc/45/91/43/606459143.db2.gz IFGFAQKFORSJRV-HNNXBMFYSA-N -1 3 391.391 0.167 20 30 GCEDHM C#CCN(CC#C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000819697578 606459144 /nfs/dbraw/zinc/45/91/44/606459144.db2.gz IFGFAQKFORSJRV-HNNXBMFYSA-N -1 3 391.391 0.167 20 30 GCEDHM C=CCN1C(=O)C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)C1=O ZINC000819750679 606588640 /nfs/dbraw/zinc/58/86/40/606588640.db2.gz JOZDCIQHHIFEJT-UHFFFAOYSA-N -1 3 378.295 0.945 20 30 GCEDHM C=CCN1C(=O)C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)C1=O ZINC000819750679 606588642 /nfs/dbraw/zinc/58/86/42/606588642.db2.gz JOZDCIQHHIFEJT-UHFFFAOYSA-N -1 3 378.295 0.945 20 30 GCEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000822627329 606641178 /nfs/dbraw/zinc/64/11/78/606641178.db2.gz LXJGSMIBCHRDCJ-LBPRGKRZSA-N -1 3 386.416 0.790 20 30 GCEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000822627329 606641179 /nfs/dbraw/zinc/64/11/79/606641179.db2.gz LXJGSMIBCHRDCJ-LBPRGKRZSA-N -1 3 386.416 0.790 20 30 GCEDHM N#Cc1cc(COC(=O)CS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000822818547 606648320 /nfs/dbraw/zinc/64/83/20/606648320.db2.gz CHMPFGWUGUYGTM-UHFFFAOYSA-N -1 3 398.404 0.792 20 30 GCEDHM N#Cc1cc(COC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000822818547 606648321 /nfs/dbraw/zinc/64/83/21/606648321.db2.gz CHMPFGWUGUYGTM-UHFFFAOYSA-N -1 3 398.404 0.792 20 30 GCEDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCC1CCN(CC#N)CC1 ZINC000822154435 606749353 /nfs/dbraw/zinc/74/93/53/606749353.db2.gz XEMQLHNUUFVSSH-UHFFFAOYSA-N -1 3 375.458 0.689 20 30 GCEDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCC1CCN(CC#N)CC1 ZINC000822154435 606749355 /nfs/dbraw/zinc/74/93/55/606749355.db2.gz XEMQLHNUUFVSSH-UHFFFAOYSA-N -1 3 375.458 0.689 20 30 GCEDHM C=C[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819729170 606813829 /nfs/dbraw/zinc/81/38/29/606813829.db2.gz DVAPTCJGAXTAAY-GFCCVEGCSA-N -1 3 390.469 0.958 20 30 GCEDHM C=C[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819729170 606813830 /nfs/dbraw/zinc/81/38/30/606813830.db2.gz DVAPTCJGAXTAAY-GFCCVEGCSA-N -1 3 390.469 0.958 20 30 GCEDHM C[C@@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1nc(-c2nc[nH]n2)no1 ZINC000820555053 606819632 /nfs/dbraw/zinc/81/96/32/606819632.db2.gz FPQGDRPHSBVXGL-RXMQYKEDSA-N -1 3 382.373 0.737 20 30 GCEDHM C[C@@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1nc(-c2nc[nH]n2)no1 ZINC000820555053 606819634 /nfs/dbraw/zinc/81/96/34/606819634.db2.gz FPQGDRPHSBVXGL-RXMQYKEDSA-N -1 3 382.373 0.737 20 30 GCEDHM C#CCNC(=O)CN1CCN(CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819701901 606893373 /nfs/dbraw/zinc/89/33/73/606893373.db2.gz PJTPRGDLSGVPLX-UHFFFAOYSA-N -1 3 383.456 0.003 20 30 GCEDHM C=C(C)CN(CC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819722712 606992796 /nfs/dbraw/zinc/99/27/96/606992796.db2.gz PCCUVHJNMUYTHF-GFCCVEGCSA-N -1 3 378.458 0.958 20 30 GCEDHM C=C(C)CN(CC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819722712 606992799 /nfs/dbraw/zinc/99/27/99/606992799.db2.gz PCCUVHJNMUYTHF-GFCCVEGCSA-N -1 3 378.458 0.958 20 30 GCEDHM C=C(C)CN(CC)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819722415 606993019 /nfs/dbraw/zinc/99/30/19/606993019.db2.gz ISUOZXSKTPXRPY-GFCCVEGCSA-N -1 3 378.458 0.958 20 30 GCEDHM C=C(C)CN(CC)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819722415 606993020 /nfs/dbraw/zinc/99/30/20/606993020.db2.gz ISUOZXSKTPXRPY-GFCCVEGCSA-N -1 3 378.458 0.958 20 30 GCEDHM C[C@@H](C#N)CN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819844477 607000111 /nfs/dbraw/zinc/00/01/11/607000111.db2.gz IRHWGGDPYMITML-QWRGUYRKSA-N -1 3 377.430 0.152 20 30 GCEDHM C[C@@H](C#N)CN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819844477 607000112 /nfs/dbraw/zinc/00/01/12/607000112.db2.gz IRHWGGDPYMITML-QWRGUYRKSA-N -1 3 377.430 0.152 20 30 GCEDHM C[C@@H](C#N)CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819844904 607000184 /nfs/dbraw/zinc/00/01/84/607000184.db2.gz NRIFKAGNUAYGIE-WDEREUQCSA-N -1 3 377.430 0.152 20 30 GCEDHM C[C@@H](C#N)CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819844904 607000186 /nfs/dbraw/zinc/00/01/86/607000186.db2.gz NRIFKAGNUAYGIE-WDEREUQCSA-N -1 3 377.430 0.152 20 30 GCEDHM Cn1cc(C#N)cc1C(=O)NCCCCNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822665398 607012936 /nfs/dbraw/zinc/01/29/36/607012936.db2.gz PSXUEKHWVNZZGU-UHFFFAOYSA-N -1 3 395.427 0.355 20 30 GCEDHM Cn1cc(C#N)cc1C(=O)NCCCCNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822665398 607012938 /nfs/dbraw/zinc/01/29/38/607012938.db2.gz PSXUEKHWVNZZGU-UHFFFAOYSA-N -1 3 395.427 0.355 20 30 GCEDHM CC[C@@](C)(C#N)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820848346 607017080 /nfs/dbraw/zinc/01/70/80/607017080.db2.gz VLNIHMQOVMKMGH-BONVTDFDSA-N -1 3 377.430 0.342 20 30 GCEDHM CC[C@@](C)(C#N)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820848346 607017082 /nfs/dbraw/zinc/01/70/82/607017082.db2.gz VLNIHMQOVMKMGH-BONVTDFDSA-N -1 3 377.430 0.342 20 30 GCEDHM CCC[C@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821009031 607018603 /nfs/dbraw/zinc/01/86/03/607018603.db2.gz NBCXMTRPIAZAOI-CMPLNLGQSA-N -1 3 377.430 0.342 20 30 GCEDHM CCC[C@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821009031 607018605 /nfs/dbraw/zinc/01/86/05/607018605.db2.gz NBCXMTRPIAZAOI-CMPLNLGQSA-N -1 3 377.430 0.342 20 30 GCEDHM CC(C)[C@@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820445411 607024472 /nfs/dbraw/zinc/02/44/72/607024472.db2.gz PRMOBGBSKDZGID-GXFFZTMASA-N -1 3 377.430 0.198 20 30 GCEDHM CC(C)[C@@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820445411 607024473 /nfs/dbraw/zinc/02/44/73/607024473.db2.gz PRMOBGBSKDZGID-GXFFZTMASA-N -1 3 377.430 0.198 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000820438589 607053903 /nfs/dbraw/zinc/05/39/03/607053903.db2.gz SLHURPWBQGUPLZ-SUHUHFCYSA-N -1 3 389.441 0.342 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000820438589 607053904 /nfs/dbraw/zinc/05/39/04/607053904.db2.gz SLHURPWBQGUPLZ-SUHUHFCYSA-N -1 3 389.441 0.342 20 30 GCEDHM CC(C)[C@H](C#N)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820451532 607082970 /nfs/dbraw/zinc/08/29/70/607082970.db2.gz VQODZWXJOFGXGR-GWCFXTLKSA-N -1 3 378.414 0.625 20 30 GCEDHM CC(C)[C@H](C#N)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820451532 607082972 /nfs/dbraw/zinc/08/29/72/607082972.db2.gz VQODZWXJOFGXGR-GWCFXTLKSA-N -1 3 378.414 0.625 20 30 GCEDHM N#Cc1cnc(NC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822842500 607104704 /nfs/dbraw/zinc/10/47/04/607104704.db2.gz LDSPLTJZSOXGSE-UHFFFAOYSA-N -1 3 389.422 0.748 20 30 GCEDHM N#Cc1ncn(CC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000822846333 607214634 /nfs/dbraw/zinc/21/46/34/607214634.db2.gz XEFBHCLMSVIXRH-UHFFFAOYSA-N -1 3 379.384 0.400 20 30 GCEDHM N#Cc1ncn(CC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000822846333 607214635 /nfs/dbraw/zinc/21/46/35/607214635.db2.gz XEFBHCLMSVIXRH-UHFFFAOYSA-N -1 3 379.384 0.400 20 30 GCEDHM C=CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823924952 608067873 /nfs/dbraw/zinc/06/78/73/608067873.db2.gz BRJFMQVEVXZMQC-IUODEOHRSA-N -1 3 385.428 0.640 20 30 GCEDHM C=CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823924952 608067874 /nfs/dbraw/zinc/06/78/74/608067874.db2.gz BRJFMQVEVXZMQC-IUODEOHRSA-N -1 3 385.428 0.640 20 30 GCEDHM C=CCNC(=O)NC(=O)[C@H](C)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823924954 608067890 /nfs/dbraw/zinc/06/78/90/608067890.db2.gz BRJFMQVEVXZMQC-WFASDCNBSA-N -1 3 385.428 0.640 20 30 GCEDHM C=CCNC(=O)NC(=O)[C@H](C)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823924954 608067891 /nfs/dbraw/zinc/06/78/91/608067891.db2.gz BRJFMQVEVXZMQC-WFASDCNBSA-N -1 3 385.428 0.640 20 30 GCEDHM C#CCOCCNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823856179 608130183 /nfs/dbraw/zinc/13/01/83/608130183.db2.gz LVOHCYQNRFHHBM-OAHLLOKOSA-N -1 3 383.412 0.311 20 30 GCEDHM C#CCOCCNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823856179 608130184 /nfs/dbraw/zinc/13/01/84/608130184.db2.gz LVOHCYQNRFHHBM-OAHLLOKOSA-N -1 3 383.412 0.311 20 30 GCEDHM C#CCCCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000823841787 608139847 /nfs/dbraw/zinc/13/98/47/608139847.db2.gz SRVGCJJLQPRPSK-UHFFFAOYSA-N -1 3 386.412 0.750 20 30 GCEDHM C#CCCCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000823841787 608139848 /nfs/dbraw/zinc/13/98/48/608139848.db2.gz SRVGCJJLQPRPSK-UHFFFAOYSA-N -1 3 386.412 0.750 20 30 GCEDHM N#Cc1cc(-c2nnn[n-]2)c(SCC(=O)N2CCOC[C@H]2C2CC2)nc1N ZINC000826383508 608227699 /nfs/dbraw/zinc/22/76/99/608227699.db2.gz DRLVXLZEGCCSIJ-LBPRGKRZSA-N -1 3 386.441 0.445 20 30 GCEDHM N#Cc1cc(-c2nn[n-]n2)c(SCC(=O)N2CCOC[C@H]2C2CC2)nc1N ZINC000826383508 608227702 /nfs/dbraw/zinc/22/77/02/608227702.db2.gz DRLVXLZEGCCSIJ-LBPRGKRZSA-N -1 3 386.441 0.445 20 30 GCEDHM C#CCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000823845462 608336580 /nfs/dbraw/zinc/33/65/80/608336580.db2.gz UAMJXOIKRNAWHU-LBPRGKRZSA-N -1 3 390.425 0.530 20 30 GCEDHM C#CCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000823845462 608336581 /nfs/dbraw/zinc/33/65/81/608336581.db2.gz UAMJXOIKRNAWHU-LBPRGKRZSA-N -1 3 390.425 0.530 20 30 GCEDHM C#CCN(C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000823844942 608336585 /nfs/dbraw/zinc/33/65/85/608336585.db2.gz LAILOLVFCSGNPR-DOMZBBRYSA-N -1 3 388.453 0.760 20 30 GCEDHM C#CCN(C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000823844942 608336586 /nfs/dbraw/zinc/33/65/86/608336586.db2.gz LAILOLVFCSGNPR-DOMZBBRYSA-N -1 3 388.453 0.760 20 30 GCEDHM C#CCN(C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000823844944 608336817 /nfs/dbraw/zinc/33/68/17/608336817.db2.gz LAILOLVFCSGNPR-SWLSCSKDSA-N -1 3 388.453 0.760 20 30 GCEDHM C#CCN(C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000823844944 608336819 /nfs/dbraw/zinc/33/68/19/608336819.db2.gz LAILOLVFCSGNPR-SWLSCSKDSA-N -1 3 388.453 0.760 20 30 GCEDHM C#CCN(C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000823844966 608352272 /nfs/dbraw/zinc/35/22/72/608352272.db2.gz LVIOLXZMPLFEON-DOMZBBRYSA-N -1 3 388.453 0.760 20 30 GCEDHM C#CCN(C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000823844966 608352275 /nfs/dbraw/zinc/35/22/75/608352275.db2.gz LVIOLXZMPLFEON-DOMZBBRYSA-N -1 3 388.453 0.760 20 30 GCEDHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN2CCSC[C@@H]2C#N)C1=O ZINC000824843213 608398462 /nfs/dbraw/zinc/39/84/62/608398462.db2.gz BNMFQLWRYXVHRS-GUYCJALGSA-N -1 3 398.452 0.532 20 30 GCEDHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CCSC[C@@H]2C#N)C1=O ZINC000824843213 608398464 /nfs/dbraw/zinc/39/84/64/608398464.db2.gz BNMFQLWRYXVHRS-GUYCJALGSA-N -1 3 398.452 0.532 20 30 GCEDHM N#C[C@H]1CN(C(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)CCO1 ZINC000826381025 608623862 /nfs/dbraw/zinc/62/38/62/608623862.db2.gz VJPQOUINCBXRGX-NRXISQOPSA-N -1 3 398.427 0.886 20 30 GCEDHM N#C[C@H]1CN(C(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)CCO1 ZINC000826381025 608623864 /nfs/dbraw/zinc/62/38/64/608623864.db2.gz VJPQOUINCBXRGX-NRXISQOPSA-N -1 3 398.427 0.886 20 30 GCEDHM COc1cccc2sc(NC(=O)Cn3c(N)nc(C#N)c3-c3nnn[n-]3)nc21 ZINC000826217935 609174172 /nfs/dbraw/zinc/17/41/72/609174172.db2.gz IRLIZIOAAJLQMB-UHFFFAOYSA-N -1 3 396.396 0.774 20 30 GCEDHM COc1cccc2sc(NC(=O)Cn3c(N)nc(C#N)c3-c3nn[n-]n3)nc21 ZINC000826217935 609174174 /nfs/dbraw/zinc/17/41/74/609174174.db2.gz IRLIZIOAAJLQMB-UHFFFAOYSA-N -1 3 396.396 0.774 20 30 GCEDHM C=CCNC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000823919486 609182987 /nfs/dbraw/zinc/18/29/87/609182987.db2.gz HSSUSDQADHMKHV-UHFFFAOYSA-N -1 3 390.347 0.466 20 30 GCEDHM C=CCNC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000823919486 609182989 /nfs/dbraw/zinc/18/29/89/609182989.db2.gz HSSUSDQADHMKHV-UHFFFAOYSA-N -1 3 390.347 0.466 20 30 GCEDHM C=CCNC(=O)CNC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000823919931 609188860 /nfs/dbraw/zinc/18/88/60/609188860.db2.gz SPQDHVMHIWAYEV-UHFFFAOYSA-N -1 3 388.407 0.140 20 30 GCEDHM C=CCNC(=O)CNC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000823919931 609188861 /nfs/dbraw/zinc/18/88/61/609188861.db2.gz SPQDHVMHIWAYEV-UHFFFAOYSA-N -1 3 388.407 0.140 20 30 GCEDHM C=CCN(C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000823899156 609208489 /nfs/dbraw/zinc/20/84/89/609208489.db2.gz NWYRQEBGQJGVLM-KGLIPLIRSA-N -1 3 377.426 0.102 20 30 GCEDHM C=CCN(C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000823899156 609208490 /nfs/dbraw/zinc/20/84/90/609208490.db2.gz NWYRQEBGQJGVLM-KGLIPLIRSA-N -1 3 377.426 0.102 20 30 GCEDHM CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825937432 609257214 /nfs/dbraw/zinc/25/72/14/609257214.db2.gz DITCLQHODSNOBZ-CQSZACIVSA-N -1 3 381.400 0.168 20 30 GCEDHM CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825937432 609257215 /nfs/dbraw/zinc/25/72/15/609257215.db2.gz DITCLQHODSNOBZ-CQSZACIVSA-N -1 3 381.400 0.168 20 30 GCEDHM O=C(NCCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826477517 609292725 /nfs/dbraw/zinc/29/27/25/609292725.db2.gz FQKQZEZIBUGLIT-SSZFMOIBSA-N -1 3 387.787 0.776 20 30 GCEDHM O=C(NCCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826477517 609292726 /nfs/dbraw/zinc/29/27/26/609292726.db2.gz FQKQZEZIBUGLIT-SSZFMOIBSA-N -1 3 387.787 0.776 20 30 GCEDHM C[C@H](C#N)CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824034506 609367801 /nfs/dbraw/zinc/36/78/01/609367801.db2.gz LBXWNPKPGOYCEO-SECBINFHSA-N -1 3 383.347 0.406 20 30 GCEDHM O=c1nc(C=N[O-])ccn1[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826477444 609434230 /nfs/dbraw/zinc/43/42/30/609434230.db2.gz DHYPRUUPJLCKHO-CQSZACIVSA-N -1 3 380.368 0.600 20 30 GCEDHM CN(CCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)c1cc(C#N)c[nH]1 ZINC000825918581 609446119 /nfs/dbraw/zinc/44/61/19/609446119.db2.gz IPVZRNACJNWGBF-UHFFFAOYSA-N -1 3 381.400 0.629 20 30 GCEDHM CN(CCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)c1cc(C#N)c[nH]1 ZINC000825918581 609446121 /nfs/dbraw/zinc/44/61/21/609446121.db2.gz IPVZRNACJNWGBF-UHFFFAOYSA-N -1 3 381.400 0.629 20 30 GCEDHM N#CCCN(CCN1CCOCC1)CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000826381760 609449245 /nfs/dbraw/zinc/44/92/45/609449245.db2.gz YBIDXJOKGSDRJT-UHFFFAOYSA-N -1 3 390.473 0.415 20 30 GCEDHM N#CCCN(CCN1CCOCC1)CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000826381760 609449247 /nfs/dbraw/zinc/44/92/47/609449247.db2.gz YBIDXJOKGSDRJT-UHFFFAOYSA-N -1 3 390.473 0.415 20 30 GCEDHM CC(C)[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824191872 609457805 /nfs/dbraw/zinc/45/78/05/609457805.db2.gz HIANHKZRVNJAKM-CQSZACIVSA-N -1 3 381.400 0.579 20 30 GCEDHM CC(C)[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824191872 609457807 /nfs/dbraw/zinc/45/78/07/609457807.db2.gz HIANHKZRVNJAKM-CQSZACIVSA-N -1 3 381.400 0.579 20 30 GCEDHM CC(C)(C)OC(=O)CNC(=O)CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000824099467 609485181 /nfs/dbraw/zinc/48/51/81/609485181.db2.gz GVMPXAAHQHLIAV-UHFFFAOYSA-N -1 3 390.429 0.266 20 30 GCEDHM CC(C)(C)OC(=O)CNC(=O)CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000824099467 609485184 /nfs/dbraw/zinc/48/51/84/609485184.db2.gz GVMPXAAHQHLIAV-UHFFFAOYSA-N -1 3 390.429 0.266 20 30 GCEDHM C#CCNC(=O)CN1CCCN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)CC1 ZINC000823850846 609552174 /nfs/dbraw/zinc/55/21/74/609552174.db2.gz VGMLVLQNGVVYER-UHFFFAOYSA-N -1 3 388.863 0.485 20 30 GCEDHM C#CCNC(=O)CN1CCCN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)CC1 ZINC000823850846 609552176 /nfs/dbraw/zinc/55/21/76/609552176.db2.gz VGMLVLQNGVVYER-UHFFFAOYSA-N -1 3 388.863 0.485 20 30 GCEDHM N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2=O)cc1 ZINC000826385755 609607201 /nfs/dbraw/zinc/60/72/01/609607201.db2.gz ZCCZOQKZCKWSDI-CQSZACIVSA-N -1 3 376.380 0.992 20 30 GCEDHM N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2=O)cc1 ZINC000826385755 609607204 /nfs/dbraw/zinc/60/72/04/609607204.db2.gz ZCCZOQKZCKWSDI-CQSZACIVSA-N -1 3 376.380 0.992 20 30 GCEDHM N#CC1(NC(=O)COC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC000826379996 609632472 /nfs/dbraw/zinc/63/24/72/609632472.db2.gz JLDNCMXGZIGMPM-OAHLLOKOSA-N -1 3 384.396 0.786 20 30 GCEDHM N#CC1(NC(=O)COC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000826379996 609632473 /nfs/dbraw/zinc/63/24/73/609632473.db2.gz JLDNCMXGZIGMPM-OAHLLOKOSA-N -1 3 384.396 0.786 20 30 GCEDHM N#Cc1ccc(CNC(=O)COC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826385156 609634087 /nfs/dbraw/zinc/63/40/87/609634087.db2.gz ZRBYHEDFZXYARG-KRWDZBQOSA-N -1 3 392.375 0.631 20 30 GCEDHM N#Cc1ccc(CNC(=O)COC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826385156 609634089 /nfs/dbraw/zinc/63/40/89/609634089.db2.gz ZRBYHEDFZXYARG-KRWDZBQOSA-N -1 3 392.375 0.631 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NCCOC1CCSCC1 ZINC000891235543 638471719 /nfs/dbraw/zinc/47/17/19/638471719.db2.gz UYRZZTWYHXTYHJ-UHFFFAOYSA-N -1 3 383.495 0.754 20 30 GCEDHM O=C(CN=C1[N-]S(=O)(=O)c2ccccc21)NCc1n[nH]cc1Br ZINC000729255527 639172092 /nfs/dbraw/zinc/17/20/92/639172092.db2.gz CMBAJAYXKNWXNW-UHFFFAOYSA-N -1 3 398.242 0.527 20 30 GCEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC[S@](C)=O ZINC000730105895 639232502 /nfs/dbraw/zinc/23/25/02/639232502.db2.gz WRYJBJAKXNMCPY-RZFZLAGVSA-N -1 3 385.511 0.779 20 30 GCEDHM N#CCOc1ccc(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1 ZINC000067929679 639949921 /nfs/dbraw/zinc/94/99/21/639949921.db2.gz WPFPCBKOJHQRAF-UHFFFAOYSA-N -1 3 393.197 0.518 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCO[C@H](C(F)(F)F)C1 ZINC000739762047 640196065 /nfs/dbraw/zinc/19/60/65/640196065.db2.gz JGXRHVOMFGIOMC-NSHDSACASA-N -1 3 377.344 0.515 20 30 GCEDHM CSC[C@](C)(O)CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742693400 640248884 /nfs/dbraw/zinc/24/88/84/640248884.db2.gz AUBGGEUYKODUNE-MEDUHNTESA-N -1 3 385.511 0.734 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)CS(C)(=O)=O)ccc1F ZINC000759293437 640546111 /nfs/dbraw/zinc/54/61/11/640546111.db2.gz MIAKZLXQWULDMC-UHFFFAOYSA-N -1 3 392.474 0.843 20 30 GCEDHM C[C@H](CC(=O)N[C@@H](CO)CC(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000760685971 640579393 /nfs/dbraw/zinc/57/93/93/640579393.db2.gz RFRIGHQHZKAPCK-NXEZZACHSA-N -1 3 375.397 0.636 20 30 GCEDHM CNC(=O)CNC(=S)NN=Cc1ccc(OC)c([O-])c1Br ZINC000761010891 640585382 /nfs/dbraw/zinc/58/53/82/640585382.db2.gz DYJXIJZTQCYIDE-UHFFFAOYSA-N -1 3 375.248 0.707 20 30 GCEDHM C[C@H](CC(=O)N(C)[C@H](C)C[S@](C)=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000768452610 640752961 /nfs/dbraw/zinc/75/29/61/640752961.db2.gz YBSPUQFYROIOSG-FLXNLOQFSA-N -1 3 385.511 0.729 20 30 GCEDHM C[C@@H](CC(=O)NCCSCCCO)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000769227465 640770149 /nfs/dbraw/zinc/77/01/49/640770149.db2.gz IIYZTENVNWRJTJ-LBPRGKRZSA-N -1 3 385.511 0.736 20 30 GCEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC)[C@H]1CCCO1 ZINC000773056047 640854284 /nfs/dbraw/zinc/85/42/84/640854284.db2.gz LRFXPEDOXQMNGC-VHSXEESVSA-N -1 3 387.435 0.780 20 30 GCEDHM CS(=O)(=O)CCCCCNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000774096287 640877352 /nfs/dbraw/zinc/87/73/52/640877352.db2.gz PVTHCFUJJXXSEZ-UHFFFAOYSA-N -1 3 387.483 0.056 20 30 GCEDHM Cc1nnc(CNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)s1 ZINC000780035037 641201288 /nfs/dbraw/zinc/20/12/88/641201288.db2.gz NWXBEJNXRKNJID-SECBINFHSA-N -1 3 379.467 0.980 20 30 GCEDHM C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000782987210 641260181 /nfs/dbraw/zinc/26/01/81/641260181.db2.gz KZONCXJLNQAGQP-UHFFFAOYSA-N -1 3 382.847 0.401 20 30 GCEDHM C#CCN(C1CSC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000867722410 641370823 /nfs/dbraw/zinc/37/08/23/641370823.db2.gz YIAQQQZOQBTRNT-UHFFFAOYSA-N -1 3 378.472 0.937 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OC[C@H]1CCCS(=O)(=O)C1 ZINC000791511450 641431723 /nfs/dbraw/zinc/43/17/23/641431723.db2.gz ONTJQDPSVLQLTB-LLVKDONJSA-N -1 3 386.451 0.093 20 30 GCEDHM CC(C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1)S(=O)(=O)C1CCOCC1 ZINC000797244619 641559413 /nfs/dbraw/zinc/55/94/13/641559413.db2.gz MMTSFWOSSWMHNJ-LBPRGKRZSA-N -1 3 392.499 0.499 20 30 GCEDHM C#CCN(CC#N)C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000799088213 641600713 /nfs/dbraw/zinc/60/07/13/641600713.db2.gz GZEVNURLKNIXBX-UHFFFAOYSA-N -1 3 376.257 0.774 20 30 GCEDHM O=C(Nc1ccncc1I)N[C@H]1CCCN([O-])C1=O ZINC000879127740 641607585 /nfs/dbraw/zinc/60/75/85/641607585.db2.gz AAVLOCXJHSWFCC-VIFPVBQESA-N -1 3 376.154 0.610 20 30 GCEDHM C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000882845132 641744716 /nfs/dbraw/zinc/74/47/16/641744716.db2.gz IAVPCTVIVSKUJR-MRVPVSSYSA-N -1 3 385.227 0.630 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)[N-]C[C@@](O)(c2ccccc2)C(F)(F)F)CCO1 ZINC000800057441 641766433 /nfs/dbraw/zinc/76/64/33/641766433.db2.gz COLPQDVERYZPRX-CHWSQXEVSA-N -1 3 379.360 0.495 20 30 GCEDHM C#CCN1CCC[C@@H]([N-]S(=O)(=O)c2cnn3cc(Br)cnc23)C1 ZINC000885508356 641807219 /nfs/dbraw/zinc/80/72/19/641807219.db2.gz GNAHYRHNYFIEAY-GFCCVEGCSA-N -1 3 398.286 0.868 20 30 GCEDHM O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@H]1CCCN([O-])C1=O ZINC000816759495 641864621 /nfs/dbraw/zinc/86/46/21/641864621.db2.gz NUMXWNDPOUYBFN-LBPRGKRZSA-N -1 3 375.834 0.505 20 30 GCEDHM C=CCn1cc(C[N-]S(=O)(=O)c2nc(C)n(C)c2Br)nn1 ZINC000819892404 641943964 /nfs/dbraw/zinc/94/39/64/641943964.db2.gz AYGBTEJLGCVFFQ-UHFFFAOYSA-N -1 3 375.252 0.747 20 30 GCEDHM NS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000820477135 641960853 /nfs/dbraw/zinc/96/08/53/641960853.db2.gz UZXCIXMUEQHAAI-JTQLQIEISA-N -1 3 392.231 0.207 20 30 GCEDHM CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)ccc1Cl ZINC000820476539 641960958 /nfs/dbraw/zinc/96/09/58/641960958.db2.gz MTFYZOLUMJDNFD-LLVKDONJSA-N -1 3 391.833 0.632 20 30 GCEDHM O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N[C@H]1CCCN([O-])C1=O ZINC000820477356 641961375 /nfs/dbraw/zinc/96/13/75/641961375.db2.gz XZVOMWDJGUXRSG-NSHDSACASA-N -1 3 396.197 0.542 20 30 GCEDHM Cn1ncc(NC(=O)N[C@H]2CCCN([O-])C2=O)c1I ZINC000933741750 642021226 /nfs/dbraw/zinc/02/12/26/642021226.db2.gz GUBZYFATGYERTM-LURJTMIESA-N -1 3 379.158 0.526 20 30 GCEDHM C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000823932311 642032730 /nfs/dbraw/zinc/03/27/30/642032730.db2.gz UGNKLHCTCQEGQI-UHFFFAOYSA-N -1 3 391.862 0.399 20 30 GCEDHM C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000823932311 642032735 /nfs/dbraw/zinc/03/27/35/642032735.db2.gz UGNKLHCTCQEGQI-UHFFFAOYSA-N -1 3 391.862 0.399 20 30 GCEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867056948 642101872 /nfs/dbraw/zinc/10/18/72/642101872.db2.gz BDKGTWUNEWPLMW-MRVPVSSYSA-N -1 3 385.227 0.488 20 30 GCEDHM Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)N[C@@H]2CNC[C@@H]2C#N)cn1 ZINC000834494073 642213614 /nfs/dbraw/zinc/21/36/14/642213614.db2.gz JTMBWYCYLKOGDI-GXSJLCMTSA-N -1 3 380.455 0.124 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC(S(C)(=O)=O)C2)ccc1F ZINC000837146865 642264034 /nfs/dbraw/zinc/26/40/34/642264034.db2.gz DIYQUDTYEJVVFM-UHFFFAOYSA-N -1 3 376.431 0.159 20 30 GCEDHM C#CCC[C@@H](O)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867227188 642268590 /nfs/dbraw/zinc/26/85/90/642268590.db2.gz YCYYAOCNLCNIQD-MRVPVSSYSA-N -1 3 383.211 0.077 20 30 GCEDHM C#CC[C@H](NC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C(=O)OC ZINC000837942625 642282742 /nfs/dbraw/zinc/28/27/42/642282742.db2.gz PBDFQDJRNVVAON-QWRGUYRKSA-N -1 3 387.845 0.473 20 30 GCEDHM C#CC[C@@H](NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C(=O)OC ZINC000837942622 642282788 /nfs/dbraw/zinc/28/27/88/642282788.db2.gz PBDFQDJRNVVAON-GHMZBOCLSA-N -1 3 387.845 0.473 20 30 GCEDHM C#C[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br ZINC000867339314 642388024 /nfs/dbraw/zinc/38/80/24/642388024.db2.gz GCNXVWXJUMWDEL-ZETCQYMHSA-N -1 3 380.191 0.647 20 30 GCEDHM C#CCN(CC#CC)S(=O)(=O)CCCS(=O)(=O)[N-]c1cnc(C)nc1 ZINC000848960883 642584230 /nfs/dbraw/zinc/58/42/30/642584230.db2.gz PRXDIVULEJQELT-UHFFFAOYSA-N -1 3 384.483 0.205 20 30 GCEDHM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]nc1C)C(C)(C)C ZINC000848961778 642586571 /nfs/dbraw/zinc/58/65/71/642586571.db2.gz CJDLBNLUXJSJKV-CYBMUJFWSA-N -1 3 376.504 0.817 20 30 GCEDHM C#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000848961903 642587571 /nfs/dbraw/zinc/58/75/71/642587571.db2.gz STIJGZXASIVXEP-UHFFFAOYSA-N -1 3 388.393 0.455 20 30 GCEDHM C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc2cccnc2n1C ZINC000848965721 642604137 /nfs/dbraw/zinc/60/41/37/642604137.db2.gz WHTDDPOXEYJZPM-LLVKDONJSA-N -1 3 385.471 0.041 20 30 GCEDHM C#CCCN(CCOC)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000851876332 642744112 /nfs/dbraw/zinc/74/41/12/642744112.db2.gz ADQATCFTEDSGRO-UHFFFAOYSA-N -1 3 378.447 0.858 20 30 GCEDHM COCC1(O)CCN(C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000759970447 1192428857 /nfs/dbraw/zinc/42/88/57/1192428857.db2.gz SYWSOZRHCKYNEP-ZDUSSCGKSA-N -1 3 395.481 0.504 20 30 GCEDHM C[C@H](CC(=O)O[C@H](C)CN1CCOCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000784918650 1184162190 /nfs/dbraw/zinc/16/21/90/1184162190.db2.gz MNCUZUNVBFANDP-ZIAGYGMSSA-N -1 3 395.481 0.768 20 30 GCEDHM C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1CNCc1nc(=O)n(C)[n-]1 ZINC001087168208 1185970102 /nfs/dbraw/zinc/97/01/02/1185970102.db2.gz ZDHXWFOONAEFRA-QXSJWSMHSA-N -1 3 377.489 0.806 20 30 GCEDHM CCN1C(=O)[C@@H]2CN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CCN2C1=O ZINC000610584325 1186048447 /nfs/dbraw/zinc/04/84/47/1186048447.db2.gz VZRXFQZODLAHIR-HNNXBMFYSA-N -1 3 385.424 0.703 20 30 GCEDHM C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000892162888 1186388720 /nfs/dbraw/zinc/38/87/20/1186388720.db2.gz GUHXSZNQGGFHLK-GRYCIOLGSA-N -1 3 378.454 0.191 20 30 GCEDHM CCOC(=O)c1nnc(C2CCN(S(=O)(=O)c3cccnc3C#N)CC2)[n-]1 ZINC000277451447 1186390777 /nfs/dbraw/zinc/39/07/77/1186390777.db2.gz ABDHVNJRKHMRJK-UHFFFAOYSA-N -1 3 390.425 0.816 20 30 GCEDHM CCOC(=O)c1nc(C2CCN(S(=O)(=O)c3cccnc3C#N)CC2)n[n-]1 ZINC000277451447 1186390780 /nfs/dbraw/zinc/39/07/80/1186390780.db2.gz ABDHVNJRKHMRJK-UHFFFAOYSA-N -1 3 390.425 0.816 20 30 GCEDHM C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1O ZINC001023913303 1187168050 /nfs/dbraw/zinc/16/80/50/1187168050.db2.gz HBJBGOAUVGTSMZ-NHIYQJMISA-N -1 3 390.440 0.163 20 30 GCEDHM COC(=O)CN(C)C(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000726597915 1193910228 /nfs/dbraw/zinc/91/02/28/1193910228.db2.gz JXPYPNQODHJOBG-CYBMUJFWSA-N -1 3 381.454 0.771 20 30 GCEDHM CS(=O)(=O)[N-]c1cncc(C(=O)N(CCC#N)CCN2CCOCC2)c1 ZINC000502955183 1194371102 /nfs/dbraw/zinc/37/11/02/1194371102.db2.gz GVZYLGMAGWVPGK-UHFFFAOYSA-N -1 3 381.458 0.141 20 30 GCEDHM CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)C1=O ZINC000280765826 1194372914 /nfs/dbraw/zinc/37/29/14/1194372914.db2.gz MGQVXXSMZVQFSD-MRXNPFEDSA-N -1 3 380.405 0.786 20 30 GCEDHM COC(=O)[C@@H](CNC(=O)CNc1ccc(C#N)cn1)Cc1ccc([O-])c(F)c1 ZINC000422038783 1194378287 /nfs/dbraw/zinc/37/82/87/1194378287.db2.gz LXDBLZWHZYTPRN-CQSZACIVSA-N -1 3 386.383 1.358 20 30 GCEDHM N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCNC(=O)c1ccc([O-])cc1)CC2 ZINC000436700175 1195026591 /nfs/dbraw/zinc/02/65/91/1195026591.db2.gz YDRUGRAQOWZLDO-UHFFFAOYSA-N -1 3 378.388 0.699 20 30 GCEDHM COCCN(CCC#N)S(=O)(=O)[N-][C@H](C(=O)OC)[C@@H]1CCC[C@@H](OC)C1 ZINC000516575318 1195070132 /nfs/dbraw/zinc/07/01/32/1195070132.db2.gz LVLSWWGDVCRBHJ-KFWWJZLASA-N -1 3 391.490 0.430 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)N2CCN(c3nc4[nH][n-]cc-4c(=N)n3)CC2)cc1 ZINC000546188348 1195444607 /nfs/dbraw/zinc/44/46/07/1195444607.db2.gz LRRKZHFNDMOCNJ-UHFFFAOYSA-N -1 3 384.425 0.100 20 30 GCEDHM CCOC(=O)C(NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(=O)OCC ZINC000280826389 1195802018 /nfs/dbraw/zinc/80/20/18/1195802018.db2.gz SVRBPYKWUMJRSB-UHFFFAOYSA-N -1 3 377.397 0.819 20 30 GCEDHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCC(=O)Nc1sccc1C#N ZINC000019610501 1195964064 /nfs/dbraw/zinc/96/40/64/1195964064.db2.gz JYTPJECODUQKAX-UHFFFAOYSA-N -1 3 398.422 0.685 20 30 GCEDHM C[C@@H](C#N)CN(C)S(=O)(=O)[N-][C@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000281792458 1196332124 /nfs/dbraw/zinc/33/21/24/1196332124.db2.gz OPELTWOPOHFHRA-VHSXEESVSA-N -1 3 382.450 0.868 20 30 GCEDHM COC(=O)[C@]1(C)CCN(C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000760102446 1196374052 /nfs/dbraw/zinc/37/40/52/1196374052.db2.gz QSIDMGKUKTVANH-KPZWWZAWSA-N -1 3 393.465 0.915 20 30 GCEDHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000765838660 1198998121 /nfs/dbraw/zinc/99/81/21/1198998121.db2.gz SNAQEJQNUZWYLX-BZPMIXESSA-N -1 3 392.481 0.535 20 30 GCEDHM C[C@H](CC(=O)N1CCC[C@@H]1C1OCCO1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000888433477 1199621932 /nfs/dbraw/zinc/62/19/32/1199621932.db2.gz VCNPMCDJACQHOG-TZMCWYRMSA-N -1 3 393.465 0.868 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2cn(C)c(=O)n(C)c2=O)no1 ZINC000350883483 1199927411 /nfs/dbraw/zinc/92/74/11/1199927411.db2.gz RODZRTPCYOSYGE-UHFFFAOYSA-N -1 3 382.380 0.508 20 30 GCEDHM C[C@H](CC(=O)N1CCN2C(=O)CC[C@H]2C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000766046552 1200067866 /nfs/dbraw/zinc/06/78/66/1200067866.db2.gz CDYOTSQKMPFRKS-OLZOCXBDSA-N -1 3 390.465 0.337 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1O ZINC001083853094 1200130457 /nfs/dbraw/zinc/13/04/57/1200130457.db2.gz BYRAKQLPKVZWSQ-DFGXFYAUSA-N -1 3 388.468 0.702 20 30 GCEDHM Cc1ncc(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)c(=O)[n-]1 ZINC000541353239 1201037502 /nfs/dbraw/zinc/03/75/02/1201037502.db2.gz IOPVDLIWSCUTEL-UHFFFAOYSA-N -1 3 395.354 0.942 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NCc1nnnn1-c1ccccc1 ZINC000730499055 1201450100 /nfs/dbraw/zinc/45/01/00/1201450100.db2.gz NZCFMZNAEMVOOS-UHFFFAOYSA-N -1 3 397.420 0.017 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NCCC(=O)Nc1ccccc1 ZINC000733227337 1201580524 /nfs/dbraw/zinc/58/05/24/1201580524.db2.gz JCZBBDBEAWQGMP-UHFFFAOYSA-N -1 3 386.433 0.870 20 30 GCEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCc1nnnn1C ZINC000733407481 1201588740 /nfs/dbraw/zinc/58/87/40/1201588740.db2.gz VYPMKUQJVKUELU-GFCCVEGCSA-N -1 3 392.441 0.551 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@H]1CCN(C)C1=O ZINC000734882131 1201665146 /nfs/dbraw/zinc/66/51/46/1201665146.db2.gz DKBDDXWYNPSCEO-KBPBESRZSA-N -1 3 393.465 0.914 20 30 GCEDHM O=C(NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1N=CC=CC1=O ZINC000735083625 1201678136 /nfs/dbraw/zinc/67/81/36/1201678136.db2.gz WDDLIUCTERYHIQ-BUHFOSPRSA-N -1 3 384.345 0.539 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NCCCOCC1CCOCC1 ZINC000740788478 1201750723 /nfs/dbraw/zinc/75/07/23/1201750723.db2.gz FDYNSFZNMQABLG-UHFFFAOYSA-N -1 3 395.481 0.675 20 30 GCEDHM CC(C)C(=O)NCCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742482059 1201797915 /nfs/dbraw/zinc/79/79/15/1201797915.db2.gz FHOOCNFPRYXAKR-LBPRGKRZSA-N -1 3 380.470 0.392 20 30 GCEDHM COC(=O)[C@H](NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C(C)C ZINC000742520089 1201799006 /nfs/dbraw/zinc/79/90/06/1201799006.db2.gz TVUGJJVABNIASC-IAQYHMDHSA-N -1 3 381.454 0.818 20 30 GCEDHM CC(C)CN(CC(N)=O)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742521564 1201799156 /nfs/dbraw/zinc/79/91/56/1201799156.db2.gz HZIJGZLEGMVMOD-GFCCVEGCSA-N -1 3 380.470 0.474 20 30 GCEDHM CC(C)CN(CC(N)=O)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742521567 1201799234 /nfs/dbraw/zinc/79/92/34/1201799234.db2.gz HZIJGZLEGMVMOD-LBPRGKRZSA-N -1 3 380.470 0.474 20 30 GCEDHM COC(=O)CCCN(C)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742540365 1201800114 /nfs/dbraw/zinc/80/01/14/1201800114.db2.gz LGYPKGJCHFXBMW-GFCCVEGCSA-N -1 3 381.454 0.915 20 30 GCEDHM C[C@@H](CC(=O)NCCCn1cncn1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742547547 1201800382 /nfs/dbraw/zinc/80/03/82/1201800382.db2.gz QTNJPWUDUCVQOX-LBPRGKRZSA-N -1 3 376.442 0.302 20 30 GCEDHM C[C@@H](CC(=O)NCCNc1ncccn1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742580044 1201801412 /nfs/dbraw/zinc/80/14/12/1201801412.db2.gz GBEPZPSKMDNONQ-LBPRGKRZSA-N -1 3 388.453 0.522 20 30 GCEDHM CNC(=O)C1(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CCCC1 ZINC000742614535 1201802809 /nfs/dbraw/zinc/80/28/09/1201802809.db2.gz VXLMQJSBNCCGDX-GFCCVEGCSA-N -1 3 392.481 0.679 20 30 GCEDHM CC[C@@H]1C(=O)NCCN1C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742646121 1201803327 /nfs/dbraw/zinc/80/33/27/1201803327.db2.gz IAWCVJQFHWVJEM-WCQYABFASA-N -1 3 378.454 0.241 20 30 GCEDHM CCCOC(=O)CCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742644028 1201804065 /nfs/dbraw/zinc/80/40/65/1201804065.db2.gz CGKYLSRJYDTDSY-GFCCVEGCSA-N -1 3 381.454 0.963 20 30 GCEDHM C[C@@H](CC(=O)N(C)CCn1cccn1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742666993 1201804587 /nfs/dbraw/zinc/80/45/87/1201804587.db2.gz YHKXUJRYWFVHRO-ZDUSSCGKSA-N -1 3 375.454 0.859 20 30 GCEDHM C[C@@H](CC(=O)NC1(C#N)CCOCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742680755 1201805326 /nfs/dbraw/zinc/80/53/26/1201805326.db2.gz YCDCTDDCVGHLGN-LBPRGKRZSA-N -1 3 376.438 0.693 20 30 GCEDHM COC(=O)CC(C)(C)NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742699259 1201805962 /nfs/dbraw/zinc/80/59/62/1201805962.db2.gz YWIZWGUKDNIMTE-NSHDSACASA-N -1 3 381.454 0.962 20 30 GCEDHM C[C@H](CC(=O)NC[C@@H](O)c1ccco1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743305314 1201816065 /nfs/dbraw/zinc/81/60/65/1201816065.db2.gz WMTQFPUEPLMUDW-DGCLKSJQSA-N -1 3 377.422 0.947 20 30 GCEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)CC(N)=O ZINC000743525038 1201819496 /nfs/dbraw/zinc/81/94/96/1201819496.db2.gz MKNIGNOAVBNBJM-AAEUAGOBSA-N -1 3 380.470 0.664 20 30 GCEDHM CCNC(=O)NCCCOC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744108505 1201834687 /nfs/dbraw/zinc/83/46/87/1201834687.db2.gz UKYDNKVGTBCOEV-GFCCVEGCSA-N -1 3 396.469 0.756 20 30 GCEDHM C[C@H](CC(=O)OCCN1CCCC1=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744104275 1201834695 /nfs/dbraw/zinc/83/46/95/1201834695.db2.gz ZDZMMESLAXEVQF-GFCCVEGCSA-N -1 3 379.438 0.669 20 30 GCEDHM C[C@H](CC(=O)OCC(=O)NCCC#N)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745498227 1201879740 /nfs/dbraw/zinc/87/97/40/1201879740.db2.gz ZNKAWNALSRPLIF-LLVKDONJSA-N -1 3 378.410 0.077 20 30 GCEDHM C[C@@H](CC(=O)OCC(=O)N(C)C1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745498179 1201879836 /nfs/dbraw/zinc/87/98/36/1201879836.db2.gz YYWFLSHTUONRJG-NSHDSACASA-N -1 3 379.438 0.668 20 30 GCEDHM C[C@H](CC(=O)OCCN1C(=O)CCC1=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496755 1201879842 /nfs/dbraw/zinc/87/98/42/1201879842.db2.gz PCJWRHFMHFAIRM-LLVKDONJSA-N -1 3 393.421 0.196 20 30 GCEDHM CC(C)NC(=O)[C@@H](C)OC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745497955 1201880196 /nfs/dbraw/zinc/88/01/96/1201880196.db2.gz YTXOAKOFNDOQJE-VXGBXAGGSA-N -1 3 381.454 0.960 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N[C@H](CO)[C@H](O)C1CCCCC1 ZINC001169417779 1201946679 /nfs/dbraw/zinc/94/66/79/1201946679.db2.gz YBSJMOMPTDVWAL-RHSMWYFYSA-N -1 3 395.481 0.143 20 30 GCEDHM NC(=O)[C@@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc(F)cc1 ZINC000766747787 1201951806 /nfs/dbraw/zinc/95/18/06/1201951806.db2.gz SHOXXBSRHVFZBG-HNNXBMFYSA-N -1 3 390.396 0.207 20 30 GCEDHM C[C@@H](CC(=O)Nc1ccc(C(N)=O)nc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000767089533 1201966149 /nfs/dbraw/zinc/96/61/49/1201966149.db2.gz RQGYLOFVKJSVJB-JTQLQIEISA-N -1 3 387.421 0.636 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N[C@H](CO)Cc1ccc(F)cc1 ZINC000767135368 1201967035 /nfs/dbraw/zinc/96/70/35/1201967035.db2.gz OYTJJVQMWQXGRZ-AWEZNQCLSA-N -1 3 391.424 0.584 20 30 GCEDHM CCOCCS(=O)(=O)[N-]CC(=O)OCC(=O)Nc1oc(C)c(C)c1C#N ZINC000767377272 1201971808 /nfs/dbraw/zinc/97/18/08/1201971808.db2.gz LUQJWDUEXVERNU-UHFFFAOYSA-N -1 3 387.414 0.206 20 30 GCEDHM C[C@H](CC(=O)NC[C@@H]1COC(C)(C)O1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000769222153 1202051327 /nfs/dbraw/zinc/05/13/27/1202051327.db2.gz WYKJYUDDOTYXCN-VXGBXAGGSA-N -1 3 381.454 0.771 20 30 GCEDHM N#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)c3ccccc3[n-]1)C2 ZINC001109495699 1202066062 /nfs/dbraw/zinc/06/60/62/1202066062.db2.gz IMKJMLUADFNSDU-PVUWLOKVSA-N -1 3 379.420 0.503 20 30 GCEDHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCC(=O)NCc1ccc(C#N)cc1 ZINC000770100479 1202085118 /nfs/dbraw/zinc/08/51/18/1202085118.db2.gz PNKIDOVWJJVOHH-HNNXBMFYSA-N -1 3 381.454 0.682 20 30 GCEDHM C[C@H](CC(=O)N[C@H](C)[C@H]1CN(C)CCO1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000770234609 1202089887 /nfs/dbraw/zinc/08/98/87/1202089887.db2.gz BUSPGRPSVMXCGE-UMVBOHGHSA-N -1 3 394.497 0.339 20 30 GCEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NN1CCCC1=O ZINC000770545484 1202103738 /nfs/dbraw/zinc/10/37/38/1202103738.db2.gz JUADOSAXFAEZDJ-ZDUSSCGKSA-N -1 3 378.454 0.938 20 30 GCEDHM COC(=O)N1CC(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000771091582 1202124690 /nfs/dbraw/zinc/12/46/90/1202124690.db2.gz NDVWLTIWNCDZSV-SNVBAGLBSA-N -1 3 380.426 0.071 20 30 GCEDHM Cc1c(C=NN2CC(=O)NC2=O)c2ccccn2c1C=NN1CC(=O)[N-]C1=O ZINC000771884717 1202166577 /nfs/dbraw/zinc/16/65/77/1202166577.db2.gz LFMRSLYZCNZEBE-UHFFFAOYSA-N -1 3 381.352 0.019 20 30 GCEDHM Cc1c(C=NN2CC(=O)[N-]C2=O)c2ccccn2c1C=NN1CC(=O)NC1=O ZINC000771884717 1202166580 /nfs/dbraw/zinc/16/65/80/1202166580.db2.gz LFMRSLYZCNZEBE-UHFFFAOYSA-N -1 3 381.352 0.019 20 30 GCEDHM NC(=O)N1CCc2ccc(NC(=O)C/N=C3/[N-]S(=O)(=O)c4ccccc43)cc21 ZINC000787708109 1205399396 /nfs/dbraw/zinc/39/93/96/1205399396.db2.gz HSOKJZCQCRNTEY-UHFFFAOYSA-N -1 3 399.432 0.805 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCc3nc(N)ncc3C2)ccc1F ZINC000790058794 1205455759 /nfs/dbraw/zinc/45/57/59/1205455759.db2.gz MWUMHKNGPPZFTA-UHFFFAOYSA-N -1 3 391.428 0.861 20 30 GCEDHM C[C@@H](CC(=O)N1CC(=O)N(CC2CC2)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000790267961 1205461312 /nfs/dbraw/zinc/46/13/12/1205461312.db2.gz WCHPNJNHPHLNGR-LBPRGKRZSA-N -1 3 390.465 0.542 20 30 GCEDHM Cc1cc(CNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n(C)n1 ZINC000791077738 1205473529 /nfs/dbraw/zinc/47/35/29/1205473529.db2.gz MEJINZKHIQALFB-LLVKDONJSA-N -1 3 375.454 0.862 20 30 GCEDHM CC(C)OC(=O)CC[C@@H](C)NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000792597061 1205489987 /nfs/dbraw/zinc/48/99/87/1205489987.db2.gz FVXRVYGKRDLHNU-GFCCVEGCSA-N -1 3 381.454 0.962 20 30 GCEDHM C[C@H](CC(=O)N[C@H]1CCN(C)C(=O)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000793918122 1205509432 /nfs/dbraw/zinc/50/94/32/1205509432.db2.gz AGGAEJSZUAMQHP-NEPJUHHUSA-N -1 3 378.454 0.241 20 30 GCEDHM C[C@H](CC(=O)NCC1(S(C)(=O)=O)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000793991522 1205511019 /nfs/dbraw/zinc/51/10/19/1205511019.db2.gz HWEJCUNWNAZPKH-LLVKDONJSA-N -1 3 399.494 0.197 20 30 GCEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC(=O)NCC#N ZINC000804819818 1205526416 /nfs/dbraw/zinc/52/64/16/1205526416.db2.gz LXXUBNISQOKFAJ-ZDUSSCGKSA-N -1 3 391.453 0.040 20 30 GCEDHM CC(C)(C)OC(=O)N1CC([N-]S(=O)(=O)c2ccc(C#N)cc2F)(C(N)=O)C1 ZINC000805077972 1205532183 /nfs/dbraw/zinc/53/21/83/1205532183.db2.gz MSPIKAQNWPLSGB-UHFFFAOYSA-N -1 3 398.416 0.450 20 30 GCEDHM N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)c2cnn[n-]2)CC1 ZINC000805608398 1205540643 /nfs/dbraw/zinc/54/06/43/1205540643.db2.gz CWJBVVCBRHPYQH-UHFFFAOYSA-N -1 3 397.351 0.430 20 30 GCEDHM N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)c2c[n-]nn2)CC1 ZINC000805608398 1205540645 /nfs/dbraw/zinc/54/06/45/1205540645.db2.gz CWJBVVCBRHPYQH-UHFFFAOYSA-N -1 3 397.351 0.430 20 30 GCEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@H]1CCNC1=O ZINC000806002950 1205548690 /nfs/dbraw/zinc/54/86/90/1205548690.db2.gz SPDRRISGTNCJIM-OLZOCXBDSA-N -1 3 379.438 0.716 20 30 GCEDHM CN1CCc2c(NC(=O)C/N=C3/[N-]S(=O)(=O)c4ccccc43)cccc2C1=O ZINC001131340928 1205607989 /nfs/dbraw/zinc/60/79/89/1205607989.db2.gz MCNDKVNWJJVUOS-UHFFFAOYSA-N -1 3 398.444 0.992 20 30 GCEDHM CNC(=O)OC[C@H]1CCCCN1C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000809265933 1205620769 /nfs/dbraw/zinc/62/07/69/1205620769.db2.gz GNRZZEAUSQDPOH-GFCCVEGCSA-N -1 3 394.453 0.462 20 30 GCEDHM N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCCc3c(=O)[n-]cnc32)cc1 ZINC001132783895 1205651800 /nfs/dbraw/zinc/65/18/00/1205651800.db2.gz ZHTCEKDZRVSNGH-UHFFFAOYSA-N -1 3 387.421 0.967 20 30 GCEDHM N#Cc1ccc2c(c1)C[C@@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c3ccccc31)C2 ZINC001132852882 1205653048 /nfs/dbraw/zinc/65/30/48/1205653048.db2.gz GWBLNLCFROVUDP-HNNXBMFYSA-N -1 3 380.429 0.880 20 30 GCEDHM C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001177645176 1205774203 /nfs/dbraw/zinc/77/42/03/1205774203.db2.gz RFVVUNPNNLHMCU-UHFFFAOYSA-N -1 3 386.433 0.901 20 30 GCEDHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CCNC(=O)C3N=CC=CC3=O)CC2)n1 ZINC001178039300 1205781722 /nfs/dbraw/zinc/78/17/22/1205781722.db2.gz OEDHKZYDXKAYDJ-WUKNDPDISA-N -1 3 386.412 0.056 20 30 GCEDHM COc1ncnc(N(C([O-])=C(C)C#N)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001179894808 1205815441 /nfs/dbraw/zinc/81/54/41/1205815441.db2.gz NCTWDZYCHOEZPT-SNVBAGLBSA-N -1 3 391.409 0.958 20 30 GCEDHM C[C@@H](CC(=O)N[C@@H](CO)C(F)(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001179905230 1205816046 /nfs/dbraw/zinc/81/60/46/1205816046.db2.gz VNULIKMBQXYFNR-KWQFWETISA-N -1 3 379.360 0.543 20 30 GCEDHM CCOC(=O)c1cc(C#N)c(NC(=O)CN2CCS(=O)(=O)CC2)c(C)c1[O-] ZINC001180595201 1205828209 /nfs/dbraw/zinc/82/82/09/1205828209.db2.gz PRWCKOOVDIWDRH-UHFFFAOYSA-N -1 3 395.437 0.418 20 30 GCEDHM Cc1nn(C)cc1CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000773880851 1205832847 /nfs/dbraw/zinc/83/28/47/1205832847.db2.gz RHNWEELFGUCQEC-NSHDSACASA-N -1 3 375.454 0.862 20 30 GCEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C2CCN(C(=O)N3CCOCC3)CC2)c1 ZINC001190661190 1206040511 /nfs/dbraw/zinc/04/05/11/1206040511.db2.gz NKTMFXIOJDAEHB-UHFFFAOYSA-N -1 3 396.444 0.892 20 30 GCEDHM C#CC[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000819688668 945270207 /nfs/dbraw/zinc/27/02/07/945270207.db2.gz LTYNPEDDGCLIFY-XHDPSFHLSA-N -1 3 389.437 0.879 20 30 GCEDHM C#CC[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000819688668 945270212 /nfs/dbraw/zinc/27/02/12/945270212.db2.gz LTYNPEDDGCLIFY-XHDPSFHLSA-N -1 3 389.437 0.879 20 30 GCEDHM C=CCN(CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)CC(=O)OCC ZINC000819743917 945278761 /nfs/dbraw/zinc/27/87/61/945278761.db2.gz SQEIVLPRMXKXLT-UHFFFAOYSA-N -1 3 379.442 0.692 20 30 GCEDHM C=CCN(CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)CC(=O)OCC ZINC000819743917 945278765 /nfs/dbraw/zinc/27/87/65/945278765.db2.gz SQEIVLPRMXKXLT-UHFFFAOYSA-N -1 3 379.442 0.692 20 30 GCEDHM CS(=O)(=O)N1CCC(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CC1 ZINC000737164712 944974996 /nfs/dbraw/zinc/97/49/96/944974996.db2.gz AJICOIPGXCZTCR-UHFFFAOYSA-N -1 3 375.414 0.348 20 30 GCEDHM CS(=O)(=O)N1CCC(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CC1 ZINC000737164712 944975001 /nfs/dbraw/zinc/97/50/01/944975001.db2.gz AJICOIPGXCZTCR-UHFFFAOYSA-N -1 3 375.414 0.348 20 30 GCEDHM COC(=O)C1=C(C(=O)C2CC2)[C@H](c2cc(-c3nnn[n-]3)cs2)NC(=S)N1 ZINC000821654206 945778209 /nfs/dbraw/zinc/77/82/09/945778209.db2.gz XDRXKNIWSZTYJI-JTQLQIEISA-N -1 3 390.450 0.853 20 30 GCEDHM COC(=O)C1=C(C(=O)C2CC2)[C@H](c2cc(-c3nn[n-]n3)cs2)NC(=S)N1 ZINC000821654206 945778213 /nfs/dbraw/zinc/77/82/13/945778213.db2.gz XDRXKNIWSZTYJI-JTQLQIEISA-N -1 3 390.450 0.853 20 30 GCEDHM N#Cc1cncc(N2CC[C@]3(NC(=O)c4c[nH]c(-c5nnn[n-]5)c4)CCC[C@H]23)n1 ZINC001571295690 946171200 /nfs/dbraw/zinc/17/12/00/946171200.db2.gz CICBMOUIJMWZFN-KBXCAEBGSA-N -1 3 390.411 0.788 20 30 GCEDHM N#Cc1cncc(N2CC[C@]3(NC(=O)c4c[nH]c(-c5nn[n-]n5)c4)CCC[C@H]23)n1 ZINC001571295690 946171207 /nfs/dbraw/zinc/17/12/07/946171207.db2.gz CICBMOUIJMWZFN-KBXCAEBGSA-N -1 3 390.411 0.788 20 30 GCEDHM Cc1cc(C#N)nc(N2C[C@@H]3[C@@H](CNC(=O)c4cc(-c5nnn[n-]5)c[nH]4)[C@@H]3C2)n1 ZINC001571296188 946186879 /nfs/dbraw/zinc/18/68/79/946186879.db2.gz QAXGQZQUYLMEDV-ZSOGYDGISA-N -1 3 390.411 0.277 20 30 GCEDHM Cc1cc(C#N)nc(N2C[C@@H]3[C@@H](CNC(=O)c4cc(-c5nn[n-]n5)c[nH]4)[C@@H]3C2)n1 ZINC001571296188 946186886 /nfs/dbraw/zinc/18/68/86/946186886.db2.gz QAXGQZQUYLMEDV-ZSOGYDGISA-N -1 3 390.411 0.277 20 30 GCEDHM C#CCCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000823844553 946491241 /nfs/dbraw/zinc/49/12/41/946491241.db2.gz ARNOUGHYEYTVBL-UHFFFAOYSA-N -1 3 384.787 0.784 20 30 GCEDHM C#CCCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000823844553 946491254 /nfs/dbraw/zinc/49/12/54/946491254.db2.gz ARNOUGHYEYTVBL-UHFFFAOYSA-N -1 3 384.787 0.784 20 30 GCEDHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCN(c2ccnc(C#N)n2)CC1 ZINC001571312438 946492166 /nfs/dbraw/zinc/49/21/66/946492166.db2.gz CZEPNVDPDSQDBP-LLVKDONJSA-N -1 3 392.427 0.891 20 30 GCEDHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCN(c2ccnc(C#N)n2)CC1 ZINC001571312438 946492172 /nfs/dbraw/zinc/49/21/72/946492172.db2.gz CZEPNVDPDSQDBP-LLVKDONJSA-N -1 3 392.427 0.891 20 30 GCEDHM Cc1cc(C#N)nc(N(C)[C@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571312889 946505347 /nfs/dbraw/zinc/50/53/47/946505347.db2.gz LRELUMWJGIHUBZ-AWEZNQCLSA-N -1 3 392.427 0.906 20 30 GCEDHM Cc1cc(C#N)nc(N(C)[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571312889 946505349 /nfs/dbraw/zinc/50/53/49/946505349.db2.gz LRELUMWJGIHUBZ-AWEZNQCLSA-N -1 3 392.427 0.906 20 30 GCEDHM CN(C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccnc(C#N)n1 ZINC001571313356 946520790 /nfs/dbraw/zinc/52/07/90/946520790.db2.gz QDXNNPAOZQEIOG-LBPRGKRZSA-N -1 3 392.427 0.845 20 30 GCEDHM CN(C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccnc(C#N)n1 ZINC001571313356 946520796 /nfs/dbraw/zinc/52/07/96/946520796.db2.gz QDXNNPAOZQEIOG-LBPRGKRZSA-N -1 3 392.427 0.845 20 30 GCEDHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCN(c2nccnc2C#N)C1 ZINC001571313369 946521241 /nfs/dbraw/zinc/52/12/41/946521241.db2.gz QHEOPDNCOVQXDM-NEPJUHHUSA-N -1 3 392.427 0.891 20 30 GCEDHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCN(c2nccnc2C#N)C1 ZINC001571313369 946521248 /nfs/dbraw/zinc/52/12/48/946521248.db2.gz QHEOPDNCOVQXDM-NEPJUHHUSA-N -1 3 392.427 0.891 20 30 GCEDHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCCN(c2nccnc2C#N)C1 ZINC001571313372 946521484 /nfs/dbraw/zinc/52/14/84/946521484.db2.gz QHEOPDNCOVQXDM-NWDGAFQWSA-N -1 3 392.427 0.891 20 30 GCEDHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCN(c2nccnc2C#N)C1 ZINC001571313372 946521494 /nfs/dbraw/zinc/52/14/94/946521494.db2.gz QHEOPDNCOVQXDM-NWDGAFQWSA-N -1 3 392.427 0.891 20 30 GCEDHM CCc1nc(C#N)cc(N2CCC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571313442 946522978 /nfs/dbraw/zinc/52/29/78/946522978.db2.gz RCDUSXMSHYFEPJ-LBPRGKRZSA-N -1 3 392.427 0.818 20 30 GCEDHM CCc1nc(C#N)cc(N2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571313442 946522989 /nfs/dbraw/zinc/52/29/89/946522989.db2.gz RCDUSXMSHYFEPJ-LBPRGKRZSA-N -1 3 392.427 0.818 20 30 GCEDHM CN(C[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cncc(C#N)n1 ZINC001571313903 946534570 /nfs/dbraw/zinc/53/45/70/946534570.db2.gz XFYAETWQHKPKAI-CYBMUJFWSA-N -1 3 392.427 0.988 20 30 GCEDHM CN(C[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cncc(C#N)n1 ZINC001571313903 946534574 /nfs/dbraw/zinc/53/45/74/946534574.db2.gz XFYAETWQHKPKAI-CYBMUJFWSA-N -1 3 392.427 0.988 20 30 GCEDHM C#CCC1(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCC1 ZINC001573281242 946675762 /nfs/dbraw/zinc/67/57/62/946675762.db2.gz WHZREBSPOSLZBJ-IUODEOHRSA-N -1 3 381.440 0.965 20 30 GCEDHM C#CCC1(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCC1 ZINC001573281242 946675770 /nfs/dbraw/zinc/67/57/70/946675770.db2.gz WHZREBSPOSLZBJ-IUODEOHRSA-N -1 3 381.440 0.965 20 30 GCEDHM C#CCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCN(C(=O)CSC)CC1 ZINC001573281687 946680210 /nfs/dbraw/zinc/68/02/10/946680210.db2.gz ATPSEETYPXDEGV-UHFFFAOYSA-N -1 3 387.469 0.624 20 30 GCEDHM C#CCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCN(C(=O)CSC)CC1 ZINC001573281687 946680216 /nfs/dbraw/zinc/68/02/16/946680216.db2.gz ATPSEETYPXDEGV-UHFFFAOYSA-N -1 3 387.469 0.624 20 30 GCEDHM C#CCN(C(=O)[C@H]1C[C@@H]1C)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573281940 946681851 /nfs/dbraw/zinc/68/18/51/946681851.db2.gz CXGTYSAOKIJODJ-JSGCOSHPSA-N -1 3 381.440 0.917 20 30 GCEDHM C#CCN(C(=O)[C@H]1C[C@@H]1C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573281940 946681857 /nfs/dbraw/zinc/68/18/57/946681857.db2.gz CXGTYSAOKIJODJ-JSGCOSHPSA-N -1 3 381.440 0.917 20 30 GCEDHM C#CCN(C(=O)[C@@H]1C[C@@H]1C)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573281939 946682293 /nfs/dbraw/zinc/68/22/93/946682293.db2.gz CXGTYSAOKIJODJ-GXTWGEPZSA-N -1 3 381.440 0.917 20 30 GCEDHM C#CCN(C(=O)[C@@H]1C[C@@H]1C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573281939 946682300 /nfs/dbraw/zinc/68/23/00/946682300.db2.gz CXGTYSAOKIJODJ-GXTWGEPZSA-N -1 3 381.440 0.917 20 30 GCEDHM C#CCCCCC(=O)NC1(CCO)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573283895 946729554 /nfs/dbraw/zinc/72/95/54/946729554.db2.gz NEKKAPMCIKSGNO-UHFFFAOYSA-N -1 3 385.428 0.082 20 30 GCEDHM C#CCCCCC(=O)NC1(CCO)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573283895 946729564 /nfs/dbraw/zinc/72/95/64/946729564.db2.gz NEKKAPMCIKSGNO-UHFFFAOYSA-N -1 3 385.428 0.082 20 30 GCEDHM C#CCN(C)c1nnc(COc2ccc(-c3nn[n-]n3)cc2)n1CC(C)(C)O ZINC001573283981 946732519 /nfs/dbraw/zinc/73/25/19/946732519.db2.gz YLYLNSKNOBVQLJ-UHFFFAOYSA-N -1 3 382.428 0.878 20 30 GCEDHM C#CCN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001573283993 946733165 /nfs/dbraw/zinc/73/31/65/946733165.db2.gz YQOJVURZHAAMHQ-OWCLPIDISA-N -1 3 385.449 0.619 20 30 GCEDHM C#CCN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001573283993 946733174 /nfs/dbraw/zinc/73/31/74/946733174.db2.gz YQOJVURZHAAMHQ-OWCLPIDISA-N -1 3 385.449 0.619 20 30 GCEDHM C#CCN(CC)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[C@H]1CCC(=O)N1 ZINC001573284031 946735027 /nfs/dbraw/zinc/73/50/27/946735027.db2.gz ZIXGSCKBZUXVFA-OAHLLOKOSA-N -1 3 391.439 0.863 20 30 GCEDHM C#CCN(CC)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C[C@H]1CCC(=O)N1 ZINC001573284031 946735033 /nfs/dbraw/zinc/73/50/33/946735033.db2.gz ZIXGSCKBZUXVFA-OAHLLOKOSA-N -1 3 391.439 0.863 20 30 GCEDHM C#CCCCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573284525 946751095 /nfs/dbraw/zinc/75/10/95/946751095.db2.gz FPTWJHXUEATDHF-IUODEOHRSA-N -1 3 385.428 0.344 20 30 GCEDHM C#CCCCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573284525 946751103 /nfs/dbraw/zinc/75/11/03/946751103.db2.gz FPTWJHXUEATDHF-IUODEOHRSA-N -1 3 385.428 0.344 20 30 GCEDHM C#CCCCC(=O)N1CCO[C@@](C)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573285124 946767479 /nfs/dbraw/zinc/76/74/79/946767479.db2.gz SEYSGLCBDUSEHX-SFHVURJKSA-N -1 3 385.428 0.346 20 30 GCEDHM C#CCCCC(=O)N1CCO[C@@](C)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573285124 946767486 /nfs/dbraw/zinc/76/74/86/946767486.db2.gz SEYSGLCBDUSEHX-SFHVURJKSA-N -1 3 385.428 0.346 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(-c2nnn[n-]2)ccc1F ZINC001573285610 946782937 /nfs/dbraw/zinc/78/29/37/946782937.db2.gz JSZCKYWXHQGLPS-KCXAZCMYSA-N -1 3 384.415 0.829 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573285610 946782943 /nfs/dbraw/zinc/78/29/43/946782943.db2.gz JSZCKYWXHQGLPS-KCXAZCMYSA-N -1 3 384.415 0.829 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)C ZINC001573285707 946786078 /nfs/dbraw/zinc/78/60/78/946786078.db2.gz LNIIFMIMGOXOHD-JSGCOSHPSA-N -1 3 387.444 0.494 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)C ZINC001573285707 946786082 /nfs/dbraw/zinc/78/60/82/946786082.db2.gz LNIIFMIMGOXOHD-JSGCOSHPSA-N -1 3 387.444 0.494 20 30 GCEDHM C#CCO[C@H](C)C(=O)N(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573286090 946793885 /nfs/dbraw/zinc/79/38/85/946793885.db2.gz TVHMAOZPTZNXRJ-ABAIWWIYSA-N -1 3 385.428 0.200 20 30 GCEDHM C#CCO[C@H](C)C(=O)N(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573286090 946793888 /nfs/dbraw/zinc/79/38/88/946793888.db2.gz TVHMAOZPTZNXRJ-ABAIWWIYSA-N -1 3 385.428 0.200 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NC[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573286602 946813601 /nfs/dbraw/zinc/81/36/01/946813601.db2.gz FZYBKLOBWBNPFL-NWDGAFQWSA-N -1 3 375.458 0.612 20 30 GCEDHM C#CCOCCC(=O)N1CCO[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573286772 946818377 /nfs/dbraw/zinc/81/83/77/946818377.db2.gz ILJFSAKYHZLDII-CYBMUJFWSA-N -1 3 389.391 0.080 20 30 GCEDHM C#CCOCCC(=O)N1CCO[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573286772 946818388 /nfs/dbraw/zinc/81/83/88/946818388.db2.gz ILJFSAKYHZLDII-CYBMUJFWSA-N -1 3 389.391 0.080 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573287030 946825798 /nfs/dbraw/zinc/82/57/98/946825798.db2.gz KRTQUYIUNMASIW-AWEZNQCLSA-N -1 3 385.428 0.298 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573287030 946825808 /nfs/dbraw/zinc/82/58/08/946825808.db2.gz KRTQUYIUNMASIW-AWEZNQCLSA-N -1 3 385.428 0.298 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C)nc1 ZINC001573287085 946826392 /nfs/dbraw/zinc/82/63/92/946826392.db2.gz DTOQVRFSGRLFQI-BDJLRTHQSA-N -1 3 390.407 0.462 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)nc1 ZINC001573287085 946826402 /nfs/dbraw/zinc/82/64/02/946826402.db2.gz DTOQVRFSGRLFQI-BDJLRTHQSA-N -1 3 390.407 0.462 20 30 GCEDHM C#CCO[C@H](C)C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCC1 ZINC001573287071 946826715 /nfs/dbraw/zinc/82/67/15/946826715.db2.gz LNCQUPIJYNHASZ-GFCCVEGCSA-N -1 3 385.428 0.392 20 30 GCEDHM C#CCO[C@H](C)C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCC1 ZINC001573287071 946826729 /nfs/dbraw/zinc/82/67/29/946826729.db2.gz LNCQUPIJYNHASZ-GFCCVEGCSA-N -1 3 385.428 0.392 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc1 ZINC001573287757 946845736 /nfs/dbraw/zinc/84/57/36/946845736.db2.gz KUQDQJVCMTXLLE-MNOVXSKESA-N -1 3 378.396 0.508 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc1 ZINC001573287757 946845749 /nfs/dbraw/zinc/84/57/49/946845749.db2.gz KUQDQJVCMTXLLE-MNOVXSKESA-N -1 3 378.396 0.508 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C)cn1 ZINC001573287785 946846416 /nfs/dbraw/zinc/84/64/16/946846416.db2.gz FMYRQISAAVXVLB-NHYWBVRUSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C)cn1 ZINC001573287785 946846429 /nfs/dbraw/zinc/84/64/29/946846429.db2.gz FMYRQISAAVXVLB-NHYWBVRUSA-N -1 3 390.407 0.604 20 30 GCEDHM C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)N(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573288038 946854905 /nfs/dbraw/zinc/85/49/05/946854905.db2.gz RQSRXIXMZUXZEA-TZMCWYRMSA-N -1 3 387.419 0.914 20 30 GCEDHM C#CCOCCC(=O)N[C@@H]1CC[C@@H](C)N(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573288038 946854915 /nfs/dbraw/zinc/85/49/15/946854915.db2.gz RQSRXIXMZUXZEA-TZMCWYRMSA-N -1 3 387.419 0.914 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@H](O)CNc2cccc(F)c2-c2nnn[n-]2)cn1 ZINC001573288064 946855783 /nfs/dbraw/zinc/85/57/83/946855783.db2.gz MKNBIWTZHZPVLL-CYBMUJFWSA-N -1 3 381.371 0.585 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@H](O)CNc2cccc(F)c2-c2nn[n-]n2)cn1 ZINC001573288064 946855795 /nfs/dbraw/zinc/85/57/95/946855795.db2.gz MKNBIWTZHZPVLL-CYBMUJFWSA-N -1 3 381.371 0.585 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001573288467 946866342 /nfs/dbraw/zinc/86/63/42/946866342.db2.gz QTSOQZYZMQLGLX-AWEZNQCLSA-N -1 3 376.380 0.216 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001573288467 946866355 /nfs/dbraw/zinc/86/63/55/946866355.db2.gz QTSOQZYZMQLGLX-AWEZNQCLSA-N -1 3 376.380 0.216 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)C2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001573288490 946867229 /nfs/dbraw/zinc/86/72/29/946867229.db2.gz LLXYSKJUWJNRRG-UHFFFAOYSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)C2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001573288490 946867240 /nfs/dbraw/zinc/86/72/40/946867240.db2.gz LLXYSKJUWJNRRG-UHFFFAOYSA-N -1 3 390.407 0.604 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1(C)C ZINC001573288718 946876889 /nfs/dbraw/zinc/87/68/89/946876889.db2.gz YBXCWQHEAWPJNS-SMDDNHRTSA-N -1 3 385.428 0.200 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1(C)C ZINC001573288718 946876903 /nfs/dbraw/zinc/87/69/03/946876903.db2.gz YBXCWQHEAWPJNS-SMDDNHRTSA-N -1 3 385.428 0.200 20 30 GCEDHM C#CCOCCC(=O)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)cn1)CC2 ZINC001573288847 946879584 /nfs/dbraw/zinc/87/95/84/946879584.db2.gz YVYKQDPBYJNIJJ-HNNXBMFYSA-N -1 3 381.440 0.777 20 30 GCEDHM C#CCOCCC(=O)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)cn1)CC2 ZINC001573288847 946879598 /nfs/dbraw/zinc/87/95/98/946879598.db2.gz YVYKQDPBYJNIJJ-HNNXBMFYSA-N -1 3 381.440 0.777 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@@H]2CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001573288859 946879798 /nfs/dbraw/zinc/87/97/98/946879798.db2.gz UTXZEDVWBPNFME-OAHLLOKOSA-N -1 3 390.407 0.558 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@@H]2CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001573288859 946879811 /nfs/dbraw/zinc/87/98/11/946879811.db2.gz UTXZEDVWBPNFME-OAHLLOKOSA-N -1 3 390.407 0.558 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001573288883 946879972 /nfs/dbraw/zinc/87/99/72/946879972.db2.gz VCVROHHHHCNYMC-CQSZACIVSA-N -1 3 376.380 0.216 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001573288883 946879986 /nfs/dbraw/zinc/87/99/86/946879986.db2.gz VCVROHHHHCNYMC-CQSZACIVSA-N -1 3 376.380 0.216 20 30 GCEDHM C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001573290999 946912109 /nfs/dbraw/zinc/91/21/09/946912109.db2.gz UZSXILLRBWMJRW-BDJLRTHQSA-N -1 3 390.407 0.462 20 30 GCEDHM C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001573290999 946912115 /nfs/dbraw/zinc/91/21/15/946912115.db2.gz UZSXILLRBWMJRW-BDJLRTHQSA-N -1 3 390.407 0.462 20 30 GCEDHM C#Cc1cncc(C(=O)N2C[C@H](C)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001573291001 946915879 /nfs/dbraw/zinc/91/58/79/946915879.db2.gz UZSXILLRBWMJRW-MEDUHNTESA-N -1 3 390.407 0.462 20 30 GCEDHM C#Cc1cncc(C(=O)N2C[C@H](C)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001573291001 946915884 /nfs/dbraw/zinc/91/58/84/946915884.db2.gz UZSXILLRBWMJRW-MEDUHNTESA-N -1 3 390.407 0.462 20 30 GCEDHM C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C)c1 ZINC001573291342 946917403 /nfs/dbraw/zinc/91/74/03/946917403.db2.gz BCZBSCFPBQQJGU-IAQYHMDHSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C)c1 ZINC001573291342 946917409 /nfs/dbraw/zinc/91/74/09/946917409.db2.gz BCZBSCFPBQQJGU-IAQYHMDHSA-N -1 3 390.407 0.604 20 30 GCEDHM CC(=O)c1cn(C2CN(C(=O)[C@H](C#N)Cc3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC001573558346 946937327 /nfs/dbraw/zinc/93/73/27/946937327.db2.gz JOKORXYVKNYVPJ-AWEZNQCLSA-N -1 3 391.395 0.427 20 30 GCEDHM C=C(C)[C@H](CC(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)OCC ZINC001573293408 946955529 /nfs/dbraw/zinc/95/55/29/946955529.db2.gz VNFLONSZSIYFLR-RISCZKNCSA-N -1 3 375.433 0.801 20 30 GCEDHM C=C(C)[C@H](CC(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)OCC ZINC001573293408 946955535 /nfs/dbraw/zinc/95/55/35/946955535.db2.gz VNFLONSZSIYFLR-RISCZKNCSA-N -1 3 375.433 0.801 20 30 GCEDHM C[C@@H](C#N)C(=O)N(C)CCN1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573560682 946956655 /nfs/dbraw/zinc/95/66/55/946956655.db2.gz FIQIAICXBHITFI-LBPRGKRZSA-N -1 3 387.423 0.141 20 30 GCEDHM C[C@@H](C#N)C(=O)N(C)CCN1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573560682 946956661 /nfs/dbraw/zinc/95/66/61/946956661.db2.gz FIQIAICXBHITFI-LBPRGKRZSA-N -1 3 387.423 0.141 20 30 GCEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001573293474 946958577 /nfs/dbraw/zinc/95/85/77/946958577.db2.gz XKGBRPSEVLEOGT-SMDDNHRTSA-N -1 3 387.444 0.489 20 30 GCEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001573293474 946958579 /nfs/dbraw/zinc/95/85/79/946958579.db2.gz XKGBRPSEVLEOGT-SMDDNHRTSA-N -1 3 387.444 0.489 20 30 GCEDHM C=C(C)CCC(=O)NC[C@@]1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001573294042 946976006 /nfs/dbraw/zinc/97/60/06/946976006.db2.gz SAGNZSLBSOZVSP-SFHVURJKSA-N -1 3 387.444 0.898 20 30 GCEDHM C=C(C)CCC(=O)NC[C@@]1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001573294042 946976009 /nfs/dbraw/zinc/97/60/09/946976009.db2.gz SAGNZSLBSOZVSP-SFHVURJKSA-N -1 3 387.444 0.898 20 30 GCEDHM C=C(C)CCC(=O)NCC1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573293990 946976072 /nfs/dbraw/zinc/97/60/72/946976072.db2.gz QQQBDKVHYFIDET-UHFFFAOYSA-N -1 3 387.444 0.634 20 30 GCEDHM C=C(C)CCC(=O)NCC1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573293990 946976074 /nfs/dbraw/zinc/97/60/74/946976074.db2.gz QQQBDKVHYFIDET-UHFFFAOYSA-N -1 3 387.444 0.634 20 30 GCEDHM C=C(C)CCC(=O)NC[C@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573294267 946983299 /nfs/dbraw/zinc/98/32/99/946983299.db2.gz ZZWRYGOYOSXOIP-QGZVFWFLSA-N -1 3 375.408 0.815 20 30 GCEDHM C=C(C)CCC(=O)NC[C@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573294267 946983309 /nfs/dbraw/zinc/98/33/09/946983309.db2.gz ZZWRYGOYOSXOIP-QGZVFWFLSA-N -1 3 375.408 0.815 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573294445 946987382 /nfs/dbraw/zinc/98/73/82/946987382.db2.gz FXQCZDCOVLWLDW-NOLJZWGESA-N -1 3 387.444 0.440 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573294445 946987393 /nfs/dbraw/zinc/98/73/93/946987393.db2.gz FXQCZDCOVLWLDW-NOLJZWGESA-N -1 3 387.444 0.440 20 30 GCEDHM C=C(Cl)CN1CCO[C@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001573294623 946994564 /nfs/dbraw/zinc/99/45/64/946994564.db2.gz DWRHEYXWSKXUAH-MRXNPFEDSA-N -1 3 377.836 0.864 20 30 GCEDHM C=C(Cl)CN1CCO[C@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001573294623 946994571 /nfs/dbraw/zinc/99/45/71/946994571.db2.gz DWRHEYXWSKXUAH-MRXNPFEDSA-N -1 3 377.836 0.864 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573295342 947014236 /nfs/dbraw/zinc/01/42/36/947014236.db2.gz PHVLECZWSSIGRP-IPYPFGDCSA-N -1 3 385.428 0.507 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573295342 947014246 /nfs/dbraw/zinc/01/42/46/947014246.db2.gz PHVLECZWSSIGRP-IPYPFGDCSA-N -1 3 385.428 0.507 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573565992 947018511 /nfs/dbraw/zinc/01/85/11/947018511.db2.gz YSTPNIOKQPWBTR-MWLCHTKSSA-N -1 3 392.370 0.568 20 30 GCEDHM C=C(Cl)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573296041 947036511 /nfs/dbraw/zinc/03/65/11/947036511.db2.gz XIOCSAWLBYMNST-JTQLQIEISA-N -1 3 381.824 0.180 20 30 GCEDHM C=C(Cl)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573296041 947036527 /nfs/dbraw/zinc/03/65/27/947036527.db2.gz XIOCSAWLBYMNST-JTQLQIEISA-N -1 3 381.824 0.180 20 30 GCEDHM C=C(Cl)CN1CCN(CCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573296103 947039555 /nfs/dbraw/zinc/03/95/55/947039555.db2.gz ZJUUWYYJUZNAIS-UHFFFAOYSA-N -1 3 378.868 0.637 20 30 GCEDHM C=C(Cl)CN1CCN(CCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573296103 947039567 /nfs/dbraw/zinc/03/95/67/947039567.db2.gz ZJUUWYYJUZNAIS-UHFFFAOYSA-N -1 3 378.868 0.637 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC[C@H](N(CCO)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573567527 947046382 /nfs/dbraw/zinc/04/63/82/947046382.db2.gz NZMZYYBDGTUFKH-YPMHNXCESA-N -1 3 388.407 0.350 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC[C@H](N(CCO)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573567527 947046390 /nfs/dbraw/zinc/04/63/90/947046390.db2.gz NZMZYYBDGTUFKH-YPMHNXCESA-N -1 3 388.407 0.350 20 30 GCEDHM C=C1CC(C)(C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@H]32)C1 ZINC001573297452 947063891 /nfs/dbraw/zinc/06/38/91/947063891.db2.gz HUUFNPHGBGZNIQ-ZSOGYDGISA-N -1 3 381.440 0.985 20 30 GCEDHM C=C1CC(C)(C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@H]32)C1 ZINC001573297452 947063901 /nfs/dbraw/zinc/06/39/01/947063901.db2.gz HUUFNPHGBGZNIQ-ZSOGYDGISA-N -1 3 381.440 0.985 20 30 GCEDHM C=C(C)C[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573298279 947073110 /nfs/dbraw/zinc/07/31/10/947073110.db2.gz BUGBQWCLCHVQMU-YPMHNXCESA-N -1 3 375.433 0.346 20 30 GCEDHM C=C(C)C[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573298279 947073122 /nfs/dbraw/zinc/07/31/22/947073122.db2.gz BUGBQWCLCHVQMU-YPMHNXCESA-N -1 3 375.433 0.346 20 30 GCEDHM C=C(C)[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)OCC ZINC001573298287 947073397 /nfs/dbraw/zinc/07/33/97/947073397.db2.gz BVABYVSNSHQYQB-VNHYZAJKSA-N -1 3 387.444 0.943 20 30 GCEDHM C=C(C)[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)OCC ZINC001573298287 947073409 /nfs/dbraw/zinc/07/34/09/947073409.db2.gz BVABYVSNSHQYQB-VNHYZAJKSA-N -1 3 387.444 0.943 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCOC2(CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC001573570044 947082178 /nfs/dbraw/zinc/08/21/78/947082178.db2.gz IWJZJOADLKNUGU-CYBMUJFWSA-N -1 3 382.428 0.619 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCOC2(CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC001573570044 947082190 /nfs/dbraw/zinc/08/21/90/947082190.db2.gz IWJZJOADLKNUGU-CYBMUJFWSA-N -1 3 382.428 0.619 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001573570316 947085565 /nfs/dbraw/zinc/08/55/65/947085565.db2.gz MRBJVRQTSSHPFU-DZGCQCFKSA-N -1 3 381.444 0.144 20 30 GCEDHM C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2O)C1 ZINC001573300282 947108389 /nfs/dbraw/zinc/10/83/89/947108389.db2.gz WJIGTICWPJJPPW-OCCSQVGLSA-N -1 3 385.428 0.243 20 30 GCEDHM C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2O)C1 ZINC001573300282 947108399 /nfs/dbraw/zinc/10/83/99/947108399.db2.gz WJIGTICWPJJPPW-OCCSQVGLSA-N -1 3 385.428 0.243 20 30 GCEDHM C[C@@H](C#N)C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573573090 947119164 /nfs/dbraw/zinc/11/91/64/947119164.db2.gz MMGCAQYZRCKFMK-WODVXLOZSA-N -1 3 382.428 0.996 20 30 GCEDHM C[C@@H](C#N)C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573573090 947119169 /nfs/dbraw/zinc/11/91/69/947119169.db2.gz MMGCAQYZRCKFMK-WODVXLOZSA-N -1 3 382.428 0.996 20 30 GCEDHM C=CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573301281 947135308 /nfs/dbraw/zinc/13/53/08/947135308.db2.gz WNZFIWKJJKXGCQ-LLVKDONJSA-N -1 3 375.433 0.298 20 30 GCEDHM C=CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573301281 947135314 /nfs/dbraw/zinc/13/53/14/947135314.db2.gz WNZFIWKJJKXGCQ-LLVKDONJSA-N -1 3 375.433 0.298 20 30 GCEDHM C[C@@H](C#N)C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573575321 947136220 /nfs/dbraw/zinc/13/62/20/947136220.db2.gz WYDMZABUIOJHHM-HLVVYCRESA-N -1 3 382.428 0.996 20 30 GCEDHM C[C@H](C#N)C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573575322 947137010 /nfs/dbraw/zinc/13/70/10/947137010.db2.gz WYDMZABUIOJHHM-NDNKKMJESA-N -1 3 382.428 0.996 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573575790 947143909 /nfs/dbraw/zinc/14/39/09/947143909.db2.gz ZYIFOYRRDHKWFM-QFYYESIMSA-N -1 3 390.835 0.522 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573575790 947143915 /nfs/dbraw/zinc/14/39/15/947143915.db2.gz ZYIFOYRRDHKWFM-QFYYESIMSA-N -1 3 390.835 0.522 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2cc(F)ccc2-c2nn[n-]n2)CCO1 ZINC001573576214 947149725 /nfs/dbraw/zinc/14/97/25/947149725.db2.gz FESLZMDOAHJMMP-SGTLLEGYSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573577196 947164455 /nfs/dbraw/zinc/16/44/55/947164455.db2.gz NFEXZJXGWPCNHS-BJOHPYRUSA-N -1 3 376.808 0.132 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573577196 947164458 /nfs/dbraw/zinc/16/44/58/947164458.db2.gz NFEXZJXGWPCNHS-BJOHPYRUSA-N -1 3 376.808 0.132 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@H]1CCC2(CN(Cc3ccc(-c4nnn[n-]4)s3)C2)O1 ZINC001573577276 947166111 /nfs/dbraw/zinc/16/61/11/947166111.db2.gz OJIDVRQUOXHUFU-RYUDHWBXSA-N -1 3 387.469 0.937 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2ccc(-c3nnn[n-]3)cc2F)CCO1 ZINC001573577761 947172654 /nfs/dbraw/zinc/17/26/54/947172654.db2.gz SNIRLPMIZKOXFT-SGTLLEGYSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC001573577761 947172661 /nfs/dbraw/zinc/17/26/61/947172661.db2.gz SNIRLPMIZKOXFT-SGTLLEGYSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@H]1COC2(CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001573578039 947180066 /nfs/dbraw/zinc/18/00/66/947180066.db2.gz XMOBRPZGBQTIQC-YPMHNXCESA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001573578039 947180076 /nfs/dbraw/zinc/18/00/76/947180076.db2.gz XMOBRPZGBQTIQC-YPMHNXCESA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@H]1COC2(CN(Cc3ccc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001573578056 947180463 /nfs/dbraw/zinc/18/04/63/947180463.db2.gz XQUYOUPDPJDXIL-RISCZKNCSA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001573578056 947180470 /nfs/dbraw/zinc/18/04/70/947180470.db2.gz XQUYOUPDPJDXIL-RISCZKNCSA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCC1(F)F ZINC001573582222 947189884 /nfs/dbraw/zinc/18/98/84/947189884.db2.gz CCZPJDZANZKKLT-WDEREUQCSA-N -1 3 376.371 0.999 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCC1(F)F ZINC001573582222 947189887 /nfs/dbraw/zinc/18/98/87/947189887.db2.gz CCZPJDZANZKKLT-WDEREUQCSA-N -1 3 376.371 0.999 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1OC ZINC001573309121 947191856 /nfs/dbraw/zinc/19/18/56/947191856.db2.gz COXJKFWLPCOBOA-XNJGSVPQSA-N -1 3 391.407 0.048 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1OC ZINC001573309121 947191864 /nfs/dbraw/zinc/19/18/64/947191864.db2.gz COXJKFWLPCOBOA-XNJGSVPQSA-N -1 3 391.407 0.048 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CCCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573309198 947194135 /nfs/dbraw/zinc/19/41/35/947194135.db2.gz DUPPXURMGNUMAN-UGSOOPFHSA-N -1 3 387.444 0.633 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CCCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573309198 947194138 /nfs/dbraw/zinc/19/41/38/947194138.db2.gz DUPPXURMGNUMAN-UGSOOPFHSA-N -1 3 387.444 0.633 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCN1Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001573309614 947205684 /nfs/dbraw/zinc/20/56/84/947205684.db2.gz LONHTVFPLUEZHU-IFXJQAMLSA-N -1 3 386.456 0.893 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCN1Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001573309614 947205692 /nfs/dbraw/zinc/20/56/92/947205692.db2.gz LONHTVFPLUEZHU-IFXJQAMLSA-N -1 3 386.456 0.893 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCC1(F)F ZINC001573583824 947210260 /nfs/dbraw/zinc/21/02/60/947210260.db2.gz PLLFPKSCWFZCOK-WDEREUQCSA-N -1 3 376.371 0.999 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCC1(F)F ZINC001573583824 947210272 /nfs/dbraw/zinc/21/02/72/947210272.db2.gz PLLFPKSCWFZCOK-WDEREUQCSA-N -1 3 376.371 0.999 20 30 GCEDHM CCOC(=O)c1c(C)oc2nc(Cn3cnc(C#N)c3-c3nnn[n-]3)nc(N)c21 ZINC000825553733 947219282 /nfs/dbraw/zinc/21/92/82/947219282.db2.gz VRQMSINLOYIFTQ-UHFFFAOYSA-N -1 3 394.355 0.587 20 30 GCEDHM C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573310332 947220267 /nfs/dbraw/zinc/22/02/67/947220267.db2.gz WMVAVUNPGUEDOC-SGTLLEGYSA-N -1 3 387.444 0.754 20 30 GCEDHM C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573310332 947220278 /nfs/dbraw/zinc/22/02/78/947220278.db2.gz WMVAVUNPGUEDOC-SGTLLEGYSA-N -1 3 387.444 0.754 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573584636 947230622 /nfs/dbraw/zinc/23/06/22/947230622.db2.gz ZRZBPSLLGGRWCK-VTPLQMEGSA-N -1 3 382.428 0.854 20 30 GCEDHM C[C@@H](C#N)C(=O)NCc1ccc(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC001573584881 947239434 /nfs/dbraw/zinc/23/94/34/947239434.db2.gz HCLJXUXVKRIMLH-NSHDSACASA-N -1 3 378.396 0.901 20 30 GCEDHM C[C@@H](C#N)C(=O)NCc1ccc(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC001573585058 947243752 /nfs/dbraw/zinc/24/37/52/947243752.db2.gz JZRCCOOGRRQORW-LBPRGKRZSA-N -1 3 392.423 0.943 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573585488 947257024 /nfs/dbraw/zinc/25/70/24/947257024.db2.gz QESAWLLPXZMQHC-QSGSBWRWSA-N -1 3 390.407 0.866 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573585488 947257033 /nfs/dbraw/zinc/25/70/33/947257033.db2.gz QESAWLLPXZMQHC-QSGSBWRWSA-N -1 3 390.407 0.866 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573585598 947263259 /nfs/dbraw/zinc/26/32/59/947263259.db2.gz SQYZIKNEDMSGEW-QSGSBWRWSA-N -1 3 390.407 0.866 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573585596 947263379 /nfs/dbraw/zinc/26/33/79/947263379.db2.gz SQYZIKNEDMSGEW-DRZCJDIDSA-N -1 3 390.407 0.866 20 30 GCEDHM C[C@H](C#N)C(=O)NCc1ccc(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC001573585680 947264732 /nfs/dbraw/zinc/26/47/32/947264732.db2.gz UQOKKYGDJPQAOX-GFCCVEGCSA-N -1 3 392.423 0.943 20 30 GCEDHM C[C@H](C#N)C(=O)NCc1ccc(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC001573585680 947264743 /nfs/dbraw/zinc/26/47/43/947264743.db2.gz UQOKKYGDJPQAOX-GFCCVEGCSA-N -1 3 392.423 0.943 20 30 GCEDHM C=C[C@H](CC)CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573316295 947271578 /nfs/dbraw/zinc/27/15/78/947271578.db2.gz VFXLZSAEDNRHDZ-OCCSQVGLSA-N -1 3 389.460 0.688 20 30 GCEDHM C=C[C@H](CC)CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573316295 947271587 /nfs/dbraw/zinc/27/15/87/947271587.db2.gz VFXLZSAEDNRHDZ-OCCSQVGLSA-N -1 3 389.460 0.688 20 30 GCEDHM C=C[C@@H](CC)CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573316294 947272822 /nfs/dbraw/zinc/27/28/22/947272822.db2.gz VFXLZSAEDNRHDZ-JSGCOSHPSA-N -1 3 389.460 0.688 20 30 GCEDHM C=C[C@@H](CC)CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573316294 947272832 /nfs/dbraw/zinc/27/28/32/947272832.db2.gz VFXLZSAEDNRHDZ-JSGCOSHPSA-N -1 3 389.460 0.688 20 30 GCEDHM C=CCCC(=O)N(CCO)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573328785 947414262 /nfs/dbraw/zinc/41/42/62/947414262.db2.gz CIMUDWAFSFSCDZ-UHFFFAOYSA-N -1 3 387.444 0.587 20 30 GCEDHM C=CCCC(=O)N(CCO)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573328785 947414265 /nfs/dbraw/zinc/41/42/65/947414265.db2.gz CIMUDWAFSFSCDZ-UHFFFAOYSA-N -1 3 387.444 0.587 20 30 GCEDHM C=CCCCC(=O)NC[C@]1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001573334367 947455058 /nfs/dbraw/zinc/45/50/58/947455058.db2.gz MLROWVLFEAWNFD-GOSISDBHSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCCCC(=O)NC[C@]1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001573334367 947455064 /nfs/dbraw/zinc/45/50/64/947455064.db2.gz MLROWVLFEAWNFD-GOSISDBHSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCCOCC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573335609 947482121 /nfs/dbraw/zinc/48/21/21/947482121.db2.gz BGXJVCULISPGTJ-CHWSQXEVSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCCOCC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573335609 947482130 /nfs/dbraw/zinc/48/21/30/947482130.db2.gz BGXJVCULISPGTJ-CHWSQXEVSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1OC ZINC001573335767 947487570 /nfs/dbraw/zinc/48/75/70/947487570.db2.gz DJWASCHOHAJFRR-BPLDGKMQSA-N -1 3 387.444 0.563 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1OC ZINC001573335767 947487577 /nfs/dbraw/zinc/48/75/77/947487577.db2.gz DJWASCHOHAJFRR-BPLDGKMQSA-N -1 3 387.444 0.563 20 30 GCEDHM C=CCCOCC(=O)N1CC[C@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573335884 947492137 /nfs/dbraw/zinc/49/21/37/947492137.db2.gz FRYHDJXCDCRBMI-GOSISDBHSA-N -1 3 387.444 0.756 20 30 GCEDHM C=CCCOCC(=O)N1CC[C@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573335884 947492146 /nfs/dbraw/zinc/49/21/46/947492146.db2.gz FRYHDJXCDCRBMI-GOSISDBHSA-N -1 3 387.444 0.756 20 30 GCEDHM C=CCCOCC(=O)N[C@H]1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573335869 947492672 /nfs/dbraw/zinc/49/26/72/947492672.db2.gz FNLBKAOATABIFE-UONOGXRCSA-N -1 3 387.444 0.945 20 30 GCEDHM C=CCCOCC(=O)N[C@H]1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573335869 947492680 /nfs/dbraw/zinc/49/26/80/947492680.db2.gz FNLBKAOATABIFE-UONOGXRCSA-N -1 3 387.444 0.945 20 30 GCEDHM C=CCCO[C@H](C)C(=O)NC[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573336201 947503184 /nfs/dbraw/zinc/50/31/84/947503184.db2.gz LAUCKIPJDPSXKK-OCCSQVGLSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCO[C@H](C)C(=O)NC[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573336201 947503199 /nfs/dbraw/zinc/50/31/99/947503199.db2.gz LAUCKIPJDPSXKK-OCCSQVGLSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCOCC(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C ZINC001573336709 947507926 /nfs/dbraw/zinc/50/79/26/947507926.db2.gz QKIIATPSNXFXPQ-OLZOCXBDSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCOCC(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001573336709 947507934 /nfs/dbraw/zinc/50/79/34/947507934.db2.gz QKIIATPSNXFXPQ-OLZOCXBDSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573336782 947510869 /nfs/dbraw/zinc/51/08/69/947510869.db2.gz RAAZMXOTIKDBOR-OCCSQVGLSA-N -1 3 387.444 0.849 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573336782 947510874 /nfs/dbraw/zinc/51/08/74/947510874.db2.gz RAAZMXOTIKDBOR-OCCSQVGLSA-N -1 3 387.444 0.849 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573337336 947515715 /nfs/dbraw/zinc/51/57/15/947515715.db2.gz WAUBYNCOTKRLAB-JSGCOSHPSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573337336 947515722 /nfs/dbraw/zinc/51/57/22/947515722.db2.gz WAUBYNCOTKRLAB-JSGCOSHPSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCn1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C)nn1 ZINC001573341378 947530172 /nfs/dbraw/zinc/53/01/72/947530172.db2.gz MEHNWUDYXKWBSC-TZMCWYRMSA-N -1 3 394.443 0.684 20 30 GCEDHM C=CCCn1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C)nn1 ZINC001573341378 947530181 /nfs/dbraw/zinc/53/01/81/947530181.db2.gz MEHNWUDYXKWBSC-TZMCWYRMSA-N -1 3 394.443 0.684 20 30 GCEDHM C=CCCn1cc(C(=O)NCC=CCNc2ncccc2-c2nnn[n-]2)nn1 ZINC001573341579 947532783 /nfs/dbraw/zinc/53/27/83/947532783.db2.gz OBVRMCLAVBSZKR-PLNGDYQASA-N -1 3 380.416 0.827 20 30 GCEDHM C=CCCn1cc(C(=O)NCC=CCNc2ncccc2-c2nn[n-]n2)nn1 ZINC001573341579 947532788 /nfs/dbraw/zinc/53/27/88/947532788.db2.gz OBVRMCLAVBSZKR-PLNGDYQASA-N -1 3 380.416 0.827 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCCS(N)(=O)=O ZINC001573342020 947536512 /nfs/dbraw/zinc/53/65/12/947536512.db2.gz SEVJHOADKVPOQA-UHFFFAOYSA-N -1 3 379.446 0.243 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCCS(N)(=O)=O ZINC001573342020 947536518 /nfs/dbraw/zinc/53/65/18/947536518.db2.gz SEVJHOADKVPOQA-UHFFFAOYSA-N -1 3 379.446 0.243 20 30 GCEDHM C=CCOCC(=O)NC[C@@H]1CN(Cc2cc(-c3nnn[n-]3)ccc2F)CCO1 ZINC001573342926 947550344 /nfs/dbraw/zinc/55/03/44/947550344.db2.gz HJLWJTLVGVVYPM-OAHLLOKOSA-N -1 3 390.419 0.525 20 30 GCEDHM C=CCOCC(=O)NC[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)CCO1 ZINC001573342926 947550347 /nfs/dbraw/zinc/55/03/47/947550347.db2.gz HJLWJTLVGVVYPM-OAHLLOKOSA-N -1 3 390.419 0.525 20 30 GCEDHM C=CCOCC(=O)N1CC[C@@]2(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCC[C@@H]12 ZINC001573343072 947552911 /nfs/dbraw/zinc/55/29/11/947552911.db2.gz JACHQQZDUJQWFP-KDOFPFPSSA-N -1 3 385.428 0.651 20 30 GCEDHM C=CCOCC(=O)N1CC[C@@]2(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCC[C@@H]12 ZINC001573343072 947552916 /nfs/dbraw/zinc/55/29/16/947552916.db2.gz JACHQQZDUJQWFP-KDOFPFPSSA-N -1 3 385.428 0.651 20 30 GCEDHM C=CCOCC(=O)Nc1c(-c2nnn[n-]2)cn(CCOC)c1C(=O)OCC ZINC001573344186 947569705 /nfs/dbraw/zinc/56/97/05/947569705.db2.gz YGWZZENEKNZSMU-UHFFFAOYSA-N -1 3 378.389 0.632 20 30 GCEDHM C=CCOCC(=O)Nc1c(-c2nn[n-]n2)cn(CCOC)c1C(=O)OCC ZINC001573344186 947569708 /nfs/dbraw/zinc/56/97/08/947569708.db2.gz YGWZZENEKNZSMU-UHFFFAOYSA-N -1 3 378.389 0.632 20 30 GCEDHM C=CCn1cc(C(=O)N(C)CCCNc2snc(C)c2-c2nnn[n-]2)nn1 ZINC001573348135 947579572 /nfs/dbraw/zinc/57/95/72/947579572.db2.gz MTLNIODZOXQHJE-UHFFFAOYSA-N -1 3 388.461 0.983 20 30 GCEDHM C=CCOCCCC(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573348426 947583282 /nfs/dbraw/zinc/58/32/82/947583282.db2.gz QJBPXLSTRHRXKO-CQSZACIVSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCOCCCC(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573348426 947583291 /nfs/dbraw/zinc/58/32/91/947583291.db2.gz QJBPXLSTRHRXKO-CQSZACIVSA-N -1 3 387.444 0.898 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001573350588 947598495 /nfs/dbraw/zinc/59/84/95/947598495.db2.gz GZJCBRYKTBNXTH-NPCUJANDSA-N -1 3 381.440 0.651 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001573350588 947598498 /nfs/dbraw/zinc/59/84/98/947598498.db2.gz GZJCBRYKTBNXTH-NPCUJANDSA-N -1 3 381.440 0.651 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573350990 947605637 /nfs/dbraw/zinc/60/56/37/947605637.db2.gz MUDOQCZNOTWHKD-LZWOXQAQSA-N -1 3 399.455 0.897 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573350990 947605644 /nfs/dbraw/zinc/60/56/44/947605644.db2.gz MUDOQCZNOTWHKD-LZWOXQAQSA-N -1 3 399.455 0.897 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573350923 947606204 /nfs/dbraw/zinc/60/62/04/947606204.db2.gz LEWWDIQJHWNOCB-LZWOXQAQSA-N -1 3 399.455 0.897 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573350923 947606209 /nfs/dbraw/zinc/60/62/09/947606209.db2.gz LEWWDIQJHWNOCB-LZWOXQAQSA-N -1 3 399.455 0.897 20 30 GCEDHM C=CCn1cc(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)cc3F)C2)nn1 ZINC001573351577 947617458 /nfs/dbraw/zinc/61/74/58/947617458.db2.gz STHOZXHKLSSWFI-UHFFFAOYSA-N -1 3 383.391 0.398 20 30 GCEDHM C=CCn1cc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)nn1 ZINC001573351577 947617464 /nfs/dbraw/zinc/61/74/64/947617464.db2.gz STHOZXHKLSSWFI-UHFFFAOYSA-N -1 3 383.391 0.398 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573351850 947621072 /nfs/dbraw/zinc/62/10/72/947621072.db2.gz WCPDWELCVDAONE-SNPRPXQTSA-N -1 3 387.444 0.657 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573351850 947621078 /nfs/dbraw/zinc/62/10/78/947621078.db2.gz WCPDWELCVDAONE-SNPRPXQTSA-N -1 3 387.444 0.657 20 30 GCEDHM CC#CCCCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001573359348 947686112 /nfs/dbraw/zinc/68/61/12/947686112.db2.gz ZPKDSGOYEJOKQB-HIFRSBDPSA-N -1 3 385.428 0.080 20 30 GCEDHM CC#CCCCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001573359348 947686117 /nfs/dbraw/zinc/68/61/17/947686117.db2.gz ZPKDSGOYEJOKQB-HIFRSBDPSA-N -1 3 385.428 0.080 20 30 GCEDHM Cc1ccc(NC(=O)CN(C)C(=O)Cn2cnc(C#N)c2-c2nnn[n-]2)cc1 ZINC000826290168 947845546 /nfs/dbraw/zinc/84/55/46/947845546.db2.gz DCVWCNDCSKWVFS-UHFFFAOYSA-N -1 3 379.384 0.340 20 30 GCEDHM N#Cc1cc(C(=O)N2CCC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c[nH]1 ZINC000826383840 948183958 /nfs/dbraw/zinc/18/39/58/948183958.db2.gz SWCKOQZFSIBOJU-CYBMUJFWSA-N -1 3 379.384 0.429 20 30 GCEDHM N#Cc1cc(C(=O)N2CCC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c[nH]1 ZINC000826383840 948183971 /nfs/dbraw/zinc/18/39/71/948183971.db2.gz SWCKOQZFSIBOJU-CYBMUJFWSA-N -1 3 379.384 0.429 20 30 GCEDHM CC(C)(C#N)CS(=O)(=O)N1CC[C@@H](Oc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573762036 948852268 /nfs/dbraw/zinc/85/22/68/948852268.db2.gz PZDAECNOGRYFFC-GFCCVEGCSA-N -1 3 377.430 0.594 20 30 GCEDHM CC(C)(C#N)CS(=O)(=O)N1CC[C@@H](Oc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573762036 948852287 /nfs/dbraw/zinc/85/22/87/948852287.db2.gz PZDAECNOGRYFFC-GFCCVEGCSA-N -1 3 377.430 0.594 20 30 GCEDHM CC(C)(C#N)CS(=O)(=O)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC001573762350 948855068 /nfs/dbraw/zinc/85/50/68/948855068.db2.gz UKGURNLWVBJEON-UHFFFAOYSA-N -1 3 376.446 0.263 20 30 GCEDHM CC(C)(C#N)CS(=O)(=O)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC001573762350 948855092 /nfs/dbraw/zinc/85/50/92/948855092.db2.gz UKGURNLWVBJEON-UHFFFAOYSA-N -1 3 376.446 0.263 20 30 GCEDHM CC(C)(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573793365 949297059 /nfs/dbraw/zinc/29/70/59/949297059.db2.gz QJDPZWRNYPYCTB-GFCCVEGCSA-N -1 3 385.428 0.202 20 30 GCEDHM CC(C)(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573793365 949297081 /nfs/dbraw/zinc/29/70/81/949297081.db2.gz QJDPZWRNYPYCTB-GFCCVEGCSA-N -1 3 385.428 0.202 20 30 GCEDHM C[C@@]1(C#N)CN(C(=O)Nc2cnn(-c3ncccc3-c3nnn[n-]3)c2)CCO1 ZINC001575525823 949352315 /nfs/dbraw/zinc/35/23/15/949352315.db2.gz RFAOCCXWJJDWGM-MRXNPFEDSA-N -1 3 380.372 0.594 20 30 GCEDHM C[C@@]1(C#N)CN(C(=O)Nc2cnn(-c3ncccc3-c3nn[n-]n3)c2)CCO1 ZINC001575525823 949352337 /nfs/dbraw/zinc/35/23/37/949352337.db2.gz RFAOCCXWJJDWGM-MRXNPFEDSA-N -1 3 380.372 0.594 20 30 GCEDHM C[C@]1(C#N)CN(C(=O)Nc2cnn(-c3ncccc3-c3nnn[n-]3)c2)CCO1 ZINC001575525818 949355192 /nfs/dbraw/zinc/35/51/92/949355192.db2.gz RFAOCCXWJJDWGM-INIZCTEOSA-N -1 3 380.372 0.594 20 30 GCEDHM C[C@]1(C#N)CN(C(=O)Nc2cnn(-c3ncccc3-c3nn[n-]n3)c2)CCO1 ZINC001575525818 949355214 /nfs/dbraw/zinc/35/52/14/949355214.db2.gz RFAOCCXWJJDWGM-INIZCTEOSA-N -1 3 380.372 0.594 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1c1cncc(C#N)n1 ZINC001575881777 949733991 /nfs/dbraw/zinc/73/39/91/949733991.db2.gz ATBBKBMHCOLZAV-GXFFZTMASA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1c1cncc(C#N)n1 ZINC001575881777 949734004 /nfs/dbraw/zinc/73/40/04/949734004.db2.gz ATBBKBMHCOLZAV-GXFFZTMASA-N -1 3 378.400 0.644 20 30 GCEDHM CC(C)(C)[C@H](CNc1ccnc(C#N)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573820278 949761867 /nfs/dbraw/zinc/76/18/67/949761867.db2.gz WZLXIKSVGOLIBJ-LBPRGKRZSA-N -1 3 380.416 0.535 20 30 GCEDHM CC(C)(C)[C@H](CNc1ccnc(C#N)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573820278 949761884 /nfs/dbraw/zinc/76/18/84/949761884.db2.gz WZLXIKSVGOLIBJ-LBPRGKRZSA-N -1 3 380.416 0.535 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575882826 949793420 /nfs/dbraw/zinc/79/34/20/949793420.db2.gz ATRXERTTZOYMKW-JOYOIKCWSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575882826 949793448 /nfs/dbraw/zinc/79/34/48/949793448.db2.gz ATRXERTTZOYMKW-JOYOIKCWSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575882899 949796603 /nfs/dbraw/zinc/79/66/03/949796603.db2.gz BOAPEOJOMPTLJO-ZANVPECISA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575882899 949796622 /nfs/dbraw/zinc/79/66/22/949796622.db2.gz BOAPEOJOMPTLJO-ZANVPECISA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575884936 949851339 /nfs/dbraw/zinc/85/13/39/949851339.db2.gz IZLSRSYLYYUUBA-BXKDBHETSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575884936 949851354 /nfs/dbraw/zinc/85/13/54/949851354.db2.gz IZLSRSYLYYUUBA-BXKDBHETSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)CSCC#N ZINC001575888427 949914301 /nfs/dbraw/zinc/91/43/01/949914301.db2.gz PZDSYYHGAAUIMJ-ZYHUDNBSSA-N -1 3 388.457 0.561 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)CSCC#N ZINC001575888427 949914334 /nfs/dbraw/zinc/91/43/34/949914334.db2.gz PZDSYYHGAAUIMJ-ZYHUDNBSSA-N -1 3 388.457 0.561 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575889477 949934000 /nfs/dbraw/zinc/93/40/00/949934000.db2.gz SDLUHNZSMOVKMY-BXKDBHETSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575889477 949934017 /nfs/dbraw/zinc/93/40/17/949934017.db2.gz SDLUHNZSMOVKMY-BXKDBHETSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575890197 949948764 /nfs/dbraw/zinc/94/87/64/949948764.db2.gz WCTYSBBUXLPDNZ-ZANVPECISA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575890197 949948780 /nfs/dbraw/zinc/94/87/80/949948780.db2.gz WCTYSBBUXLPDNZ-ZANVPECISA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575890785 949964457 /nfs/dbraw/zinc/96/44/57/949964457.db2.gz ZXNNUMCZLOTTRL-BXKDBHETSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575890785 949964476 /nfs/dbraw/zinc/96/44/76/949964476.db2.gz ZXNNUMCZLOTTRL-BXKDBHETSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1c1ccnc(C#N)n1 ZINC001575892092 950047198 /nfs/dbraw/zinc/04/71/98/950047198.db2.gz RKXJEQXYEJCKQG-WDEREUQCSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1c1ccnc(C#N)n1 ZINC001575892092 950047220 /nfs/dbraw/zinc/04/72/20/950047220.db2.gz RKXJEQXYEJCKQG-WDEREUQCSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1CNc1ccnc(C#N)n1 ZINC001576191235 950194097 /nfs/dbraw/zinc/19/40/97/950194097.db2.gz HFIRXBFYEQZENC-NEPJUHHUSA-N -1 3 392.427 0.489 20 30 GCEDHM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1CNc1ccnc(C#N)n1 ZINC001576191235 950194114 /nfs/dbraw/zinc/19/41/14/950194114.db2.gz HFIRXBFYEQZENC-NEPJUHHUSA-N -1 3 392.427 0.489 20 30 GCEDHM C[C@H](C[C@@H](C)NC(=O)c1ccc(C#N)[nH]1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574530758 950995345 /nfs/dbraw/zinc/99/53/45/950995345.db2.gz WRZFFNHFQIPNEE-NXEZZACHSA-N -1 3 381.400 0.721 20 30 GCEDHM C[C@H](C[C@@H](C)NC(=O)c1ccc(C#N)[nH]1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574530758 950995354 /nfs/dbraw/zinc/99/53/54/950995354.db2.gz WRZFFNHFQIPNEE-NXEZZACHSA-N -1 3 381.400 0.721 20 30 GCEDHM C[C@](CNc1cnc(C#N)cn1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575155889 952246211 /nfs/dbraw/zinc/24/62/11/952246211.db2.gz POFODADPSQOSKL-QGZVFWFLSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@](CNc1cnc(C#N)cn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575155889 952246214 /nfs/dbraw/zinc/24/62/14/952246214.db2.gz POFODADPSQOSKL-QGZVFWFLSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@](CNc1nccnc1C#N)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575177005 952398225 /nfs/dbraw/zinc/39/82/25/952398225.db2.gz GAYGZJQYVLSATO-QGZVFWFLSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@](CNc1nccnc1C#N)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575177005 952398230 /nfs/dbraw/zinc/39/82/30/952398230.db2.gz GAYGZJQYVLSATO-QGZVFWFLSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nc2)c[nH]1 ZINC001571114317 952453340 /nfs/dbraw/zinc/45/33/40/952453340.db2.gz GODGVVGKSWQQSO-GASCZTMLSA-N -1 3 375.396 0.955 20 30 GCEDHM N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nc2)c[nH]1 ZINC001571114317 952453344 /nfs/dbraw/zinc/45/33/44/952453344.db2.gz GODGVVGKSWQQSO-GASCZTMLSA-N -1 3 375.396 0.955 20 30 GCEDHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1CNc1ccncc1C#N ZINC001571124576 952541500 /nfs/dbraw/zinc/54/15/00/952541500.db2.gz NQUKCBHVEYWVJE-FZMZJTMJSA-N -1 3 377.412 0.704 20 30 GCEDHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1CNc1ccncc1C#N ZINC001571124576 952541504 /nfs/dbraw/zinc/54/15/04/952541504.db2.gz NQUKCBHVEYWVJE-FZMZJTMJSA-N -1 3 377.412 0.704 20 30 GCEDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001571124985 952546242 /nfs/dbraw/zinc/54/62/42/952546242.db2.gz XNJJUNPQAPZONN-DGCLKSJQSA-N -1 3 377.412 0.964 20 30 GCEDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001571124985 952546247 /nfs/dbraw/zinc/54/62/47/952546247.db2.gz XNJJUNPQAPZONN-DGCLKSJQSA-N -1 3 377.412 0.964 20 30 GCEDHM Cc1cc(C#N)nc(NC2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)n1 ZINC001571135723 952607923 /nfs/dbraw/zinc/60/79/23/952607923.db2.gz BYJPXRKIQMPIFD-UHFFFAOYSA-N -1 3 378.400 0.882 20 30 GCEDHM Cc1cc(C#N)nc(NC2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)n1 ZINC001571135723 952607925 /nfs/dbraw/zinc/60/79/25/952607925.db2.gz BYJPXRKIQMPIFD-UHFFFAOYSA-N -1 3 378.400 0.882 20 30 GCEDHM C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[C@@H]1Nc1cnc(C#N)cn1 ZINC001571135745 952608117 /nfs/dbraw/zinc/60/81/17/952608117.db2.gz CNSCJWLTTYQHMM-GWCFXTLKSA-N -1 3 378.400 0.819 20 30 GCEDHM C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[C@@H]1Nc1cnc(C#N)cn1 ZINC001571135745 952608118 /nfs/dbraw/zinc/60/81/18/952608118.db2.gz CNSCJWLTTYQHMM-GWCFXTLKSA-N -1 3 378.400 0.819 20 30 GCEDHM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@@H]1Nc1nccnc1C#N ZINC001571135837 952608912 /nfs/dbraw/zinc/60/89/12/952608912.db2.gz FTORYKIDRZDFQT-MNOVXSKESA-N -1 3 378.400 0.819 20 30 GCEDHM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@@H]1Nc1nccnc1C#N ZINC001571135837 952608915 /nfs/dbraw/zinc/60/89/15/952608915.db2.gz FTORYKIDRZDFQT-MNOVXSKESA-N -1 3 378.400 0.819 20 30 GCEDHM N#Cc1cncc(NC[C@@H]2CCC[C@H]2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001571135964 952610694 /nfs/dbraw/zinc/61/06/94/952610694.db2.gz JLVVPAHFVOVQRV-CMPLNLGQSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1cncc(NC[C@@H]2CCC[C@H]2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001571135964 952610699 /nfs/dbraw/zinc/61/06/99/952610699.db2.gz JLVVPAHFVOVQRV-CMPLNLGQSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1cncc(NC[C@H]2CCC[C@H]2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001571135967 952610762 /nfs/dbraw/zinc/61/07/62/952610762.db2.gz JLVVPAHFVOVQRV-ZYHUDNBSSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1cncc(NC[C@H]2CCC[C@H]2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001571135967 952610765 /nfs/dbraw/zinc/61/07/65/952610765.db2.gz JLVVPAHFVOVQRV-ZYHUDNBSSA-N -1 3 378.400 0.867 20 30 GCEDHM Cc1cc(C#N)nc(N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571135935 952611164 /nfs/dbraw/zinc/61/11/64/952611164.db2.gz IORIYVOLFPXYJO-LBPRGKRZSA-N -1 3 378.400 0.882 20 30 GCEDHM Cc1cc(C#N)nc(N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571135935 952611168 /nfs/dbraw/zinc/61/11/68/952611168.db2.gz IORIYVOLFPXYJO-LBPRGKRZSA-N -1 3 378.400 0.882 20 30 GCEDHM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1CNc1ccc(C#N)nn1 ZINC001571136094 952611847 /nfs/dbraw/zinc/61/18/47/952611847.db2.gz MHWUYVYXMAYAAG-WDEREUQCSA-N -1 3 378.400 0.677 20 30 GCEDHM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1CNc1ccc(C#N)nn1 ZINC001571136094 952611851 /nfs/dbraw/zinc/61/18/51/952611851.db2.gz MHWUYVYXMAYAAG-WDEREUQCSA-N -1 3 378.400 0.677 20 30 GCEDHM N#Cc1nccnc1NC[C@H]1CCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571136330 952612700 /nfs/dbraw/zinc/61/27/00/952612700.db2.gz OFUUPBMOQNPNNI-PWSUYJOCSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1nccnc1NC[C@H]1CCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571136330 952612702 /nfs/dbraw/zinc/61/27/02/952612702.db2.gz OFUUPBMOQNPNNI-PWSUYJOCSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@@H](Nc1cnc(C#N)cn1)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571136362 952612860 /nfs/dbraw/zinc/61/28/60/952612860.db2.gz OSSRUHIJHJAKDV-GHMZBOCLSA-N -1 3 378.400 0.819 20 30 GCEDHM C[C@@H](Nc1cnc(C#N)cn1)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571136362 952612863 /nfs/dbraw/zinc/61/28/63/952612863.db2.gz OSSRUHIJHJAKDV-GHMZBOCLSA-N -1 3 378.400 0.819 20 30 GCEDHM N#Cc1nccnc1NC[C@@H]1CCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571136326 952613056 /nfs/dbraw/zinc/61/30/56/952613056.db2.gz OFUUPBMOQNPNNI-CMPLNLGQSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1nccnc1NC[C@@H]1CCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571136326 952613061 /nfs/dbraw/zinc/61/30/61/952613061.db2.gz OFUUPBMOQNPNNI-CMPLNLGQSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1cncc(NCC2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)n1 ZINC001571136401 952614014 /nfs/dbraw/zinc/61/40/14/952614014.db2.gz PFCZPKRQIOTREO-UHFFFAOYSA-N -1 3 378.400 0.821 20 30 GCEDHM N#Cc1cncc(NCC2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)n1 ZINC001571136401 952614020 /nfs/dbraw/zinc/61/40/20/952614020.db2.gz PFCZPKRQIOTREO-UHFFFAOYSA-N -1 3 378.400 0.821 20 30 GCEDHM Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)n1 ZINC001571136989 952617370 /nfs/dbraw/zinc/61/73/70/952617370.db2.gz YYENUYWCBYYQJP-YMTOWFKASA-N -1 3 378.400 0.738 20 30 GCEDHM Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)n1 ZINC001571136989 952617377 /nfs/dbraw/zinc/61/73/77/952617377.db2.gz YYENUYWCBYYQJP-YMTOWFKASA-N -1 3 378.400 0.738 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571139427 952620529 /nfs/dbraw/zinc/62/05/29/952620529.db2.gz HMGCGVLJKLUHSP-KOLCDFICSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571139427 952620533 /nfs/dbraw/zinc/62/05/33/952620533.db2.gz HMGCGVLJKLUHSP-KOLCDFICSA-N -1 3 379.384 0.428 20 30 GCEDHM CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571141202 952631461 /nfs/dbraw/zinc/63/14/61/952631461.db2.gz VZYPWNLCCZLIGW-UKRRQHHQSA-N -1 3 379.384 0.095 20 30 GCEDHM CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571141202 952631464 /nfs/dbraw/zinc/63/14/64/952631464.db2.gz VZYPWNLCCZLIGW-UKRRQHHQSA-N -1 3 379.384 0.095 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571141669 952634724 /nfs/dbraw/zinc/63/47/24/952634724.db2.gz YIYOQSXVTYWJAF-WVSHTKLVSA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571141669 952634731 /nfs/dbraw/zinc/63/47/31/952634731.db2.gz YIYOQSXVTYWJAF-WVSHTKLVSA-N -1 3 379.384 0.333 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCN([C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)CC1 ZINC001571180978 952861363 /nfs/dbraw/zinc/86/13/63/952861363.db2.gz RZEADDNLFFRYDY-KGLIPLIRSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCN([C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)CC1 ZINC001571180978 952861375 /nfs/dbraw/zinc/86/13/75/952861375.db2.gz RZEADDNLFFRYDY-KGLIPLIRSA-N -1 3 381.444 0.144 20 30 GCEDHM N#CC1(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CCOCC1 ZINC001571206557 953053234 /nfs/dbraw/zinc/05/32/34/953053234.db2.gz QYOHAZRKMJRKSD-AWEZNQCLSA-N -1 3 382.428 0.985 20 30 GCEDHM N#CC1(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CCOCC1 ZINC001571206557 953053235 /nfs/dbraw/zinc/05/32/35/953053235.db2.gz QYOHAZRKMJRKSD-AWEZNQCLSA-N -1 3 382.428 0.985 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCOC2(CN(Cc3ccc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001571255836 953355418 /nfs/dbraw/zinc/35/54/18/953355418.db2.gz UYWHKYNGKIMQLZ-GFCCVEGCSA-N -1 3 385.403 0.579 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCOC2(CN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571255836 953355423 /nfs/dbraw/zinc/35/54/23/953355423.db2.gz UYWHKYNGKIMQLZ-GFCCVEGCSA-N -1 3 385.403 0.579 20 30 GCEDHM Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@H]3CC(=O)[O-])CC2)o1 ZINC001574418047 961335637 /nfs/dbraw/zinc/33/56/37/961335637.db2.gz IHFAGYCOIUNREH-AWEZNQCLSA-N -1 3 375.429 0.833 20 30 GCEDHM C#CCN(C(=O)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)C1CCN(C)CC1 ZINC001588458314 983483266 /nfs/dbraw/zinc/48/32/66/983483266.db2.gz MPYSABVGVPUKSX-LLVKDONJSA-N -1 3 378.454 0.575 20 30 GCEDHM C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)ccc1F ZINC001588847494 984364537 /nfs/dbraw/zinc/36/45/37/984364537.db2.gz ASBPUVXZXZAGJA-ZDUSSCGKSA-N -1 3 399.444 0.378 20 30 GCEDHM C=CCOC[C@H](NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C)C(=O)[O-] ZINC001588859969 984409714 /nfs/dbraw/zinc/40/97/14/984409714.db2.gz DDPVQFRUSJFGSB-INIZCTEOSA-N -1 3 399.451 0.949 20 30 GCEDHM CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@H](C(=O)[O-])C1 ZINC001598607328 993689133 /nfs/dbraw/zinc/68/91/33/993689133.db2.gz PBZXXMJCWGBRST-MGPQQGTHSA-N -1 3 395.460 0.403 20 30 GCEDHM CCN(CCO)CC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000557836706 530117831 /nfs/dbraw/zinc/11/78/31/530117831.db2.gz XRQRHUBABUAERM-UHFFFAOYSA-N -1 3 376.276 0.913 20 30 GCEDHM CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CCn2cnc(C#N)n2)c1 ZINC000285692496 530124213 /nfs/dbraw/zinc/12/42/13/530124213.db2.gz RTYAGUJLIZOBCY-UHFFFAOYSA-N -1 3 389.846 0.185 20 30 GCEDHM CN1CCN(C)[C@H](C[N-]S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000287112456 530222593 /nfs/dbraw/zinc/22/25/93/530222593.db2.gz ZNOXBLRUEZCELM-LLVKDONJSA-N -1 3 387.303 0.845 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)[N-][C@H]2CCN(c3cccc(Cl)c3)C2=O)CCO1 ZINC000409507706 530229743 /nfs/dbraw/zinc/22/97/43/530229743.db2.gz BBJJXZOPWPIJLX-KGLIPLIRSA-N -1 3 384.845 0.504 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)[N-][C@@H](Cc2ccccc2)[C@@H](O)C(F)F)CCO1 ZINC000410131197 530235098 /nfs/dbraw/zinc/23/50/98/530235098.db2.gz PZKHBOCLFPNYGA-HZSPNIEDSA-N -1 3 375.397 0.282 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3Cl)C2=O)CCO1 ZINC000410114620 530235262 /nfs/dbraw/zinc/23/52/62/530235262.db2.gz BNFJQYJOIVWWHZ-YPMHNXCESA-N -1 3 384.845 0.504 20 30 GCEDHM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]CC2(C#N)CC2)s1 ZINC000518661301 530237736 /nfs/dbraw/zinc/23/77/36/530237736.db2.gz BTGJVGNSXZATJH-UHFFFAOYSA-N -1 3 377.513 0.812 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(F)c1 ZINC000539386605 530252038 /nfs/dbraw/zinc/25/20/38/530252038.db2.gz PYIIZCIXIHJXCP-DOMZBBRYSA-N -1 3 388.442 0.712 20 30 GCEDHM CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1C[C@@H](O)C1 ZINC000600762113 530242068 /nfs/dbraw/zinc/24/20/68/530242068.db2.gz WDRNGBCQIRXIGX-BETUJISGSA-N -1 3 387.483 0.270 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1C[C@@H](O)C1 ZINC000600762373 530242183 /nfs/dbraw/zinc/24/21/83/530242183.db2.gz WTIRAQVQWHQPMA-RWMBFGLXSA-N -1 3 387.483 0.316 20 30 GCEDHM CS(=O)(=O)N1CCC([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000400186105 530245966 /nfs/dbraw/zinc/24/59/66/530245966.db2.gz CYJLBDPPIIILSO-UHFFFAOYSA-N -1 3 377.875 0.914 20 30 GCEDHM COCCNC(=O)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000286781203 530219721 /nfs/dbraw/zinc/21/97/21/530219721.db2.gz XCITVPGYHBKYHQ-UHFFFAOYSA-N -1 3 376.232 0.362 20 30 GCEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-][C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000285194142 530219752 /nfs/dbraw/zinc/21/97/52/530219752.db2.gz VRIYRVYSIRPGQP-LBPRGKRZSA-N -1 3 399.416 0.967 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H](O)[C@H]1CCOC1 ZINC000561518229 530279664 /nfs/dbraw/zinc/27/96/64/530279664.db2.gz WKDJNWKYCZIDEO-CABZTGNLSA-N -1 3 375.244 0.996 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(S(=O)(=O)CCO)cc2)s1 ZINC000435438934 530255575 /nfs/dbraw/zinc/25/55/75/530255575.db2.gz QRAPTSMNFIFEFW-UHFFFAOYSA-N -1 3 386.476 0.864 20 30 GCEDHM CS(=O)(=O)N1CCC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000408434195 530267234 /nfs/dbraw/zinc/26/72/34/530267234.db2.gz XJUJTBNOCBCGEH-JTQLQIEISA-N -1 3 377.875 0.914 20 30 GCEDHM CC[C@](C)(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000569744841 530310761 /nfs/dbraw/zinc/31/07/61/530310761.db2.gz QGUPWPOZXZKFGH-FZMZJTMJSA-N -1 3 375.472 0.316 20 30 GCEDHM CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCCO1 ZINC000570583233 530321690 /nfs/dbraw/zinc/32/16/90/530321690.db2.gz ZUAVHDQPESUZAS-ZDUSSCGKSA-N -1 3 387.483 0.678 20 30 GCEDHM CN(C)S(=O)(=O)c1ccccc1C[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000582574677 530328846 /nfs/dbraw/zinc/32/88/46/530328846.db2.gz IWBOVXJKRIHMMR-UHFFFAOYSA-N -1 3 380.451 0.682 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@]2(O)CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000565235666 530351677 /nfs/dbraw/zinc/35/16/77/530351677.db2.gz RLAXBJSPRTVFIA-GFCCVEGCSA-N -1 3 398.384 0.405 20 30 GCEDHM COC(=O)[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000565460495 530351977 /nfs/dbraw/zinc/35/19/77/530351977.db2.gz ZGXNNOJPPPPTJM-CYBMUJFWSA-N -1 3 387.845 0.364 20 30 GCEDHM N#Cc1cnccc1[N-]C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000583524084 530353890 /nfs/dbraw/zinc/35/38/90/530353890.db2.gz ZJNDBDXOAZTJBH-UHFFFAOYSA-N -1 3 378.435 0.710 20 30 GCEDHM N#CC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cnc(C3CC3)nc2)C1 ZINC000594638775 530433285 /nfs/dbraw/zinc/43/32/85/530433285.db2.gz HYWHKBKNRBSWEY-UHFFFAOYSA-N -1 3 385.471 0.271 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)CO ZINC000594634202 530435717 /nfs/dbraw/zinc/43/57/17/530435717.db2.gz NPERAGARTQVEQK-NEPJUHHUSA-N -1 3 375.472 0.172 20 30 GCEDHM CC[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCOC1 ZINC000594634132 530435740 /nfs/dbraw/zinc/43/57/40/530435740.db2.gz KLUILPIFZGPJBM-QWHCGFSZSA-N -1 3 387.483 0.676 20 30 GCEDHM C[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000594633896 530435821 /nfs/dbraw/zinc/43/58/21/530435821.db2.gz VWXVXMPFLFHLBO-QWHCGFSZSA-N -1 3 387.483 0.582 20 30 GCEDHM C[C@H](C[C@H]1CCOC1)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000594633894 530435969 /nfs/dbraw/zinc/43/59/69/530435969.db2.gz VWXVXMPFLFHLBO-CHWSQXEVSA-N -1 3 387.483 0.582 20 30 GCEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCC1(C)COC1 ZINC000594634486 530436226 /nfs/dbraw/zinc/43/62/26/530436226.db2.gz STEIVKLIZOOEHJ-UHFFFAOYSA-N -1 3 387.483 0.582 20 30 GCEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCOC1 ZINC000594635408 530436575 /nfs/dbraw/zinc/43/65/75/530436575.db2.gz PVCHXTANKNKHFT-ZDUSSCGKSA-N -1 3 387.483 0.882 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCOC1 ZINC000594633315 530434811 /nfs/dbraw/zinc/43/48/11/530434811.db2.gz GJXNLHPPOLLUEN-STQMWFEESA-N -1 3 387.483 0.534 20 30 GCEDHM C[C@H](O)CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C(C)(C)C#N ZINC000594633419 530435066 /nfs/dbraw/zinc/43/50/66/530435066.db2.gz KOWJMYSYYPFECO-LBPRGKRZSA-N -1 3 389.499 0.658 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCC[C@H]1CCO ZINC000594633708 530435384 /nfs/dbraw/zinc/43/53/84/530435384.db2.gz AUQNBECDQSEKLZ-QWHCGFSZSA-N -1 3 387.483 0.318 20 30 GCEDHM CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1CCOC1 ZINC000594633543 530435427 /nfs/dbraw/zinc/43/54/27/530435427.db2.gz QKEUXWYTPJZDSI-CYBMUJFWSA-N -1 3 387.483 0.536 20 30 GCEDHM N#CC1(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)CCCCC1 ZINC000595962110 530451174 /nfs/dbraw/zinc/45/11/74/530451174.db2.gz WQVPWLRWWHSLOO-UHFFFAOYSA-N -1 3 389.503 0.935 20 30 GCEDHM C[C@H](O)[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000595961557 530451335 /nfs/dbraw/zinc/45/13/35/530451335.db2.gz RXQPQWHLVDSOHU-GZBFAFLISA-N -1 3 393.531 0.163 20 30 GCEDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](S(C)(=O)=O)C2)s1 ZINC000330431279 530519734 /nfs/dbraw/zinc/51/97/34/530519734.db2.gz WBWVDMMXXRZVIC-SNVBAGLBSA-N -1 3 381.501 0.189 20 30 GCEDHM CC#CC[C@H](CO)[N-]S(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 ZINC000645884174 530550943 /nfs/dbraw/zinc/55/09/43/530550943.db2.gz XBAPENFFBVHKFP-GFCCVEGCSA-N -1 3 394.540 0.283 20 30 GCEDHM COC(=O)[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000573666890 530525056 /nfs/dbraw/zinc/52/50/56/530525056.db2.gz ITXPOLHPJJNEAG-CYBMUJFWSA-N -1 3 387.845 0.364 20 30 GCEDHM CO[C@@H](C)[C@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000563431401 530525941 /nfs/dbraw/zinc/52/59/41/530525941.db2.gz QJKXFXFETVNYFA-RYUDHWBXSA-N -1 3 387.483 0.723 20 30 GCEDHM CC(F)(F)C[N-]S(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 ZINC000566629348 530532732 /nfs/dbraw/zinc/53/27/32/530532732.db2.gz FCKBAYOYYOUOIP-UHFFFAOYSA-N -1 3 392.409 0.658 20 30 GCEDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCN(CC(C)(C)O)CC2)s1 ZINC000330960595 530534201 /nfs/dbraw/zinc/53/42/01/530534201.db2.gz BFMOQKMQPSMAEI-UHFFFAOYSA-N -1 3 390.531 0.459 20 30 GCEDHM CC(F)(F)C[N-]S(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 ZINC000566807325 530534677 /nfs/dbraw/zinc/53/46/77/530534677.db2.gz MLUDRYLCFVDGMU-UHFFFAOYSA-N -1 3 379.410 0.955 20 30 GCEDHM C[C@@H](CO)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000567061858 530537757 /nfs/dbraw/zinc/53/77/57/530537757.db2.gz ICWLMXSMTGZRCG-FZMZJTMJSA-N -1 3 389.499 0.562 20 30 GCEDHM N#CCN(CC#N)C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000154099142 530538881 /nfs/dbraw/zinc/53/88/81/530538881.db2.gz DWJPTROGABLKIA-UHFFFAOYSA-N -1 3 377.245 0.665 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCCO1 ZINC000568256018 530556414 /nfs/dbraw/zinc/55/64/14/530556414.db2.gz WVAJNOYMBISMQV-STQMWFEESA-N -1 3 387.483 0.676 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1CCCO1 ZINC000568256015 530556428 /nfs/dbraw/zinc/55/64/28/530556428.db2.gz WVAJNOYMBISMQV-CHWSQXEVSA-N -1 3 387.483 0.676 20 30 GCEDHM C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F ZINC000286502080 530561582 /nfs/dbraw/zinc/56/15/82/530561582.db2.gz RHLJHGGCJWLCMH-UHFFFAOYSA-N -1 3 379.431 0.882 20 30 GCEDHM CO[C@H](C)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000568646524 530561726 /nfs/dbraw/zinc/56/17/26/530561726.db2.gz IDNLBHSLCXDCCD-LLVKDONJSA-N -1 3 375.472 0.580 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000287262405 530562239 /nfs/dbraw/zinc/56/22/39/530562239.db2.gz QIQFRUOEYYKDJE-UHFFFAOYSA-N -1 3 379.435 0.456 20 30 GCEDHM C=C[C@@H](CO)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000290275558 530564502 /nfs/dbraw/zinc/56/45/02/530564502.db2.gz UWDRDEDUEXWCKA-QMMMGPOBSA-N -1 3 384.273 0.678 20 30 GCEDHM CCS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000438905765 530572639 /nfs/dbraw/zinc/57/26/39/530572639.db2.gz YKGGOPCCNFLRGL-UHFFFAOYSA-N -1 3 388.427 0.026 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H](O)C1CCC1 ZINC000573020393 530573995 /nfs/dbraw/zinc/57/39/95/530573995.db2.gz JIYSWSPBRKAURE-CYBMUJFWSA-N -1 3 387.483 0.270 20 30 GCEDHM COCC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C1(C#N)CCC1 ZINC000573020346 530574056 /nfs/dbraw/zinc/57/40/56/530574056.db2.gz IAROJORSCWPEKN-UHFFFAOYSA-N -1 3 387.483 0.678 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CC[C@H](C)O1 ZINC000573104834 530575208 /nfs/dbraw/zinc/57/52/08/530575208.db2.gz UOAZVNHRBXHCNI-AVGNSLFASA-N -1 3 387.483 0.723 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CC[C@@H](C)O1 ZINC000573104839 530575764 /nfs/dbraw/zinc/57/57/64/530575764.db2.gz UOAZVNHRBXHCNI-XQQFMLRXSA-N -1 3 387.483 0.723 20 30 GCEDHM CCN(CCO)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000583575690 530582085 /nfs/dbraw/zinc/58/20/85/530582085.db2.gz PATQUUMQGVPDFZ-UHFFFAOYSA-N -1 3 375.472 0.270 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 ZINC000451855253 530590778 /nfs/dbraw/zinc/59/07/78/530590778.db2.gz AWSDQFDNVYSRTK-OLZOCXBDSA-N -1 3 394.540 0.852 20 30 GCEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC ZINC000452018706 530596461 /nfs/dbraw/zinc/59/64/61/530596461.db2.gz CYXQYRMNGOJVGL-SECBINFHSA-N -1 3 377.440 0.927 20 30 GCEDHM C[C@@H](O)CCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000575429931 530600081 /nfs/dbraw/zinc/60/00/81/530600081.db2.gz HWNIFZDLGXZJRR-GFCCVEGCSA-N -1 3 389.499 0.658 20 30 GCEDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CC#N)CC#N)C1CC1 ZINC000575816238 530601559 /nfs/dbraw/zinc/60/15/59/530601559.db2.gz MBRJPESMOYKOMO-GFCCVEGCSA-N -1 3 382.467 0.801 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CO[C@H](C)C1 ZINC000580582370 530615702 /nfs/dbraw/zinc/61/57/02/530615702.db2.gz QKRVCEIUTSFAGG-AGIUHOORSA-N -1 3 387.483 0.723 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CO[C@@H](C)C1 ZINC000580582374 530615713 /nfs/dbraw/zinc/61/57/13/530615713.db2.gz QKRVCEIUTSFAGG-RWMBFGLXSA-N -1 3 387.483 0.723 20 30 GCEDHM CO[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-][C@@H](C)C#N)C1 ZINC000576887594 530613478 /nfs/dbraw/zinc/61/34/78/530613478.db2.gz KIPCWVXYIZBHSS-XQQFMLRXSA-N -1 3 387.483 0.723 20 30 GCEDHM CO[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-][C@@H](C)C#N)C1 ZINC000576887596 530613736 /nfs/dbraw/zinc/61/37/36/530613736.db2.gz KIPCWVXYIZBHSS-YNEHKIRRSA-N -1 3 387.483 0.723 20 30 GCEDHM C[C@@H]1C[C@@H](CNS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)[C@@H](C)O1 ZINC000576956888 530613929 /nfs/dbraw/zinc/61/39/29/530613929.db2.gz DRMDXJPEJTWEGI-UPJWGTAASA-N -1 3 387.483 0.580 20 30 GCEDHM CCOC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000588129048 530623503 /nfs/dbraw/zinc/62/35/03/530623503.db2.gz ZNXCDXPKQYSXHC-CYBMUJFWSA-N -1 3 391.243 0.913 20 30 GCEDHM C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]nc1C ZINC000348379542 530629855 /nfs/dbraw/zinc/62/98/55/530629855.db2.gz JDNVECUKFJXEQF-OCCSQVGLSA-N -1 3 392.503 0.503 20 30 GCEDHM C=CCC[C@H](CO)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000458736807 530632957 /nfs/dbraw/zinc/63/29/57/530632957.db2.gz VQBXWGIISKHNCM-GFCCVEGCSA-N -1 3 377.413 0.869 20 30 GCEDHM C=CCOC[C@@H]1NC(=O)N(CC[N-]S(=O)(=O)c2ccc(Cl)s2)C1=O ZINC000348626658 530633369 /nfs/dbraw/zinc/63/33/69/530633369.db2.gz SEMHMWWHQAFSMU-VIFPVBQESA-N -1 3 393.874 0.803 20 30 GCEDHM CCOC1CC(N(C)S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C1 ZINC000349462585 530640282 /nfs/dbraw/zinc/64/02/82/530640282.db2.gz YHWVCMNICDRLAA-UHFFFAOYSA-N -1 3 387.483 0.676 20 30 GCEDHM CCN(C[C@@H]1CCCO1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349465547 530642224 /nfs/dbraw/zinc/64/22/24/530642224.db2.gz DWRRVKQITGTXMN-ZDUSSCGKSA-N -1 3 387.483 0.678 20 30 GCEDHM CC1(C#N)CN(S(=O)(=O)CCCS(=O)(=O)[N-]C2(C#N)CCCCC2)C1 ZINC000349472682 530645340 /nfs/dbraw/zinc/64/53/40/530645340.db2.gz GYZHTORVOZAMJU-UHFFFAOYSA-N -1 3 388.515 0.698 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCOCC(F)(F)C1 ZINC000349479170 530648854 /nfs/dbraw/zinc/64/88/54/530648854.db2.gz IKORUTCHJCKMQT-UHFFFAOYSA-N -1 3 395.409 0.145 20 30 GCEDHM CO[C@@H](C)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000349481174 530650123 /nfs/dbraw/zinc/65/01/23/530650123.db2.gz MOLYAINEIUTVAV-RYUDHWBXSA-N -1 3 375.472 0.532 20 30 GCEDHM CCOC[C@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C1 ZINC000349482837 530650896 /nfs/dbraw/zinc/65/08/96/530650896.db2.gz UBPOOFLRWNOSKO-ZDUSSCGKSA-N -1 3 387.483 0.536 20 30 GCEDHM CCN(CC(C)(C)O)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000349483128 530650977 /nfs/dbraw/zinc/65/09/77/530650977.db2.gz VIBXQEBMNKXMGK-LBPRGKRZSA-N -1 3 389.499 0.658 20 30 GCEDHM C[C@H](N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N)C(C)(C)O ZINC000349483883 530651464 /nfs/dbraw/zinc/65/14/64/530651464.db2.gz XDIGITVQOXHNSY-NSHDSACASA-N -1 3 375.472 0.268 20 30 GCEDHM C[C@@]1(O)CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CC1 ZINC000349485126 530651541 /nfs/dbraw/zinc/65/15/41/530651541.db2.gz ZMXRNOIOZUYPGA-OAHLLOKOSA-N -1 3 387.483 0.414 20 30 GCEDHM CS[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)C1 ZINC000349490235 530654336 /nfs/dbraw/zinc/65/43/36/530654336.db2.gz GPUCUIUVUXUVJI-TZMCWYRMSA-N -1 3 395.572 0.755 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCc2n[nH]cc21 ZINC000349494095 530656304 /nfs/dbraw/zinc/65/63/04/530656304.db2.gz NLALRKGROWAZLZ-ZDUSSCGKSA-N -1 3 389.503 0.350 20 30 GCEDHM CN(C)C1CN(S(=O)(=O)CCCS(=O)(=O)[N-]C2(C#N)CCCCC2)C1 ZINC000349508947 530664823 /nfs/dbraw/zinc/66/48/23/530664823.db2.gz XTKQLUJSSUEZLK-UHFFFAOYSA-N -1 3 392.547 0.098 20 30 GCEDHM C[C@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1F ZINC000349517584 530670056 /nfs/dbraw/zinc/67/00/56/530670056.db2.gz LPOSFLUCXULVQX-LLVKDONJSA-N -1 3 378.451 0.774 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCO[C@H](C)C1 ZINC000349520230 530671161 /nfs/dbraw/zinc/67/11/61/530671161.db2.gz JIUJFSJGFZZMBR-KGLIPLIRSA-N -1 3 381.520 0.285 20 30 GCEDHM N#CC1([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2CO)CCCCC1 ZINC000349522506 530671761 /nfs/dbraw/zinc/67/17/61/530671761.db2.gz VMDPCGPWNFMJRO-CQSZACIVSA-N -1 3 393.531 0.309 20 30 GCEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H](O)CC1 ZINC000349529248 530674510 /nfs/dbraw/zinc/67/45/10/530674510.db2.gz VVOATRNBGCOSRM-KBPBESRZSA-N -1 3 395.547 0.411 20 30 GCEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)C1 ZINC000349531537 530675373 /nfs/dbraw/zinc/67/53/73/530675373.db2.gz KEBNNVCTAFTWHL-SOUVJXGZSA-N -1 3 393.531 0.165 20 30 GCEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)C1 ZINC000349531535 530675590 /nfs/dbraw/zinc/67/55/90/530675590.db2.gz KEBNNVCTAFTWHL-KKUMJFAQSA-N -1 3 393.531 0.165 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCSCC1 ZINC000349534892 530677681 /nfs/dbraw/zinc/67/76/81/530677681.db2.gz UVWBDTFFYXHVPA-ZDUSSCGKSA-N -1 3 381.545 0.367 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCSC1 ZINC000349535080 530678369 /nfs/dbraw/zinc/67/83/69/530678369.db2.gz JZEKJZMXECKPPV-JSGCOSHPSA-N -1 3 395.572 0.803 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCSC1 ZINC000349535079 530678378 /nfs/dbraw/zinc/67/83/78/530678378.db2.gz JZEKJZMXECKPPV-GXTWGEPZSA-N -1 3 395.572 0.803 20 30 GCEDHM N#CC1([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCSC2)CCCCC1 ZINC000349554984 530690634 /nfs/dbraw/zinc/69/06/34/530690634.db2.gz SOHUMGWHSFVECB-CYBMUJFWSA-N -1 3 395.572 0.947 20 30 GCEDHM C=CCn1c(S[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)n[n-]c1=O ZINC000470822867 530697165 /nfs/dbraw/zinc/69/71/65/530697165.db2.gz SWBZRLBRAZEORT-SECBINFHSA-N -1 3 383.455 0.936 20 30 GCEDHM C=CCn1c(SCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)n[n-]c1=O ZINC000470835988 530697194 /nfs/dbraw/zinc/69/71/94/530697194.db2.gz JVZJOGXVKXPDFO-UHFFFAOYSA-N -1 3 383.455 0.856 20 30 GCEDHM C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n[n-]c1=O ZINC000470836930 530697377 /nfs/dbraw/zinc/69/73/77/530697377.db2.gz RJJZEOGCIDXDGE-VIFPVBQESA-N -1 3 383.455 0.936 20 30 GCEDHM N#C[C@H]1CC[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cncc(F)c2)C1 ZINC000349570426 530698924 /nfs/dbraw/zinc/69/89/24/530698924.db2.gz DIIJUIKNIZMFRO-WCQYABFASA-N -1 3 390.462 0.964 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCCS(=O)(=O)N1CCSCC1 ZINC000349591038 530708822 /nfs/dbraw/zinc/70/88/22/530708822.db2.gz MVMOSYNMNLFYIB-CQSZACIVSA-N -1 3 395.572 0.757 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCCS(=O)(=O)N1CCCCO1 ZINC000349608706 530719163 /nfs/dbraw/zinc/71/91/63/530719163.db2.gz NDILUFYKRGFYKX-CQSZACIVSA-N -1 3 379.504 0.735 20 30 GCEDHM C[C@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccc2c(n1)CCC2 ZINC000349611615 530720038 /nfs/dbraw/zinc/72/00/38/530720038.db2.gz HJSLLQGIVGKJLP-GFCCVEGCSA-N -1 3 386.499 0.924 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C(N)=O)O2)c(C(F)(F)F)c1 ZINC000268323650 530684716 /nfs/dbraw/zinc/68/47/16/530684716.db2.gz GNOLDNHUAHGSCI-ONGXEEELSA-N -1 3 377.344 0.888 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCCS(=O)(=O)N1CC(C)(C#N)C1 ZINC000349627971 530724099 /nfs/dbraw/zinc/72/40/99/530724099.db2.gz WNGPMAMHPUXMTR-OAHLLOKOSA-N -1 3 388.515 0.554 20 30 GCEDHM C=C(C)COCCNC(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000475481615 530725184 /nfs/dbraw/zinc/72/51/84/530725184.db2.gz SVLFMYIGJSYRQI-UHFFFAOYSA-N -1 3 389.499 0.371 20 30 GCEDHM CC[C@@H](CC#N)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000578206336 530728510 /nfs/dbraw/zinc/72/85/10/530728510.db2.gz PKXPRVYNJSDPHH-LBPRGKRZSA-N -1 3 382.467 0.992 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@H](O)C1(C)C ZINC000578549771 530733085 /nfs/dbraw/zinc/73/30/85/530733085.db2.gz ZIKWPUGSOKLXSR-KGLIPLIRSA-N -1 3 387.483 0.268 20 30 GCEDHM Cn1ncc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1C#N ZINC000441397777 530755752 /nfs/dbraw/zinc/75/57/52/530755752.db2.gz GEQQMUVLFNWEOT-UHFFFAOYSA-N -1 3 385.808 0.793 20 30 GCEDHM C[C@@H]1C[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CS1 ZINC000581559342 530759792 /nfs/dbraw/zinc/75/97/92/530759792.db2.gz VVCXNCOAKJSVOW-MNOVXSKESA-N -1 3 375.497 0.661 20 30 GCEDHM CS[C@@H](C)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000581618474 530760958 /nfs/dbraw/zinc/76/09/58/530760958.db2.gz DGULGBVDSKEURC-QWRGUYRKSA-N -1 3 377.513 0.907 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCCOCC1 ZINC000581954895 530769054 /nfs/dbraw/zinc/76/90/54/530769054.db2.gz OCBJQVJFGXWDPU-QWHCGFSZSA-N -1 3 387.483 0.724 20 30 GCEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1)C(=O)OC ZINC000481593628 530779254 /nfs/dbraw/zinc/77/92/54/530779254.db2.gz MDAWLVHWHIICNG-NSHDSACASA-N -1 3 388.833 0.714 20 30 GCEDHM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000445029708 530802105 /nfs/dbraw/zinc/80/21/05/530802105.db2.gz CJLBAHNJLASRHV-OLZOCXBDSA-N -1 3 375.447 0.836 20 30 GCEDHM CN(C)S(=O)(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F ZINC000508070779 530818083 /nfs/dbraw/zinc/81/80/83/530818083.db2.gz YAJCRRTVJYWCIR-LLVKDONJSA-N -1 3 385.389 0.659 20 30 GCEDHM CCN(CCO)CC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416463272 530846998 /nfs/dbraw/zinc/84/69/98/530846998.db2.gz BLXIZVXRMCRDPQ-UHFFFAOYSA-N -1 3 376.276 0.913 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)C(C)(C)C1 ZINC000349459878 530874696 /nfs/dbraw/zinc/87/46/96/530874696.db2.gz HYRGROVBIRJJDN-DOMZBBRYSA-N -1 3 393.531 0.021 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCCS(=O)(=O)N1CC[C@H](F)C1 ZINC000349591536 530898209 /nfs/dbraw/zinc/89/82/09/530898209.db2.gz ODAAFCGDWLHHSQ-GXTWGEPZSA-N -1 3 381.495 0.752 20 30 GCEDHM CC(C)(C)NS(=O)(=O)CC[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000534306000 530903271 /nfs/dbraw/zinc/90/32/71/530903271.db2.gz WKIVJQGRPUOAOO-UHFFFAOYSA-N -1 3 377.463 0.835 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)NC1(C)CCOCC1 ZINC000349555998 530905172 /nfs/dbraw/zinc/90/51/72/530905172.db2.gz OFCCEGDWWIEAFI-OAHLLOKOSA-N -1 3 393.531 0.477 20 30 GCEDHM CS(=O)(=O)N1CC[C@H](C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000274809498 530905407 /nfs/dbraw/zinc/90/54/07/530905407.db2.gz STOOTKDJKGQTLF-LLVKDONJSA-N -1 3 377.875 0.771 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)NC1CCOCC1 ZINC000349602115 530910220 /nfs/dbraw/zinc/91/02/20/530910220.db2.gz LCBCHLUVKQYVGJ-AWEZNQCLSA-N -1 3 379.504 0.087 20 30 GCEDHM COC[C@H]1CCCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000349478009 530876226 /nfs/dbraw/zinc/87/62/26/530876226.db2.gz GIOADMFXIRCFLJ-QWHCGFSZSA-N -1 3 387.483 0.676 20 30 GCEDHM COC(=O)CNC(=O)C[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594741401 530878505 /nfs/dbraw/zinc/87/85/05/530878505.db2.gz CGXIQXZMWIJOKS-UHFFFAOYSA-N -1 3 381.435 0.649 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@]2(CCOC2)C1 ZINC000349486181 530878754 /nfs/dbraw/zinc/87/87/54/530878754.db2.gz BJAOCQPOZVNUSK-CABCVRRESA-N -1 3 393.531 0.286 20 30 GCEDHM N#C[C@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cncc(F)c2)C1 ZINC000349490187 530879239 /nfs/dbraw/zinc/87/92/39/530879239.db2.gz GLJAUMHDRHEUIS-CYBMUJFWSA-N -1 3 394.425 0.620 20 30 GCEDHM C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)[C@H]1CO ZINC000349491536 530880026 /nfs/dbraw/zinc/88/00/26/530880026.db2.gz JENACJYTKBENBC-IPYPFGDCSA-N -1 3 393.531 0.021 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H](O)CC1 ZINC000349529774 530880613 /nfs/dbraw/zinc/88/06/13/530880613.db2.gz WRNTUQDBHQVAMQ-DZGCQCFKSA-N -1 3 393.531 0.165 20 30 GCEDHM CS(=O)(=O)CC1(CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 ZINC000594791645 530882791 /nfs/dbraw/zinc/88/27/91/530882791.db2.gz QRSZOPKOWRNCOI-UHFFFAOYSA-N -1 3 387.439 0.960 20 30 GCEDHM CS(=O)(=O)N1CCC[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000443024752 530888408 /nfs/dbraw/zinc/88/84/08/530888408.db2.gz UUBTWPCJLSPHRR-JTQLQIEISA-N -1 3 388.427 0.169 20 30 GCEDHM CN([C@@H]1CCSC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349466073 530889873 /nfs/dbraw/zinc/88/98/73/530889873.db2.gz FMFILRUTJOZATO-LLVKDONJSA-N -1 3 375.497 0.614 20 30 GCEDHM CC[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)C[C@H]1O ZINC000349466211 530890432 /nfs/dbraw/zinc/89/04/32/530890432.db2.gz QFZWHHUCVOSAJX-UMVBOHGHSA-N -1 3 393.531 0.021 20 30 GCEDHM CC[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)C[C@@H]1O ZINC000349466209 530890445 /nfs/dbraw/zinc/89/04/45/530890445.db2.gz QFZWHHUCVOSAJX-IPYPFGDCSA-N -1 3 393.531 0.021 20 30 GCEDHM C[C@H]1SCC[C@@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349468699 530890469 /nfs/dbraw/zinc/89/04/69/530890469.db2.gz JELVCFVCHFPCAS-MNOVXSKESA-N -1 3 375.497 0.661 20 30 GCEDHM CN1C(=O)CC[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1=O ZINC000425217888 530891647 /nfs/dbraw/zinc/89/16/47/530891647.db2.gz CHZBZKSYASIETL-SNVBAGLBSA-N -1 3 386.227 0.746 20 30 GCEDHM CNS(=O)(=O)c1cccc([C@H](C)[N-]S(=O)(=O)c2cccnc2C#N)c1 ZINC000428251332 530897271 /nfs/dbraw/zinc/89/72/71/530897271.db2.gz ZDDVNJVGGYCOCG-NSHDSACASA-N -1 3 380.451 0.901 20 30 GCEDHM N#Cc1ncccc1S(=O)(=O)[N-]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000428404148 530897680 /nfs/dbraw/zinc/89/76/80/530897680.db2.gz QEVMKIRYHWMOER-JTQLQIEISA-N -1 3 387.464 0.128 20 30 GCEDHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CC(=O)NCC#N ZINC000511029444 530932116 /nfs/dbraw/zinc/93/21/16/530932116.db2.gz LCHAFIBBSLHFLI-UHFFFAOYSA-N -1 3 375.834 0.673 20 30 GCEDHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(=O)c2ccc(C#N)cc2)cn1 ZINC000556396078 530933690 /nfs/dbraw/zinc/93/36/90/530933690.db2.gz KDJRKOSNJDABIF-UHFFFAOYSA-N -1 3 379.419 0.518 20 30 GCEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCS(=O)(=O)CCc1ccccc1 ZINC000282139396 530923287 /nfs/dbraw/zinc/92/32/87/530923287.db2.gz WDCSJXVLIRTHGS-UHFFFAOYSA-N -1 3 379.463 0.889 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCc2nnnn2CC1 ZINC000333858877 530924518 /nfs/dbraw/zinc/92/45/18/530924518.db2.gz PJPCCCDFYDSALH-SECBINFHSA-N -1 3 397.258 0.991 20 30 GCEDHM CC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N)C(C)(C)O ZINC000571820622 530981906 /nfs/dbraw/zinc/98/19/06/530981906.db2.gz GUXCOPCTFGAXDJ-SMDDNHRTSA-N -1 3 389.499 0.705 20 30 GCEDHM C[C@@H](O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C1(C#N)CCC1 ZINC000572180458 530985971 /nfs/dbraw/zinc/98/59/71/530985971.db2.gz YJMJANZZQXWCAG-GFCCVEGCSA-N -1 3 387.483 0.412 20 30 GCEDHM C=CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000267766404 531004915 /nfs/dbraw/zinc/00/49/15/531004915.db2.gz RSYSUNTYYLQMKC-GFCCVEGCSA-N -1 3 390.458 0.549 20 30 GCEDHM C=CCNC(=O)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000272007779 531006274 /nfs/dbraw/zinc/00/62/74/531006274.db2.gz FRBOKOMUQHTOMR-UHFFFAOYSA-N -1 3 393.462 0.556 20 30 GCEDHM C=CCNC(=O)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000271996088 531006345 /nfs/dbraw/zinc/00/63/45/531006345.db2.gz CLYULHCCLYAFOR-UHFFFAOYSA-N -1 3 379.435 0.168 20 30 GCEDHM C#CCN1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000271085096 531006367 /nfs/dbraw/zinc/00/63/67/531006367.db2.gz IRAHCTNUHFQLCB-UHFFFAOYSA-N -1 3 375.447 0.137 20 30 GCEDHM C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000272860868 531007659 /nfs/dbraw/zinc/00/76/59/531007659.db2.gz QJHBJXMNEKMBEE-UHFFFAOYSA-N -1 3 396.874 0.083 20 30 GCEDHM C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000272866647 531007679 /nfs/dbraw/zinc/00/76/79/531007679.db2.gz RPYLDWKMTXMVIX-UHFFFAOYSA-N -1 3 392.411 0.245 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCS(=O)(=O)CC=C)ccc1F ZINC000272831045 531007749 /nfs/dbraw/zinc/00/77/49/531007749.db2.gz HYHUQRNUNNTZNT-UHFFFAOYSA-N -1 3 390.458 0.621 20 30 GCEDHM N#CCCC[C@@H](N)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000424183124 531028813 /nfs/dbraw/zinc/02/88/13/531028813.db2.gz IHJDVPYCJILLPX-GFCCVEGCSA-N -1 3 376.841 0.895 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CS(=O)(=O)CC)ccc1F ZINC000264845185 531003478 /nfs/dbraw/zinc/00/34/78/531003478.db2.gz ANGKWWXBIKTMEH-NSHDSACASA-N -1 3 392.474 0.843 20 30 GCEDHM C=CCN(C(=O)C[N-]S(=O)(=O)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000565570273 531187787 /nfs/dbraw/zinc/18/77/87/531187787.db2.gz GDUZFDHDIYJBEY-GFCCVEGCSA-N -1 3 390.458 0.306 20 30 GCEDHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C#N ZINC000565902817 531191633 /nfs/dbraw/zinc/19/16/33/531191633.db2.gz BRJVKSADIXMZEN-AGIUHOORSA-N -1 3 389.499 0.921 20 30 GCEDHM O=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)N[C@@H]1CCCN([O-])C1=O ZINC000529427477 531194088 /nfs/dbraw/zinc/19/40/88/531194088.db2.gz KHIVUJVQFYBSRK-LLVKDONJSA-N -1 3 379.797 0.254 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)N[C@](C)(COC)C1=O ZINC000735426285 598828213 /nfs/dbraw/zinc/82/82/13/598828213.db2.gz OPIZLZSMGLTLFB-GOSISDBHSA-N -1 3 385.428 0.769 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C(=O)N[C@](C)(COC)C1=O ZINC000735426285 598828214 /nfs/dbraw/zinc/82/82/14/598828214.db2.gz OPIZLZSMGLTLFB-GOSISDBHSA-N -1 3 385.428 0.769 20 30 GCEDHM C#CCN(CC)C(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000735374152 598862255 /nfs/dbraw/zinc/86/22/55/598862255.db2.gz DKKDMOJNUQWNAL-CQSZACIVSA-N -1 3 381.396 0.553 20 30 GCEDHM C#CCN(CC)C(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735374152 598862257 /nfs/dbraw/zinc/86/22/57/598862257.db2.gz DKKDMOJNUQWNAL-CQSZACIVSA-N -1 3 381.396 0.553 20 30 GCEDHM CC[C@@](C)(C#N)NC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736314058 598867217 /nfs/dbraw/zinc/86/72/17/598867217.db2.gz QQSHEZRGZVAZED-ACJLOTCBSA-N -1 3 396.411 0.880 20 30 GCEDHM CC[C@@](C)(C#N)NC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736314058 598867219 /nfs/dbraw/zinc/86/72/19/598867219.db2.gz QQSHEZRGZVAZED-ACJLOTCBSA-N -1 3 396.411 0.880 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCN1C(=O)CCC1=O ZINC000735418224 598879368 /nfs/dbraw/zinc/87/93/68/598879368.db2.gz DWTZDXGHMIEWKT-UHFFFAOYSA-N -1 3 383.412 0.713 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCN1C(=O)CCC1=O ZINC000735418224 598879369 /nfs/dbraw/zinc/87/93/69/598879369.db2.gz DWTZDXGHMIEWKT-UHFFFAOYSA-N -1 3 383.412 0.713 20 30 GCEDHM C#CCSCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735388330 598909329 /nfs/dbraw/zinc/90/93/29/598909329.db2.gz ZEODSSXUMVCJEI-UHFFFAOYSA-N -1 3 396.379 0.889 20 30 GCEDHM C#CCSCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735388330 598909330 /nfs/dbraw/zinc/90/93/30/598909330.db2.gz ZEODSSXUMVCJEI-UHFFFAOYSA-N -1 3 396.379 0.889 20 30 GCEDHM CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CC1 ZINC000736658338 598919731 /nfs/dbraw/zinc/91/97/31/598919731.db2.gz BNWFBPXKXOFBLF-UHFFFAOYSA-N -1 3 389.441 0.739 20 30 GCEDHM CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CC1 ZINC000736658338 598919733 /nfs/dbraw/zinc/91/97/33/598919733.db2.gz BNWFBPXKXOFBLF-UHFFFAOYSA-N -1 3 389.441 0.739 20 30 GCEDHM N#Cc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1-c1nnn[n-]1 ZINC000737716422 598920685 /nfs/dbraw/zinc/92/06/85/598920685.db2.gz QVPAYMXPOAYVTR-CHWSQXEVSA-N -1 3 379.380 0.852 20 30 GCEDHM N#Cc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1-c1nn[n-]n1 ZINC000737716422 598920687 /nfs/dbraw/zinc/92/06/87/598920687.db2.gz QVPAYMXPOAYVTR-CHWSQXEVSA-N -1 3 379.380 0.852 20 30 GCEDHM N#Cc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1-c1nnn[n-]1 ZINC000737716421 598920840 /nfs/dbraw/zinc/92/08/40/598920840.db2.gz QVPAYMXPOAYVTR-BETUJISGSA-N -1 3 379.380 0.852 20 30 GCEDHM N#Cc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1-c1nn[n-]n1 ZINC000737716421 598920841 /nfs/dbraw/zinc/92/08/41/598920841.db2.gz QVPAYMXPOAYVTR-BETUJISGSA-N -1 3 379.380 0.852 20 30 GCEDHM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736498462 598927882 /nfs/dbraw/zinc/92/78/82/598927882.db2.gz SMHRWQMIUCRIBY-CQSZACIVSA-N -1 3 389.441 0.881 20 30 GCEDHM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736498462 598927883 /nfs/dbraw/zinc/92/78/83/598927883.db2.gz SMHRWQMIUCRIBY-CQSZACIVSA-N -1 3 389.441 0.881 20 30 GCEDHM Cc1cc(C#N)ccc1S(=O)(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000737230536 599001411 /nfs/dbraw/zinc/00/14/11/599001411.db2.gz HTGALINRGLJHKG-UHFFFAOYSA-N -1 3 384.425 0.832 20 30 GCEDHM Cc1cc(C#N)ccc1S(=O)(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737230536 599001413 /nfs/dbraw/zinc/00/14/13/599001413.db2.gz HTGALINRGLJHKG-UHFFFAOYSA-N -1 3 384.425 0.832 20 30 GCEDHM N#Cc1ccc([C@H](Sc2nc(N)c(-c3nnn[n-]3)cc2C#N)C(N)=O)cc1 ZINC000737712880 599012354 /nfs/dbraw/zinc/01/23/54/599012354.db2.gz WREYTJFARVVRAR-LBPRGKRZSA-N -1 3 377.393 0.906 20 30 GCEDHM N#Cc1ccc([C@H](Sc2nc(N)c(-c3nn[n-]n3)cc2C#N)C(N)=O)cc1 ZINC000737712880 599012355 /nfs/dbraw/zinc/01/23/55/599012355.db2.gz WREYTJFARVVRAR-LBPRGKRZSA-N -1 3 377.393 0.906 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737846053 599056617 /nfs/dbraw/zinc/05/66/17/599056617.db2.gz DUQWKEIJXQPVOL-VLGSPTGOSA-N -1 3 398.379 0.705 20 30 GCEDHM N#Cc1ccc([C@@H](C(N)=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cc1 ZINC000737712846 599067768 /nfs/dbraw/zinc/06/77/68/599067768.db2.gz WDFRSUIBHUNGGQ-INIZCTEOSA-N -1 3 389.423 0.482 20 30 GCEDHM N#Cc1ccc([C@@H](C(N)=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cc1 ZINC000737712846 599067770 /nfs/dbraw/zinc/06/77/70/599067770.db2.gz WDFRSUIBHUNGGQ-INIZCTEOSA-N -1 3 389.423 0.482 20 30 GCEDHM N#Cc1ccc([C@@H](OC(=O)CNc2ccc(-c3nn[n-]n3)cc2)C(N)=O)cc1 ZINC000737713615 599122967 /nfs/dbraw/zinc/12/29/67/599122967.db2.gz ZSUDPEWGOQLWEQ-MRXNPFEDSA-N -1 3 377.364 0.920 20 30 GCEDHM N#Cc1cccc(OCC(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737731020 599123368 /nfs/dbraw/zinc/12/33/68/599123368.db2.gz VRMFPQZUNHCUHU-MRXNPFEDSA-N -1 3 378.348 0.887 20 30 GCEDHM N#Cc1cccc(OCC(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737731020 599123371 /nfs/dbraw/zinc/12/33/71/599123371.db2.gz VRMFPQZUNHCUHU-MRXNPFEDSA-N -1 3 378.348 0.887 20 30 GCEDHM Cn1cc(N2CCC[C@@H](Sc3nc(N)c(-c4nnn[n-]4)cc3C#N)C2=O)cn1 ZINC000737609386 599161804 /nfs/dbraw/zinc/16/18/04/599161804.db2.gz GJAHQIXQCASTIL-GFCCVEGCSA-N -1 3 396.440 0.737 20 30 GCEDHM Cn1cc(N2CCC[C@@H](Sc3nc(N)c(-c4nn[n-]n4)cc3C#N)C2=O)cn1 ZINC000737609386 599161805 /nfs/dbraw/zinc/16/18/05/599161805.db2.gz GJAHQIXQCASTIL-GFCCVEGCSA-N -1 3 396.440 0.737 20 30 GCEDHM CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC000736658807 599197282 /nfs/dbraw/zinc/19/72/82/599197282.db2.gz JHXGXUXFVXQECW-LBPRGKRZSA-N -1 3 389.441 0.739 20 30 GCEDHM CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC000736658807 599197284 /nfs/dbraw/zinc/19/72/84/599197284.db2.gz JHXGXUXFVXQECW-LBPRGKRZSA-N -1 3 389.441 0.739 20 30 GCEDHM Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](CC(=O)[O-])C3)CC2)o1 ZINC000818985497 597077322 /nfs/dbraw/zinc/07/73/22/597077322.db2.gz DXNCNHCYYFWJNM-CQSZACIVSA-N -1 3 375.429 0.690 20 30 GCEDHM Cc1c(NC(=O)C(=O)NCCNc2ncccc2C#N)cccc1-c1nnn[n-]1 ZINC000822054333 607274806 /nfs/dbraw/zinc/27/48/06/607274806.db2.gz XPYKZRAFTUEEPZ-UHFFFAOYSA-N -1 3 391.395 0.609 20 30 GCEDHM Cc1c(NC(=O)C(=O)NCCNc2ncccc2C#N)cccc1-c1nn[n-]n1 ZINC000822054333 607274807 /nfs/dbraw/zinc/27/48/07/607274807.db2.gz XPYKZRAFTUEEPZ-UHFFFAOYSA-N -1 3 391.395 0.609 20 30 GCEDHM COc1ccc(C=c2sc(=C(C#N)C#N)n(C3CC3)c2=O)cc1-c1nnn[n-]1 ZINC000737082794 599251793 /nfs/dbraw/zinc/25/17/93/599251793.db2.gz KFRLNLRIBMQHBN-UHFFFAOYSA-N -1 3 391.416 0.460 20 30 GCEDHM COc1ccc(C=c2sc(=C(C#N)C#N)n(C3CC3)c2=O)cc1-c1nn[n-]n1 ZINC000737082794 599251796 /nfs/dbraw/zinc/25/17/96/599251796.db2.gz KFRLNLRIBMQHBN-UHFFFAOYSA-N -1 3 391.416 0.460 20 30 GCEDHM C[C@@H](C#N)COC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000819856316 607323238 /nfs/dbraw/zinc/32/32/38/607323238.db2.gz HZBVSUXLIMFIOU-GXFFZTMASA-N -1 3 383.368 0.775 20 30 GCEDHM C[C@@H](C#N)COC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000819856316 607323239 /nfs/dbraw/zinc/32/32/39/607323239.db2.gz HZBVSUXLIMFIOU-GXFFZTMASA-N -1 3 383.368 0.775 20 30 GCEDHM N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CCN1C1CC1 ZINC000822806251 607339229 /nfs/dbraw/zinc/33/92/29/607339229.db2.gz LNNJABYPKYWTSR-GFCCVEGCSA-N -1 3 384.375 0.143 20 30 GCEDHM N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CCN1C1CC1 ZINC000822806251 607339231 /nfs/dbraw/zinc/33/92/31/607339231.db2.gz LNNJABYPKYWTSR-GFCCVEGCSA-N -1 3 384.375 0.143 20 30 GCEDHM C=CCn1nnn(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1=S ZINC000735447306 598233864 /nfs/dbraw/zinc/23/38/64/598233864.db2.gz DTEGQWJMNUWUCC-UHFFFAOYSA-N -1 3 384.473 0.955 20 30 GCEDHM C=CCn1nnn(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1=S ZINC000735447306 598233866 /nfs/dbraw/zinc/23/38/66/598233866.db2.gz DTEGQWJMNUWUCC-UHFFFAOYSA-N -1 3 384.473 0.955 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cn1 ZINC000737723029 598262538 /nfs/dbraw/zinc/26/25/38/598262538.db2.gz NRFRWBVKYIRCBB-UHFFFAOYSA-N -1 3 397.424 0.039 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cn1 ZINC000737723029 598262540 /nfs/dbraw/zinc/26/25/40/598262540.db2.gz NRFRWBVKYIRCBB-UHFFFAOYSA-N -1 3 397.424 0.039 20 30 GCEDHM Cc1cc(=O)n2nc(CSc3nc(N)c(C#N)cc3-c3nnn[n-]3)sc2n1 ZINC000737226092 598274253 /nfs/dbraw/zinc/27/42/53/598274253.db2.gz ONWYDHKZCBVKHK-UHFFFAOYSA-N -1 3 398.437 0.781 20 30 GCEDHM Cc1cc(=O)n2nc(CSc3nc(N)c(C#N)cc3-c3nn[n-]n3)sc2n1 ZINC000737226092 598274254 /nfs/dbraw/zinc/27/42/54/598274254.db2.gz ONWYDHKZCBVKHK-UHFFFAOYSA-N -1 3 398.437 0.781 20 30 GCEDHM N#CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737695037 598362664 /nfs/dbraw/zinc/36/26/64/598362664.db2.gz IWPPDQNPHLPKNX-UHFFFAOYSA-N -1 3 376.398 0.334 20 30 GCEDHM N#CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737695037 598362665 /nfs/dbraw/zinc/36/26/65/598362665.db2.gz IWPPDQNPHLPKNX-UHFFFAOYSA-N -1 3 376.398 0.334 20 30 GCEDHM N#CCn1cc(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)cn1 ZINC000737706145 598436907 /nfs/dbraw/zinc/43/69/07/598436907.db2.gz WKJVMHANCMBBIQ-UHFFFAOYSA-N -1 3 375.356 0.607 20 30 GCEDHM N#CCn1cc(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)cn1 ZINC000737706145 598436908 /nfs/dbraw/zinc/43/69/08/598436908.db2.gz WKJVMHANCMBBIQ-UHFFFAOYSA-N -1 3 375.356 0.607 20 30 GCEDHM N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737727805 598459482 /nfs/dbraw/zinc/45/94/82/598459482.db2.gz BRPKWZOANWNDGS-UHFFFAOYSA-N -1 3 391.395 0.961 20 30 GCEDHM N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737727805 598459485 /nfs/dbraw/zinc/45/94/85/598459485.db2.gz BRPKWZOANWNDGS-UHFFFAOYSA-N -1 3 391.395 0.961 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCS(=O)(=O)CC ZINC000735420421 598533619 /nfs/dbraw/zinc/53/36/19/598533619.db2.gz PJYHZZALEZWOCH-UHFFFAOYSA-N -1 3 378.458 0.999 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCS(=O)(=O)CC ZINC000735420421 598533621 /nfs/dbraw/zinc/53/36/21/598533621.db2.gz PJYHZZALEZWOCH-UHFFFAOYSA-N -1 3 378.458 0.999 20 30 GCEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000736170513 598623986 /nfs/dbraw/zinc/62/39/86/598623986.db2.gz QCVHWBABMAMFBO-FOTIKMNESA-N -1 3 397.395 0.277 20 30 GCEDHM COC(=O)CCc1nc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)no1 ZINC000736918714 598640576 /nfs/dbraw/zinc/64/05/76/598640576.db2.gz ITDIBAZVBLLTOR-UHFFFAOYSA-N -1 3 387.385 0.496 20 30 GCEDHM COC(=O)CCc1nc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)no1 ZINC000736918714 598640578 /nfs/dbraw/zinc/64/05/78/598640578.db2.gz ITDIBAZVBLLTOR-UHFFFAOYSA-N -1 3 387.385 0.496 20 30 GCEDHM CCc1nn(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)c(=O)c(C#N)c1CC ZINC000736706397 598643571 /nfs/dbraw/zinc/64/35/71/598643571.db2.gz VVTWGXSEWVHNOY-UHFFFAOYSA-N -1 3 392.423 0.736 20 30 GCEDHM CCc1nn(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)c(=O)c(C#N)c1CC ZINC000736706397 598643573 /nfs/dbraw/zinc/64/35/73/598643573.db2.gz VVTWGXSEWVHNOY-UHFFFAOYSA-N -1 3 392.423 0.736 20 30 GCEDHM CC[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)cn1)NC(=O)c1ccc(C#N)cn1 ZINC000736348557 598688056 /nfs/dbraw/zinc/68/80/56/598688056.db2.gz BVSBHNBSDWQSHC-ZDUSSCGKSA-N -1 3 391.395 0.467 20 30 GCEDHM CC[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)cn1)NC(=O)c1ccc(C#N)cn1 ZINC000736348557 598688057 /nfs/dbraw/zinc/68/80/57/598688057.db2.gz BVSBHNBSDWQSHC-ZDUSSCGKSA-N -1 3 391.395 0.467 20 30 GCEDHM N#Cc1cc(S(=O)(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)ccc1F ZINC000737708757 598690806 /nfs/dbraw/zinc/69/08/06/598690806.db2.gz GQXFYCXYEZFNMA-UHFFFAOYSA-N -1 3 388.388 0.663 20 30 GCEDHM N#Cc1cc(S(=O)(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)ccc1F ZINC000737708757 598690807 /nfs/dbraw/zinc/69/08/07/598690807.db2.gz GQXFYCXYEZFNMA-UHFFFAOYSA-N -1 3 388.388 0.663 20 30 GCEDHM C[C@@H](CNC(=O)c1ccc(C#N)cn1)N(C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736020040 598692612 /nfs/dbraw/zinc/69/26/12/598692612.db2.gz KUEZHPCVXYANLZ-NSHDSACASA-N -1 3 391.395 0.419 20 30 GCEDHM C[C@@H](CNC(=O)c1ccc(C#N)cn1)N(C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736020040 598692613 /nfs/dbraw/zinc/69/26/13/598692613.db2.gz KUEZHPCVXYANLZ-NSHDSACASA-N -1 3 391.395 0.419 20 30 GCEDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NCCNC(=O)C1N=CC=CC1=O ZINC000737853310 598697836 /nfs/dbraw/zinc/69/78/36/598697836.db2.gz KGAOAGUTZDPYQR-VLGSPTGOSA-N -1 3 381.396 0.442 20 30 GCEDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCCNC(=O)C1N=CC=CC1=O ZINC000737941998 598697981 /nfs/dbraw/zinc/69/79/81/598697981.db2.gz RKMVYCLPOMVXRZ-ICFOKQHNSA-N -1 3 399.436 0.601 20 30 GCEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000737062333 598729249 /nfs/dbraw/zinc/72/92/49/598729249.db2.gz JERREZNVUXRAQB-JQIJEIRASA-N -1 3 398.383 0.523 20 30 GCEDHM N#C[C@@H]1CN([C@@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCN1C1CC1 ZINC000737678583 598757551 /nfs/dbraw/zinc/75/75/51/598757551.db2.gz KKHZWFGSWQWSQP-HZPDHXFCSA-N -1 3 392.423 0.171 20 30 GCEDHM N#C[C@@H]1CN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCN1C1CC1 ZINC000737678583 598757552 /nfs/dbraw/zinc/75/75/52/598757552.db2.gz KKHZWFGSWQWSQP-HZPDHXFCSA-N -1 3 392.423 0.171 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCCS(C)(=O)=O ZINC000735420313 598783274 /nfs/dbraw/zinc/78/32/74/598783274.db2.gz OPSMVEYQSHBCLT-UHFFFAOYSA-N -1 3 378.458 0.999 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCCS(C)(=O)=O ZINC000735420313 598783275 /nfs/dbraw/zinc/78/32/75/598783275.db2.gz OPSMVEYQSHBCLT-UHFFFAOYSA-N -1 3 378.458 0.999 20 30 GCEDHM C=CCOCC(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nnn[n-]1 ZINC000735437991 598817021 /nfs/dbraw/zinc/81/70/21/598817021.db2.gz VLKTWGULOITTIG-UHFFFAOYSA-N -1 3 382.428 0.886 20 30 GCEDHM C=CCOCC(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nn[n-]n1 ZINC000735437991 598817023 /nfs/dbraw/zinc/81/70/23/598817023.db2.gz VLKTWGULOITTIG-UHFFFAOYSA-N -1 3 382.428 0.886 20 30 GCEDHM C=C(Cl)CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000735402430 599389849 /nfs/dbraw/zinc/38/98/49/599389849.db2.gz VKAWEFZOSSZYQX-LBPRGKRZSA-N -1 3 389.803 0.940 20 30 GCEDHM C=C(Cl)CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735402430 599389851 /nfs/dbraw/zinc/38/98/51/599389851.db2.gz VKAWEFZOSSZYQX-LBPRGKRZSA-N -1 3 389.803 0.940 20 30 GCEDHM C#CCNC(=O)C1CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CC1 ZINC000819701479 599569051 /nfs/dbraw/zinc/56/90/51/599569051.db2.gz IYCDUHLXDFRLOD-UHFFFAOYSA-N -1 3 392.423 0.878 20 30 GCEDHM COC(=O)CN(CC#N)C(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736919888 599569944 /nfs/dbraw/zinc/56/99/44/599569944.db2.gz YFUBZLLBSVJXBJ-UHFFFAOYSA-N -1 3 388.384 0.559 20 30 GCEDHM COC(=O)CN(CC#N)C(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736919888 599569946 /nfs/dbraw/zinc/56/99/46/599569946.db2.gz YFUBZLLBSVJXBJ-UHFFFAOYSA-N -1 3 388.384 0.559 20 30 GCEDHM N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000822806562 599605075 /nfs/dbraw/zinc/60/50/75/599605075.db2.gz POLYWHAVENTLAU-VIFPVBQESA-N -1 3 395.301 0.575 20 30 GCEDHM N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000822806562 599605077 /nfs/dbraw/zinc/60/50/77/599605077.db2.gz POLYWHAVENTLAU-VIFPVBQESA-N -1 3 395.301 0.575 20 30 GCEDHM N#Cc1ccc(OCCNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822833737 599612007 /nfs/dbraw/zinc/61/20/07/599612007.db2.gz VNSANGUYKNXKPG-UHFFFAOYSA-N -1 3 377.364 0.872 20 30 GCEDHM N#Cc1ccc(OCCNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822833737 599612009 /nfs/dbraw/zinc/61/20/09/599612009.db2.gz VNSANGUYKNXKPG-UHFFFAOYSA-N -1 3 377.364 0.872 20 30 GCEDHM C#CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000819701639 599636949 /nfs/dbraw/zinc/63/69/49/599636949.db2.gz KJAFTFJTIZKXIP-CQSZACIVSA-N -1 3 399.436 0.539 20 30 GCEDHM C#CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000819701639 599636950 /nfs/dbraw/zinc/63/69/50/599636950.db2.gz KJAFTFJTIZKXIP-CQSZACIVSA-N -1 3 399.436 0.539 20 30 GCEDHM C#CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000819701636 599637227 /nfs/dbraw/zinc/63/72/27/599637227.db2.gz KJAFTFJTIZKXIP-AWEZNQCLSA-N -1 3 399.436 0.539 20 30 GCEDHM C#CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000819701636 599637228 /nfs/dbraw/zinc/63/72/28/599637228.db2.gz KJAFTFJTIZKXIP-AWEZNQCLSA-N -1 3 399.436 0.539 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)C1=O ZINC000823919285 607442680 /nfs/dbraw/zinc/44/26/80/607442680.db2.gz BJUCGJNGBSJYNK-UHFFFAOYSA-N -1 3 384.352 0.195 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2C)C1=O ZINC000823919285 607442681 /nfs/dbraw/zinc/44/26/81/607442681.db2.gz BJUCGJNGBSJYNK-UHFFFAOYSA-N -1 3 384.352 0.195 20 30 GCEDHM C#CCN1CCC(C(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)CC1 ZINC000825614678 601991141 /nfs/dbraw/zinc/99/11/41/601991141.db2.gz UPSATLKTSCLANW-UHFFFAOYSA-N -1 3 392.477 0.647 20 30 GCEDHM N#Cc1cc(F)ccc1S(=O)(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000826384508 607598260 /nfs/dbraw/zinc/59/82/60/607598260.db2.gz YJBMTOWUGFKXML-UHFFFAOYSA-N -1 3 388.388 0.663 20 30 GCEDHM N#Cc1cc(F)ccc1S(=O)(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000826384508 607598261 /nfs/dbraw/zinc/59/82/61/607598261.db2.gz YJBMTOWUGFKXML-UHFFFAOYSA-N -1 3 388.388 0.663 20 30 GCEDHM CCC[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC000825242251 607718664 /nfs/dbraw/zinc/71/86/64/607718664.db2.gz MDCSWKSQAWGTJQ-LLVKDONJSA-N -1 3 381.400 0.723 20 30 GCEDHM CCC[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC000825242251 607718666 /nfs/dbraw/zinc/71/86/66/607718666.db2.gz MDCSWKSQAWGTJQ-LLVKDONJSA-N -1 3 381.400 0.723 20 30 GCEDHM CCC[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825242732 607718974 /nfs/dbraw/zinc/71/89/74/607718974.db2.gz ZPDWVPYTEWIDAS-LLVKDONJSA-N -1 3 381.400 0.723 20 30 GCEDHM CCC[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825242732 607718976 /nfs/dbraw/zinc/71/89/76/607718976.db2.gz ZPDWVPYTEWIDAS-LLVKDONJSA-N -1 3 381.400 0.723 20 30 GCEDHM Cn1cc(C#N)c(NC(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)n1 ZINC000822664712 606158209 /nfs/dbraw/zinc/15/82/09/606158209.db2.gz AGQPLVFHNFPJLC-UHFFFAOYSA-N -1 3 396.390 0.965 20 30 GCEDHM Cn1cc(C#N)c(NC(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)n1 ZINC000822664712 606158212 /nfs/dbraw/zinc/15/82/12/606158212.db2.gz AGQPLVFHNFPJLC-UHFFFAOYSA-N -1 3 396.390 0.965 20 30 GCEDHM CC[C@H](CNC(=O)c1cc(-c2nnn[n-]2)cn1C)NC(=O)c1cc(C#N)cn1C ZINC000820908622 606285848 /nfs/dbraw/zinc/28/58/48/606285848.db2.gz OAVJCFSLHBXDHY-CYBMUJFWSA-N -1 3 395.427 0.354 20 30 GCEDHM CC[C@H](CNC(=O)c1cc(-c2nn[n-]n2)cn1C)NC(=O)c1cc(C#N)cn1C ZINC000820908622 606285850 /nfs/dbraw/zinc/28/58/50/606285850.db2.gz OAVJCFSLHBXDHY-CYBMUJFWSA-N -1 3 395.427 0.354 20 30 GCEDHM C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820744266 606298771 /nfs/dbraw/zinc/29/87/71/606298771.db2.gz XQTQWUHCGHFKDH-JTQLQIEISA-N -1 3 379.384 0.381 20 30 GCEDHM C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820744266 606298772 /nfs/dbraw/zinc/29/87/72/606298772.db2.gz XQTQWUHCGHFKDH-JTQLQIEISA-N -1 3 379.384 0.381 20 30 GCEDHM CCC[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(C#N)c[nH]1 ZINC000821020950 606317907 /nfs/dbraw/zinc/31/79/07/606317907.db2.gz KDNMDBMLVLCGQA-LBPRGKRZSA-N -1 3 381.400 0.723 20 30 GCEDHM CCC[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(C#N)c[nH]1 ZINC000821020950 606317909 /nfs/dbraw/zinc/31/79/09/606317909.db2.gz KDNMDBMLVLCGQA-LBPRGKRZSA-N -1 3 381.400 0.723 20 30 GCEDHM CCC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821023102 606318221 /nfs/dbraw/zinc/31/82/21/606318221.db2.gz WMRHWEZKSVHARS-LBPRGKRZSA-N -1 3 381.400 0.723 20 30 GCEDHM CCC[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821023102 606318224 /nfs/dbraw/zinc/31/82/24/606318224.db2.gz WMRHWEZKSVHARS-LBPRGKRZSA-N -1 3 381.400 0.723 20 30 GCEDHM O=C(NCCNC(=O)C1N=CC=CC1=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823201871 606351412 /nfs/dbraw/zinc/35/14/12/606351412.db2.gz NMSXZIUYJYROSU-FYWRMAATSA-N -1 3 386.347 0.654 20 30 GCEDHM O=C(NCCNC(=O)C1N=CC=CC1=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823201871 606351413 /nfs/dbraw/zinc/35/14/13/606351413.db2.gz NMSXZIUYJYROSU-FYWRMAATSA-N -1 3 386.347 0.654 20 30 GCEDHM C#CCN1CCN(C(=O)CN(CC=C)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819702251 606374802 /nfs/dbraw/zinc/37/48/02/606374802.db2.gz VLGVMKUGCKUHDI-UHFFFAOYSA-N -1 3 379.468 0.632 20 30 GCEDHM C=CCNC(=O)c1ccc(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)nc1 ZINC000819751392 606442301 /nfs/dbraw/zinc/44/23/01/606442301.db2.gz UFKCLSAHKSWXCU-UHFFFAOYSA-N -1 3 382.432 0.552 20 30 GCEDHM CCN(CCC#N)C(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821207723 606584487 /nfs/dbraw/zinc/58/44/87/606584487.db2.gz SZNMVJVLKALBNG-CQSZACIVSA-N -1 3 396.411 0.834 20 30 GCEDHM CCN(CCC#N)C(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821207723 606584488 /nfs/dbraw/zinc/58/44/88/606584488.db2.gz SZNMVJVLKALBNG-CQSZACIVSA-N -1 3 396.411 0.834 20 30 GCEDHM CC[C@H](C#N)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820843426 606614439 /nfs/dbraw/zinc/61/44/39/606614439.db2.gz YWJLEEQVCMAPRE-OLZOCXBDSA-N -1 3 383.368 0.917 20 30 GCEDHM CC[C@H](C#N)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820843426 606614440 /nfs/dbraw/zinc/61/44/40/606614440.db2.gz YWJLEEQVCMAPRE-OLZOCXBDSA-N -1 3 383.368 0.917 20 30 GCEDHM C#CCN(CC#C)S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000819698038 606639102 /nfs/dbraw/zinc/63/91/02/606639102.db2.gz QMFSAPMLZRFEGS-UHFFFAOYSA-N -1 3 380.227 0.886 20 30 GCEDHM C#CCN(CC#C)S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000819698038 606639103 /nfs/dbraw/zinc/63/91/03/606639103.db2.gz QMFSAPMLZRFEGS-UHFFFAOYSA-N -1 3 380.227 0.886 20 30 GCEDHM C=CCNC(=O)CN1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000819751647 606663698 /nfs/dbraw/zinc/66/36/98/606663698.db2.gz YPYOUCLXQOCUCB-UHFFFAOYSA-N -1 3 391.382 0.205 20 30 GCEDHM C=CCNC(=O)CN1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000819751647 606663699 /nfs/dbraw/zinc/66/36/99/606663699.db2.gz YPYOUCLXQOCUCB-UHFFFAOYSA-N -1 3 391.382 0.205 20 30 GCEDHM C=C[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819730371 606800288 /nfs/dbraw/zinc/80/02/88/606800288.db2.gz XVDLROTUFUFYPN-LBPRGKRZSA-N -1 3 391.457 0.457 20 30 GCEDHM C=C[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819730371 606800290 /nfs/dbraw/zinc/80/02/90/606800290.db2.gz XVDLROTUFUFYPN-LBPRGKRZSA-N -1 3 391.457 0.457 20 30 GCEDHM C[C@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1nc(-c2nc[nH]n2)no1 ZINC000820555054 606819477 /nfs/dbraw/zinc/81/94/77/606819477.db2.gz FPQGDRPHSBVXGL-YFKPBYRVSA-N -1 3 382.373 0.737 20 30 GCEDHM C[C@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1nc(-c2nc[nH]n2)no1 ZINC000820555054 606819479 /nfs/dbraw/zinc/81/94/79/606819479.db2.gz FPQGDRPHSBVXGL-YFKPBYRVSA-N -1 3 382.373 0.737 20 30 GCEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820803885 606823792 /nfs/dbraw/zinc/82/37/92/606823792.db2.gz JENCEQWZCWAPLJ-CYBMUJFWSA-N -1 3 389.423 0.808 20 30 GCEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820803885 606823794 /nfs/dbraw/zinc/82/37/94/606823794.db2.gz JENCEQWZCWAPLJ-CYBMUJFWSA-N -1 3 389.423 0.808 20 30 GCEDHM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000820788363 606911115 /nfs/dbraw/zinc/91/11/15/606911115.db2.gz FEGAXYPRQVZRMC-CZUORRHYSA-N -1 3 391.439 0.772 20 30 GCEDHM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000820788362 606911436 /nfs/dbraw/zinc/91/14/36/606911436.db2.gz FEGAXYPRQVZRMC-CJNGLKHVSA-N -1 3 391.439 0.772 20 30 GCEDHM C=CCSCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819759076 607010373 /nfs/dbraw/zinc/01/03/73/607010373.db2.gz NVYVIALWXYEAKN-LLVKDONJSA-N -1 3 396.498 0.569 20 30 GCEDHM C=CCSCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819759076 607010374 /nfs/dbraw/zinc/01/03/74/607010374.db2.gz NVYVIALWXYEAKN-LLVKDONJSA-N -1 3 396.498 0.569 20 30 GCEDHM CC[C@](C)(C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820848347 607017213 /nfs/dbraw/zinc/01/72/13/607017213.db2.gz VLNIHMQOVMKMGH-MEBBXXQBSA-N -1 3 377.430 0.342 20 30 GCEDHM CC[C@](C)(C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820848347 607017216 /nfs/dbraw/zinc/01/72/16/607017216.db2.gz VLNIHMQOVMKMGH-MEBBXXQBSA-N -1 3 377.430 0.342 20 30 GCEDHM CC(C)N(CCC#N)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820438073 607018316 /nfs/dbraw/zinc/01/83/16/607018316.db2.gz HUXFHJRMPRMPRQ-LBPRGKRZSA-N -1 3 391.457 0.684 20 30 GCEDHM CC(C)N(CCC#N)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820438073 607018318 /nfs/dbraw/zinc/01/83/18/607018318.db2.gz HUXFHJRMPRMPRQ-LBPRGKRZSA-N -1 3 391.457 0.684 20 30 GCEDHM C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000819740043 607020893 /nfs/dbraw/zinc/02/08/93/607020893.db2.gz MNODPINHODEQLO-GFCCVEGCSA-N -1 3 378.458 0.957 20 30 GCEDHM C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000819740043 607020894 /nfs/dbraw/zinc/02/08/94/607020894.db2.gz MNODPINHODEQLO-GFCCVEGCSA-N -1 3 378.458 0.957 20 30 GCEDHM CC(C)[C@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820445413 607024242 /nfs/dbraw/zinc/02/42/42/607024242.db2.gz PRMOBGBSKDZGID-MFKMUULPSA-N -1 3 377.430 0.198 20 30 GCEDHM CC(C)[C@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820445413 607024245 /nfs/dbraw/zinc/02/42/45/607024245.db2.gz PRMOBGBSKDZGID-MFKMUULPSA-N -1 3 377.430 0.198 20 30 GCEDHM C=CCCCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819739598 607039773 /nfs/dbraw/zinc/03/97/73/607039773.db2.gz ANXMDXXTRICFMQ-GFCCVEGCSA-N -1 3 378.458 0.958 20 30 GCEDHM C=CCCCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819739598 607039775 /nfs/dbraw/zinc/03/97/75/607039775.db2.gz ANXMDXXTRICFMQ-GFCCVEGCSA-N -1 3 378.458 0.958 20 30 GCEDHM C#CCN(CC#CC)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819697408 607047184 /nfs/dbraw/zinc/04/71/84/607047184.db2.gz DOYYQDKPJVLWEE-CYBMUJFWSA-N -1 3 386.437 0.019 20 30 GCEDHM C#CCN(CC#CC)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819697408 607047185 /nfs/dbraw/zinc/04/71/85/607047185.db2.gz DOYYQDKPJVLWEE-CYBMUJFWSA-N -1 3 386.437 0.019 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C#N)C(C)(C)C ZINC000820444602 607053781 /nfs/dbraw/zinc/05/37/81/607053781.db2.gz KYWWPKRQWXPSBB-GXFFZTMASA-N -1 3 391.457 0.588 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C#N)C(C)(C)C ZINC000820444602 607053783 /nfs/dbraw/zinc/05/37/83/607053783.db2.gz KYWWPKRQWXPSBB-GXFFZTMASA-N -1 3 391.457 0.588 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000820445126 607054316 /nfs/dbraw/zinc/05/43/16/607054316.db2.gz NWPIYZWIJKYMSX-SUHUHFCYSA-N -1 3 389.441 0.342 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000820445126 607054318 /nfs/dbraw/zinc/05/43/18/607054318.db2.gz NWPIYZWIJKYMSX-SUHUHFCYSA-N -1 3 389.441 0.342 20 30 GCEDHM C#CCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819693692 607061489 /nfs/dbraw/zinc/06/14/89/607061489.db2.gz VJDJBERZLRBAMU-GFCCVEGCSA-N -1 3 376.442 0.453 20 30 GCEDHM C#CCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819693692 607061491 /nfs/dbraw/zinc/06/14/91/607061491.db2.gz VJDJBERZLRBAMU-GFCCVEGCSA-N -1 3 376.442 0.453 20 30 GCEDHM C=C(C)COCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819722229 607062928 /nfs/dbraw/zinc/06/29/28/607062928.db2.gz DOIUXBYZLRXMPM-GFCCVEGCSA-N -1 3 394.457 0.242 20 30 GCEDHM C=C(C)COCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819722229 607062929 /nfs/dbraw/zinc/06/29/29/607062929.db2.gz DOIUXBYZLRXMPM-GFCCVEGCSA-N -1 3 394.457 0.242 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@H](C#N)C1CC1 ZINC000820450434 607090758 /nfs/dbraw/zinc/09/07/58/607090758.db2.gz KOBYMNMMWIADIL-NOZJJQNGSA-N -1 3 376.398 0.379 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@H](C#N)C1CC1 ZINC000820450434 607090759 /nfs/dbraw/zinc/09/07/59/607090759.db2.gz KOBYMNMMWIADIL-NOZJJQNGSA-N -1 3 376.398 0.379 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1(CC#N)CC1 ZINC000820446752 607090897 /nfs/dbraw/zinc/09/08/97/607090897.db2.gz XBHLCQUHQLZLFG-LLVKDONJSA-N -1 3 390.425 0.771 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1(CC#N)CC1 ZINC000820446752 607090899 /nfs/dbraw/zinc/09/08/99/607090899.db2.gz XBHLCQUHQLZLFG-LLVKDONJSA-N -1 3 390.425 0.771 20 30 GCEDHM NS(=O)(=O)c1ccc(N=NCc2c[nH]c3ccc(-c4nnn[n-]4)cc23)nc1 ZINC000822899580 607147716 /nfs/dbraw/zinc/14/77/16/607147716.db2.gz KZGPRLXJONAFIQ-UHFFFAOYSA-N -1 3 383.397 0.836 20 30 GCEDHM NS(=O)(=O)c1ccc(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)nc1 ZINC000822899580 607147718 /nfs/dbraw/zinc/14/77/18/607147718.db2.gz KZGPRLXJONAFIQ-UHFFFAOYSA-N -1 3 383.397 0.836 20 30 GCEDHM N#Cc1ccnc(N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c1[N+](=O)[O-] ZINC000822842452 607165982 /nfs/dbraw/zinc/16/59/82/607165982.db2.gz IVHGPOUQCVFGMF-UHFFFAOYSA-N -1 3 378.356 0.763 20 30 GCEDHM N#Cc1ccnc(N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c1[N+](=O)[O-] ZINC000822842452 607165983 /nfs/dbraw/zinc/16/59/83/607165983.db2.gz IVHGPOUQCVFGMF-UHFFFAOYSA-N -1 3 378.356 0.763 20 30 GCEDHM N#Cc1ccc(CN2CCCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000822826318 607206234 /nfs/dbraw/zinc/20/62/34/607206234.db2.gz WGSAIYNLFSKDQL-UHFFFAOYSA-N -1 3 392.427 0.064 20 30 GCEDHM N#Cc1ncn(CC(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000822845832 607219799 /nfs/dbraw/zinc/21/97/99/607219799.db2.gz IRUVAYQMEJKPIQ-UHFFFAOYSA-N -1 3 378.400 0.115 20 30 GCEDHM N#Cc1ncn(CC(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000822845832 607219800 /nfs/dbraw/zinc/21/98/00/607219800.db2.gz IRUVAYQMEJKPIQ-UHFFFAOYSA-N -1 3 378.400 0.115 20 30 GCEDHM C#CCN(C(=O)c1ncc(-c2nnn[n-]2)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000823846086 607961650 /nfs/dbraw/zinc/96/16/50/607961650.db2.gz YRPVMBWTUGRGFP-SNVBAGLBSA-N -1 3 380.817 0.178 20 30 GCEDHM C#CCN(C(=O)c1ncc(-c2nn[n-]n2)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000823846086 607961651 /nfs/dbraw/zinc/96/16/51/607961651.db2.gz YRPVMBWTUGRGFP-SNVBAGLBSA-N -1 3 380.817 0.178 20 30 GCEDHM N#CCCN1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826382288 608038528 /nfs/dbraw/zinc/03/85/28/608038528.db2.gz WZXHFQVPBRWYGU-UHFFFAOYSA-N -1 3 375.458 0.172 20 30 GCEDHM N#CCCN1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826382288 608038529 /nfs/dbraw/zinc/03/85/29/608038529.db2.gz WZXHFQVPBRWYGU-UHFFFAOYSA-N -1 3 375.458 0.172 20 30 GCEDHM COCC#CCOC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826147214 608104450 /nfs/dbraw/zinc/10/44/50/608104450.db2.gz PYPNMRHFZGCYRR-CQSZACIVSA-N -1 3 398.379 0.265 20 30 GCEDHM COCC#CCOC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826147214 608104451 /nfs/dbraw/zinc/10/44/51/608104451.db2.gz PYPNMRHFZGCYRR-CQSZACIVSA-N -1 3 398.379 0.265 20 30 GCEDHM CN(CC(C)(C)CNC(=O)c1ccc(C#N)[nH]1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825898081 608170679 /nfs/dbraw/zinc/17/06/79/608170679.db2.gz YHSKCUSYMCNGNY-UHFFFAOYSA-N -1 3 395.427 0.923 20 30 GCEDHM CN(CC(C)(C)CNC(=O)c1ccc(C#N)[nH]1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825898081 608170680 /nfs/dbraw/zinc/17/06/80/608170680.db2.gz YHSKCUSYMCNGNY-UHFFFAOYSA-N -1 3 395.427 0.923 20 30 GCEDHM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000824974663 608172116 /nfs/dbraw/zinc/17/21/16/608172116.db2.gz CWDKTAKJRRAHRM-SNVBAGLBSA-N -1 3 379.384 0.381 20 30 GCEDHM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000824974663 608172118 /nfs/dbraw/zinc/17/21/18/608172118.db2.gz CWDKTAKJRRAHRM-SNVBAGLBSA-N -1 3 379.384 0.381 20 30 GCEDHM N#Cc1cc(-c2nnn[n-]2)c(SCC(=O)N2CCOC[C@@H]2C2CC2)nc1N ZINC000826383507 608227480 /nfs/dbraw/zinc/22/74/80/608227480.db2.gz DRLVXLZEGCCSIJ-GFCCVEGCSA-N -1 3 386.441 0.445 20 30 GCEDHM N#Cc1cc(-c2nn[n-]n2)c(SCC(=O)N2CCOC[C@@H]2C2CC2)nc1N ZINC000826383507 608227481 /nfs/dbraw/zinc/22/74/81/608227481.db2.gz DRLVXLZEGCCSIJ-GFCCVEGCSA-N -1 3 386.441 0.445 20 30 GCEDHM O=C1N=C(NN=Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)NC1=O ZINC000826482203 608229803 /nfs/dbraw/zinc/22/98/03/608229803.db2.gz VSVUIOJERGQQMF-UHFFFAOYSA-N -1 3 390.363 0.382 20 30 GCEDHM O=C1N=C(NN=Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)NC1=O ZINC000826482203 608229804 /nfs/dbraw/zinc/22/98/04/608229804.db2.gz VSVUIOJERGQQMF-UHFFFAOYSA-N -1 3 390.363 0.382 20 30 GCEDHM C#C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823837403 608454246 /nfs/dbraw/zinc/45/42/46/608454246.db2.gz CYPPPZDOCUAMAA-YGRLFVJLSA-N -1 3 375.410 0.489 20 30 GCEDHM C#C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823837403 608454248 /nfs/dbraw/zinc/45/42/48/608454248.db2.gz CYPPPZDOCUAMAA-YGRLFVJLSA-N -1 3 375.410 0.489 20 30 GCEDHM C=CC[C@H](CO)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000823888334 608469597 /nfs/dbraw/zinc/46/95/97/608469597.db2.gz JBWUSWHESNRAEN-LBPRGKRZSA-N -1 3 388.428 0.893 20 30 GCEDHM C=CC[C@H](CO)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000823888334 608469598 /nfs/dbraw/zinc/46/95/98/608469598.db2.gz JBWUSWHESNRAEN-LBPRGKRZSA-N -1 3 388.428 0.893 20 30 GCEDHM CN1CCN(c2ncc(C=[NH+][N-]c3cc(-c4nn[n-]n4)cc(Cl)n3)cn2)CC1 ZINC000826044151 608539096 /nfs/dbraw/zinc/53/90/96/608539096.db2.gz ADQGNPLDCDZTDQ-UHFFFAOYSA-N -1 3 399.850 0.903 20 30 GCEDHM CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824185376 608643357 /nfs/dbraw/zinc/64/33/57/608643357.db2.gz XSHUKMPVVDIELB-SFHVURJKSA-N -1 3 396.499 0.991 20 30 GCEDHM N#Cc1ccccc1S(=O)(=O)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000826387098 608770211 /nfs/dbraw/zinc/77/02/11/608770211.db2.gz GFVOXBQDXYNJGC-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM N#Cc1ccccc1S(=O)(=O)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000826387098 608770212 /nfs/dbraw/zinc/77/02/12/608770212.db2.gz GFVOXBQDXYNJGC-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM N#Cc1ccc([C@H](O)C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cc1 ZINC000826384651 609190868 /nfs/dbraw/zinc/19/08/68/609190868.db2.gz DJWIGEXISUKCRT-KRWDZBQOSA-N -1 3 390.407 0.516 20 30 GCEDHM N#Cc1ccc([C@H](O)C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cc1 ZINC000826384651 609190869 /nfs/dbraw/zinc/19/08/69/609190869.db2.gz DJWIGEXISUKCRT-KRWDZBQOSA-N -1 3 390.407 0.516 20 30 GCEDHM N#Cc1cc(C(=O)N2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)c[nH]1 ZINC000826383744 609190949 /nfs/dbraw/zinc/19/09/49/609190949.db2.gz OGEMPCNMDOCPDC-UHFFFAOYSA-N -1 3 379.384 0.383 20 30 GCEDHM N#Cc1cc(C(=O)N2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)c[nH]1 ZINC000826383744 609190950 /nfs/dbraw/zinc/19/09/50/609190950.db2.gz OGEMPCNMDOCPDC-UHFFFAOYSA-N -1 3 379.384 0.383 20 30 GCEDHM C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823861541 609205375 /nfs/dbraw/zinc/20/53/75/609205375.db2.gz MPWZOWRMHBSLDT-GOSISDBHSA-N -1 3 390.403 0.979 20 30 GCEDHM C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823861541 609205377 /nfs/dbraw/zinc/20/53/77/609205377.db2.gz MPWZOWRMHBSLDT-GOSISDBHSA-N -1 3 390.403 0.979 20 30 GCEDHM C=CCN(C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000823899155 609208536 /nfs/dbraw/zinc/20/85/36/609208536.db2.gz NWYRQEBGQJGVLM-KBPBESRZSA-N -1 3 377.426 0.102 20 30 GCEDHM C=CCN(C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000823899155 609208537 /nfs/dbraw/zinc/20/85/37/609208537.db2.gz NWYRQEBGQJGVLM-KBPBESRZSA-N -1 3 377.426 0.102 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823850484 609265209 /nfs/dbraw/zinc/26/52/09/609265209.db2.gz PCCSCPNLYXCLHF-IRXDYDNUSA-N -1 3 393.451 0.576 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823850484 609265211 /nfs/dbraw/zinc/26/52/11/609265211.db2.gz PCCSCPNLYXCLHF-IRXDYDNUSA-N -1 3 393.451 0.576 20 30 GCEDHM C=C(Cl)CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000823883622 609364887 /nfs/dbraw/zinc/36/48/87/609364887.db2.gz VUIQOLIXAMYHHZ-UHFFFAOYSA-N -1 3 390.766 0.999 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)C#N ZINC000824640998 609430640 /nfs/dbraw/zinc/43/06/40/609430640.db2.gz QVIFNGNCJLAJMF-SNVBAGLBSA-N -1 3 377.430 0.199 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)C#N ZINC000824640998 609430644 /nfs/dbraw/zinc/43/06/44/609430644.db2.gz QVIFNGNCJLAJMF-SNVBAGLBSA-N -1 3 377.430 0.199 20 30 GCEDHM C#CCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000823845585 609540160 /nfs/dbraw/zinc/54/01/60/609540160.db2.gz WGYDUBULAQBCCU-UHFFFAOYSA-N -1 3 380.861 0.850 20 30 GCEDHM C#CCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000823845585 609540161 /nfs/dbraw/zinc/54/01/61/609540161.db2.gz WGYDUBULAQBCCU-UHFFFAOYSA-N -1 3 380.861 0.850 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CCN1C1CC1 ZINC000826381009 609545691 /nfs/dbraw/zinc/54/56/91/609545691.db2.gz UURNSSIKRXIJMW-GFCCVEGCSA-N -1 3 393.860 0.881 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CCN1C1CC1 ZINC000826381009 609545693 /nfs/dbraw/zinc/54/56/93/609545693.db2.gz UURNSSIKRXIJMW-GFCCVEGCSA-N -1 3 393.860 0.881 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826383921 609606795 /nfs/dbraw/zinc/60/67/95/609606795.db2.gz XPDPEDTZUIXAFU-AWEZNQCLSA-N -1 3 376.380 0.992 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826383921 609606797 /nfs/dbraw/zinc/60/67/97/609606797.db2.gz XPDPEDTZUIXAFU-AWEZNQCLSA-N -1 3 376.380 0.992 20 30 GCEDHM N#Cc1ccc(N2CCC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000826385471 609607011 /nfs/dbraw/zinc/60/70/11/609607011.db2.gz NXZDQZRRCOGVPG-AWEZNQCLSA-N -1 3 376.380 0.992 20 30 GCEDHM N#Cc1ccc(N2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000826385471 609607013 /nfs/dbraw/zinc/60/70/13/609607013.db2.gz NXZDQZRRCOGVPG-AWEZNQCLSA-N -1 3 376.380 0.992 20 30 GCEDHM C#CCNC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000823850333 609626465 /nfs/dbraw/zinc/62/64/65/609626465.db2.gz NROZWTPUKKNWKO-GFCCVEGCSA-N -1 3 379.380 0.656 20 30 GCEDHM C#CCNC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000823850333 609626467 /nfs/dbraw/zinc/62/64/67/609626467.db2.gz NROZWTPUKKNWKO-GFCCVEGCSA-N -1 3 379.380 0.656 20 30 GCEDHM N#Cc1ccc([C@@H](O)C(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826384635 609630517 /nfs/dbraw/zinc/63/05/17/609630517.db2.gz CTRFHBQREORYSO-QGZVFWFLSA-N -1 3 392.375 0.631 20 30 GCEDHM N#Cc1ccc([C@@H](O)C(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826384635 609630519 /nfs/dbraw/zinc/63/05/19/609630519.db2.gz CTRFHBQREORYSO-QGZVFWFLSA-N -1 3 392.375 0.631 20 30 GCEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824706869 609630870 /nfs/dbraw/zinc/63/08/70/609630870.db2.gz KSIFBUYOVYADQS-UCMVZMLTSA-N -1 3 386.412 0.886 20 30 GCEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824706869 609630872 /nfs/dbraw/zinc/63/08/72/609630872.db2.gz KSIFBUYOVYADQS-UCMVZMLTSA-N -1 3 386.412 0.886 20 30 GCEDHM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824706866 609630977 /nfs/dbraw/zinc/63/09/77/609630977.db2.gz KSIFBUYOVYADQS-FVMIAERFSA-N -1 3 386.412 0.886 20 30 GCEDHM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824706866 609630978 /nfs/dbraw/zinc/63/09/78/609630978.db2.gz KSIFBUYOVYADQS-FVMIAERFSA-N -1 3 386.412 0.886 20 30 GCEDHM N#Cc1ccc(CNC(=O)COC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826385157 609634276 /nfs/dbraw/zinc/63/42/76/609634276.db2.gz ZRBYHEDFZXYARG-QGZVFWFLSA-N -1 3 392.375 0.631 20 30 GCEDHM N#Cc1ccc(CNC(=O)COC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826385157 609634279 /nfs/dbraw/zinc/63/42/79/609634279.db2.gz ZRBYHEDFZXYARG-QGZVFWFLSA-N -1 3 392.375 0.631 20 30 GCEDHM C=CCOCCNC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823926022 609641622 /nfs/dbraw/zinc/64/16/22/609641622.db2.gz WEOHXFXZQILPIH-CQSZACIVSA-N -1 3 399.411 0.391 20 30 GCEDHM C=CCOCCNC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823926022 609641624 /nfs/dbraw/zinc/64/16/24/609641624.db2.gz WEOHXFXZQILPIH-CQSZACIVSA-N -1 3 399.411 0.391 20 30 GCEDHM C=C(Br)CNC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000068934576 639956267 /nfs/dbraw/zinc/95/62/67/639956267.db2.gz JYNMRTNTJMFVTK-UHFFFAOYSA-N -1 3 385.262 0.872 20 30 GCEDHM C[C@H](CC(=O)NCCOCC(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000788107188 640184218 /nfs/dbraw/zinc/18/42/18/640184218.db2.gz WQDUFCMUDNCNHE-SNVBAGLBSA-N -1 3 375.397 0.902 20 30 GCEDHM C[C@](O)(CNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccsc1 ZINC000740940108 640219326 /nfs/dbraw/zinc/21/93/26/640219326.db2.gz RTTSGIUTXNGRNZ-INIZCTEOSA-N -1 3 379.463 0.811 20 30 GCEDHM O=C(CN=C1[N-]S(=O)(=O)c2ccccc21)Nn1cc(Br)cn1 ZINC000752900214 640417393 /nfs/dbraw/zinc/41/73/93/640417393.db2.gz RQFMMFFDXXDOMQ-UHFFFAOYSA-N -1 3 384.215 0.454 20 30 GCEDHM C[C@H](CC(=O)NC[C@H](C)S(C)(=O)=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000754240212 640450316 /nfs/dbraw/zinc/45/03/16/640450316.db2.gz SGRIYTHJTNZCDO-MNOVXSKESA-N -1 3 387.483 0.053 20 30 GCEDHM O=C(CN=C1[N-]S(=O)(=O)c2ccccc21)Nc1ccncc1Br ZINC000757948458 640518344 /nfs/dbraw/zinc/51/83/44/640518344.db2.gz UNEWOQMXIWPVIQ-UHFFFAOYSA-N -1 3 395.238 0.943 20 30 GCEDHM C[C@H](CC(=O)N(C)[C@H](C)C[S@@](C)=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000768452608 640752762 /nfs/dbraw/zinc/75/27/62/640752762.db2.gz YBSPUQFYROIOSG-DNLDONJPSA-N -1 3 385.511 0.729 20 30 GCEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000770102700 640794675 /nfs/dbraw/zinc/79/46/75/640794675.db2.gz XDJZYPNZPGGFQZ-HWWQOWPSSA-N -1 3 375.491 0.936 20 30 GCEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]N=c2ccc(S(N)(=O)=O)c[nH]2)c1 ZINC000775264874 641074652 /nfs/dbraw/zinc/07/46/52/641074652.db2.gz VBTHHPWOIBIGMZ-UHFFFAOYSA-N -1 3 387.830 0.559 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000783542890 641270817 /nfs/dbraw/zinc/27/08/17/641270817.db2.gz ZRWFFIWNFFHAAL-UHFFFAOYSA-N -1 3 390.458 0.597 20 30 GCEDHM C#CC[C@H](COC)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867567867 641357026 /nfs/dbraw/zinc/35/70/26/641357026.db2.gz BGQSSLNMCRHPQT-MRVPVSSYSA-N -1 3 383.211 0.341 20 30 GCEDHM C=C(Cl)C[C@@H]([N-]S(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)OCC ZINC000867591772 641360282 /nfs/dbraw/zinc/36/02/82/641360282.db2.gz DUDWJFCLRKPQEB-GFCCVEGCSA-N -1 3 382.866 0.734 20 30 GCEDHM C[C@H](CC(=O)N(CCO)CC(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000794044682 641482118 /nfs/dbraw/zinc/48/21/18/641482118.db2.gz JUSATZWLXGLDCJ-SNVBAGLBSA-N -1 3 375.397 0.590 20 30 GCEDHM C#CCC[C@H](O)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000799671529 641610100 /nfs/dbraw/zinc/61/01/00/641610100.db2.gz ORFLNKREWLFZQM-LBPRGKRZSA-N -1 3 375.397 0.317 20 30 GCEDHM CN1C(=O)CN([N-]C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1=O ZINC000807024916 641659962 /nfs/dbraw/zinc/65/99/62/641659962.db2.gz BZHFBZZFAVRXGP-UHFFFAOYSA-N -1 3 380.158 0.184 20 30 GCEDHM C#C[C@H]([N-]S(=O)(=O)c1cnn2cc(Br)cnc12)[C@@H]1CCCO1 ZINC000882082711 641690430 /nfs/dbraw/zinc/69/04/30/641690430.db2.gz RBJJGPGTAFWLOS-QWRGUYRKSA-N -1 3 385.243 0.951 20 30 GCEDHM CN1C(=O)CN([N-]C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1=O ZINC000815612227 641831817 /nfs/dbraw/zinc/83/18/17/641831817.db2.gz HLNTZKIYLHMPEJ-UHFFFAOYSA-N -1 3 380.158 0.184 20 30 GCEDHM CN(CC(=O)N[C@@H]1CCCN([O-])C1=O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000820482796 641961406 /nfs/dbraw/zinc/96/14/06/641961406.db2.gz RRAIUYQNMWTZKR-GFCCVEGCSA-N -1 3 375.834 0.457 20 30 GCEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1cnn(C)c1Br)C(=O)OC ZINC000867221165 642266966 /nfs/dbraw/zinc/26/69/66/642266966.db2.gz WUMDEXZINAIFIK-QMMMGPOBSA-N -1 3 382.236 0.205 20 30 GCEDHM C[C@@H](CC(=O)N1CC[C@](O)(CC#N)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000844015061 642388553 /nfs/dbraw/zinc/38/85/53/642388553.db2.gz BXMXJQGJFCMPKU-XHDPSFHLSA-N -1 3 386.861 0.669 20 30 GCEDHM O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCCN([O-])C1=O ZINC000848137258 642528663 /nfs/dbraw/zinc/52/86/63/642528663.db2.gz BRVLREVMSFXYSH-LLVKDONJSA-N -1 3 396.252 0.768 20 30 GCEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000848137672 642528742 /nfs/dbraw/zinc/52/87/42/642528742.db2.gz FEIUCXWLPHRGJM-NEPJUHHUSA-N -1 3 387.483 0.788 20 30 GCEDHM O=C(CS(=O)(=O)c1cccc(Br)c1)N[C@@H]1CCCN([O-])C1=O ZINC000848137240 642528843 /nfs/dbraw/zinc/52/88/43/642528843.db2.gz BJZMPFYXVCAKQY-LLVKDONJSA-N -1 3 391.243 0.719 20 30 GCEDHM CS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)ccc1Br ZINC000848139264 642528850 /nfs/dbraw/zinc/52/88/50/642528850.db2.gz UAIIUZWNORXSAU-SNVBAGLBSA-N -1 3 391.243 0.963 20 30 GCEDHM C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc2c(n1)CCC2 ZINC000848961128 642584600 /nfs/dbraw/zinc/58/46/00/642584600.db2.gz PXFZUCVRJLODEP-CYBMUJFWSA-N -1 3 385.511 0.985 20 30 GCEDHM N#Cc1ccc(C(=O)NCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000436785350 1192568631 /nfs/dbraw/zinc/56/86/31/1192568631.db2.gz OLJIDANDGKQIPW-UHFFFAOYSA-N -1 3 392.415 0.978 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000573471648 1192903406 /nfs/dbraw/zinc/90/34/06/1192903406.db2.gz GBVWJCJPFWZUTG-LLVKDONJSA-N -1 3 387.421 0.306 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C[C@H](C)O)CC2)ccc1F ZINC000275117313 1184524397 /nfs/dbraw/zinc/52/43/97/1184524397.db2.gz FYAGLTLMMCKWMR-ZDUSSCGKSA-N -1 3 385.461 0.429 20 30 GCEDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C(=O)N1c1cnn(C)c1 ZINC000610269809 1184714174 /nfs/dbraw/zinc/71/41/74/1184714174.db2.gz KZNHUXSRMSSYCB-YGRLFVJLSA-N -1 3 377.401 0.903 20 30 GCEDHM C=CCn1cc(C[N-]S(=O)(=O)c2cc3c(cc2OC)CCCNC3=O)nn1 ZINC000657018613 1185973132 /nfs/dbraw/zinc/97/31/32/1185973132.db2.gz RGSKBEWFDYDEGM-UHFFFAOYSA-N -1 3 391.453 0.627 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCNS(=O)(=O)NC(C)C ZINC000276998338 1186222093 /nfs/dbraw/zinc/22/20/93/1186222093.db2.gz HPTIPRCYHLXEBJ-UHFFFAOYSA-N -1 3 383.474 0.157 20 30 GCEDHM C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)C1=O ZINC000684988308 1186615281 /nfs/dbraw/zinc/61/52/81/1186615281.db2.gz VDTGFUOSMRRYGP-WCQYABFASA-N -1 3 384.458 0.204 20 30 GCEDHM C=CCN1CC[C@H](N(C)C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)C1=O ZINC000684988299 1186615343 /nfs/dbraw/zinc/61/53/43/1186615343.db2.gz VDTGFUOSMRRYGP-AAEUAGOBSA-N -1 3 384.458 0.204 20 30 GCEDHM COCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000612624304 1187544085 /nfs/dbraw/zinc/54/40/85/1187544085.db2.gz ZVOXIFZYXJHPIW-AWEZNQCLSA-N -1 3 395.481 0.870 20 30 GCEDHM Cc1nn(C)c(N2CCN(C(=O)c3cnc4c(cnn4C)c3[O-])CC2)c1C#N ZINC000473006533 1189572947 /nfs/dbraw/zinc/57/29/47/1189572947.db2.gz XRBZJJLEJKRMJM-UHFFFAOYSA-N -1 3 380.412 0.550 20 30 GCEDHM C=CCn1cc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)NC)c2OC)nn1 ZINC000425179238 1194868493 /nfs/dbraw/zinc/86/84/93/1194868493.db2.gz OYTKQHTYVHOILU-UHFFFAOYSA-N -1 3 399.860 0.964 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CN2CCOCC2)ccc1F ZINC000044535472 1195464706 /nfs/dbraw/zinc/46/47/06/1195464706.db2.gz SDKKCJNQBTYRAZ-ZDUSSCGKSA-N -1 3 385.461 0.741 20 30 GCEDHM CCNS(=O)(=O)[C@H]1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000330623401 1195700754 /nfs/dbraw/zinc/70/07/54/1195700754.db2.gz DXPAHPRCXYXCPY-ZDUSSCGKSA-N -1 3 380.470 0.749 20 30 GCEDHM N#Cc1ccc([C@@H](NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C(N)=O)cc1 ZINC000442088822 1195953683 /nfs/dbraw/zinc/95/36/83/1195953683.db2.gz ARQXGBULWAQKMO-MRXNPFEDSA-N -1 3 394.403 0.931 20 30 GCEDHM C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1 ZINC001087970037 1196140775 /nfs/dbraw/zinc/14/07/75/1196140775.db2.gz BELONUDQKIEMRD-QXSJWSMHSA-N -1 3 375.473 0.370 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)[C@@H]1CCNC1=O ZINC000760110632 1196407348 /nfs/dbraw/zinc/40/73/48/1196407348.db2.gz VXXNJAYFFSNVPI-UONOGXRCSA-N -1 3 392.481 0.487 20 30 GCEDHM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447756817 1196747599 /nfs/dbraw/zinc/74/75/99/1196747599.db2.gz HKRWNJKYLUQGLF-WFASDCNBSA-N -1 3 378.454 0.450 20 30 GCEDHM Cc1nc(NC(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1C#N ZINC000453571394 1197111651 /nfs/dbraw/zinc/11/16/51/1197111651.db2.gz FUGOGPQWTBKNKC-UHFFFAOYSA-N -1 3 393.403 0.890 20 30 GCEDHM C=CCn1cc(C[N-]S(=O)(=O)c2cc(C(=O)OC)cc(C(=O)OC)c2)nn1 ZINC000425177936 1197372156 /nfs/dbraw/zinc/37/21/56/1197372156.db2.gz JBAAUMUWWVXKAV-UHFFFAOYSA-N -1 3 394.409 0.516 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NC)ccc1F ZINC000765834426 1198992016 /nfs/dbraw/zinc/99/20/16/1198992016.db2.gz LLNMRUKVTXFABM-GXTWGEPZSA-N -1 3 383.445 0.935 20 30 GCEDHM CC(C)(C)CC[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C(N)=O ZINC001128512831 1199881428 /nfs/dbraw/zinc/88/14/28/1199881428.db2.gz AABBVRBHZKUAHL-LBPRGKRZSA-N -1 3 380.470 0.522 20 30 GCEDHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(C)o1 ZINC000536557147 1201127713 /nfs/dbraw/zinc/12/77/13/1201127713.db2.gz VNNUGGFHTKVDNJ-UHFFFAOYSA-N -1 3 380.430 0.378 20 30 GCEDHM C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000730089069 1201434802 /nfs/dbraw/zinc/43/48/02/1201434802.db2.gz TVCAANWHXVYNGK-UHFFFAOYSA-N -1 3 397.412 0.493 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NCCCN1CCCCC1=O ZINC000730184102 1201437823 /nfs/dbraw/zinc/43/78/23/1201437823.db2.gz FUXZQAJTUBBWBS-UHFFFAOYSA-N -1 3 378.454 0.244 20 30 GCEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCS(=O)CC1 ZINC000731008457 1201469242 /nfs/dbraw/zinc/46/92/42/1201469242.db2.gz SKXJFZYKPLTWDQ-CQSZACIVSA-N -1 3 397.522 0.731 20 30 GCEDHM O=C(CN=C1[N-]S(=O)(=O)c2ccccc21)NCc1cc2c([nH]c1=O)CCC2 ZINC000733181331 1201579709 /nfs/dbraw/zinc/57/97/09/1201579709.db2.gz IHLUYNKHMPKERV-UHFFFAOYSA-N -1 3 386.433 0.631 20 30 GCEDHM COc1cc(CCNC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)ccc1O ZINC000734174969 1201643746 /nfs/dbraw/zinc/64/37/46/1201643746.db2.gz LUJROMGXGOWEIP-UHFFFAOYSA-N -1 3 389.433 0.798 20 30 GCEDHM N#Cc1ccc([C@H](OC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C(N)=O)cc1 ZINC000734561861 1201655116 /nfs/dbraw/zinc/65/51/16/1201655116.db2.gz NURNTSHSHSGCOY-INIZCTEOSA-N -1 3 398.400 0.367 20 30 GCEDHM N#Cc1ccc([C@@H](OC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C(N)=O)cc1 ZINC000734561865 1201655152 /nfs/dbraw/zinc/65/51/52/1201655152.db2.gz NURNTSHSHSGCOY-MRXNPFEDSA-N -1 3 398.400 0.367 20 30 GCEDHM COCCN(CCOC)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742465890 1201797682 /nfs/dbraw/zinc/79/76/82/1201797682.db2.gz MENHAMFAHWHJLK-CYBMUJFWSA-N -1 3 383.470 0.625 20 30 GCEDHM CC(C)OC(=O)CCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742498201 1201798769 /nfs/dbraw/zinc/79/87/69/1201798769.db2.gz MXIVIFYWISYTDO-LBPRGKRZSA-N -1 3 381.454 0.962 20 30 GCEDHM C[C@H](CC(=O)N1CCC2(CC1)OCCO2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742519323 1201799166 /nfs/dbraw/zinc/79/91/66/1201799166.db2.gz OWGYGWACZWFWTM-CYBMUJFWSA-N -1 3 393.465 0.869 20 30 GCEDHM C[C@H](CC(=O)N1CCC[C@H](C(N)=O)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742483303 1201799188 /nfs/dbraw/zinc/79/91/88/1201799188.db2.gz UQWJHRVBDOBNIG-NEPJUHHUSA-N -1 3 378.454 0.228 20 30 GCEDHM C[C@H](CC(=O)N1CCC(CC(N)=O)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742549004 1201800079 /nfs/dbraw/zinc/80/00/79/1201800079.db2.gz UILIXTSYCJQDOM-GFCCVEGCSA-N -1 3 392.481 0.618 20 30 GCEDHM CCNC(=O)CN(CC)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742568106 1201801859 /nfs/dbraw/zinc/80/18/59/1201801859.db2.gz YKZXIJDICRVKDJ-GFCCVEGCSA-N -1 3 380.470 0.488 20 30 GCEDHM CCCNC(=O)CCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742568533 1201802179 /nfs/dbraw/zinc/80/21/79/1201802179.db2.gz QVVSBBJWFGXMIT-GFCCVEGCSA-N -1 3 380.470 0.536 20 30 GCEDHM CC(=O)NC1CCN(C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000742602058 1201802324 /nfs/dbraw/zinc/80/23/24/1201802324.db2.gz LPZSQQCKEAUAQC-LBPRGKRZSA-N -1 3 392.481 0.631 20 30 GCEDHM C[C@@H](CC(=O)NCC(=O)OCC1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742616324 1201802922 /nfs/dbraw/zinc/80/29/22/1201802922.db2.gz QITLSYQUTQLIGL-NSHDSACASA-N -1 3 379.438 0.573 20 30 GCEDHM CCCCOC(=O)CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742647125 1201803399 /nfs/dbraw/zinc/80/33/99/1201803399.db2.gz WTIRYIBCKNKSBO-LBPRGKRZSA-N -1 3 381.454 0.963 20 30 GCEDHM CC(C)N1CC[C@H](NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1=O ZINC000742678799 1201804624 /nfs/dbraw/zinc/80/46/24/1201804624.db2.gz IWEIFRJWPMENIC-OCCSQVGLSA-N -1 3 392.481 0.629 20 30 GCEDHM C[C@H](CC(=O)NC1(C(N)=O)CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742677092 1201804793 /nfs/dbraw/zinc/80/47/93/1201804793.db2.gz HVIVPOLZMSLEGO-LLVKDONJSA-N -1 3 378.454 0.418 20 30 GCEDHM CCOC(=O)CCN(C)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742671736 1201804840 /nfs/dbraw/zinc/80/48/40/1201804840.db2.gz JNASUGSKSDIWKK-LBPRGKRZSA-N -1 3 381.454 0.915 20 30 GCEDHM C[C@@H](CC(=O)OCCCN1CCOC1=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745498702 1201880438 /nfs/dbraw/zinc/88/04/38/1201880438.db2.gz ZVJGBQMGDBEGTP-LBPRGKRZSA-N -1 3 395.437 0.889 20 30 GCEDHM C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)c3ccccc3[n-]1)C2 ZINC001109496839 1202065014 /nfs/dbraw/zinc/06/50/14/1202065014.db2.gz RIFCURGFCHWKOU-SKDZVZGDSA-N -1 3 378.432 0.613 20 30 GCEDHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCC(=O)NCc1cccc(C#N)c1 ZINC000770115970 1202086199 /nfs/dbraw/zinc/08/61/99/1202086199.db2.gz QWPCDELCXCDRSR-OAHLLOKOSA-N -1 3 381.454 0.682 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N[C@@H](CO)c1cccc(F)c1 ZINC000771112828 1202125838 /nfs/dbraw/zinc/12/58/38/1202125838.db2.gz ZCLMGFNNVSKXIB-AWEZNQCLSA-N -1 3 377.397 0.714 20 30 GCEDHM COc1ccccc1[C@@H](CO)NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000771141037 1202127712 /nfs/dbraw/zinc/12/77/12/1202127712.db2.gz JTGMKVYAXOWANU-CQSZACIVSA-N -1 3 389.433 0.584 20 30 GCEDHM C[C@H](CC(=O)O[C@@H](C)c1nnnn1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000787719676 1205398783 /nfs/dbraw/zinc/39/87/83/1205398783.db2.gz FQCSPMDALZTUPO-ZJUUUORDSA-N -1 3 378.414 0.332 20 30 GCEDHM C[C@H](CC(=O)N1CCn2cnnc2[C@@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000791159891 1205474109 /nfs/dbraw/zinc/47/41/09/1205474109.db2.gz UERXLZBRKXPTCN-NEPJUHHUSA-N -1 3 388.453 0.699 20 30 GCEDHM C[C@H](OC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nnnn1C1CC1 ZINC000791275491 1205475715 /nfs/dbraw/zinc/47/57/15/1205475715.db2.gz OZHMCBPCCPQJLF-VIFPVBQESA-N -1 3 376.398 0.351 20 30 GCEDHM C[C@@H](CC(=O)OCC(=O)c1cnccn1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000791971951 1205482359 /nfs/dbraw/zinc/48/23/59/1205482359.db2.gz VMLRGJPRGFUVTB-NSHDSACASA-N -1 3 388.405 0.720 20 30 GCEDHM CO[C@@H]1CN(C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C[C@@H]1OC ZINC000792673730 1205492046 /nfs/dbraw/zinc/49/20/46/1205492046.db2.gz ZPYUEGIWUOEFFE-BNOWGMLFSA-N -1 3 381.454 0.376 20 30 GCEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCCCC(N)=O ZINC000772840704 1205511012 /nfs/dbraw/zinc/51/10/12/1205511012.db2.gz PTGBCEBGJJGRON-CQSZACIVSA-N -1 3 394.497 0.912 20 30 GCEDHM CC(C)[C@@](C)(NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C(N)=O ZINC000804426935 1205515491 /nfs/dbraw/zinc/51/54/91/1205515491.db2.gz HQUIGPBFWWZLIH-PIGZYNQJSA-N -1 3 380.470 0.520 20 30 GCEDHM C#CCNC(=O)CN1CCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CC1 ZINC000806786700 1205567327 /nfs/dbraw/zinc/56/73/27/1205567327.db2.gz SREXZRYEJVKCMV-UHFFFAOYSA-N -1 3 388.374 0.314 20 30 GCEDHM N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000811187832 1205648836 /nfs/dbraw/zinc/64/88/36/1205648836.db2.gz ZQBVBSYEKFLYFQ-UHFFFAOYSA-N -1 3 388.331 0.290 20 30 GCEDHM CC(C)[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000811186236 1205648842 /nfs/dbraw/zinc/64/88/42/1205648842.db2.gz HTWAKXQJIWDGMZ-DZGCQCFKSA-N -1 3 380.422 0.749 20 30 GCEDHM C[C@H](CC(=O)OCCN1CCOCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000747710124 1205651976 /nfs/dbraw/zinc/65/19/76/1205651976.db2.gz LNNVOSLRZBDPMJ-CYBMUJFWSA-N -1 3 381.454 0.379 20 30 GCEDHM COCCOCCN(C)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000811552137 1205653474 /nfs/dbraw/zinc/65/34/74/1205653474.db2.gz JVEWTNQDYSWHFP-CYBMUJFWSA-N -1 3 383.470 0.625 20 30 GCEDHM COC(=O)CCCO[N-]C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000811560835 1205653486 /nfs/dbraw/zinc/65/34/86/1205653486.db2.gz HUXCZIRQOSTWRV-AWEZNQCLSA-N -1 3 388.380 0.764 20 30 GCEDHM COCC[C@H](NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OC ZINC000812394395 1205664605 /nfs/dbraw/zinc/66/46/05/1205664605.db2.gz ZJFYTOCWAVWOGX-AAEUAGOBSA-N -1 3 397.453 0.198 20 30 GCEDHM COCC[C@]1(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CCOC1 ZINC000773335219 1205708423 /nfs/dbraw/zinc/70/84/23/1205708423.db2.gz OYIBENNVMSMVQA-UGSOOPFHSA-N -1 3 395.481 0.816 20 30 GCEDHM CCOC(=O)CO/N=C(\C(=O)Nc1[n-]cnc1C(=O)OCC)c1cc[nH]n1 ZINC001177256891 1205764917 /nfs/dbraw/zinc/76/49/17/1205764917.db2.gz AYDVUKNYXVZPDI-NHDPSOOVSA-N -1 3 378.345 0.232 20 30 GCEDHM CCOC(=O)CON=C(C(=O)Nc1nc[n-]c1C(=O)OCC)c1cc[nH]n1 ZINC001177256891 1205764918 /nfs/dbraw/zinc/76/49/18/1205764918.db2.gz AYDVUKNYXVZPDI-NHDPSOOVSA-N -1 3 378.345 0.232 20 30 GCEDHM COC(=O)[C@@H]1C[C@@H]1CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001177616655 1205773172 /nfs/dbraw/zinc/77/31/72/1205773172.db2.gz ZSHQPCZSAILYSY-DMDPSCGWSA-N -1 3 379.438 0.429 20 30 GCEDHM C[C@@H](CC(=O)NCCN=S(C)(C)=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001178451319 1205787091 /nfs/dbraw/zinc/78/70/91/1205787091.db2.gz WHLFTMHSSXSUHK-NSHDSACASA-N -1 3 386.499 0.348 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001179427553 1205809768 /nfs/dbraw/zinc/80/97/68/1205809768.db2.gz KVFFOKYFPKHSGA-MFKMUULPSA-N -1 3 380.470 0.591 20 30 GCEDHM C#CC1(O)CN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC001179978352 1205815980 /nfs/dbraw/zinc/81/59/80/1205815980.db2.gz HGTUPGBEVVHMNC-UHFFFAOYSA-N -1 3 377.249 0.868 20 30 GCEDHM CC(=O)C[C@@H]1COCCN1C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000773880761 1205832804 /nfs/dbraw/zinc/83/28/04/1205832804.db2.gz GUJWNPLFKXFFBW-TZMCWYRMSA-N -1 3 393.465 0.710 20 30 GCEDHM N#Cc1ccnc(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC001185589472 1205925070 /nfs/dbraw/zinc/92/50/70/1205925070.db2.gz YZJOBCBCBZZRPA-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM N#Cc1ccnc(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC001185589472 1205925071 /nfs/dbraw/zinc/92/50/71/1205925071.db2.gz YZJOBCBCBZZRPA-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM COC(=O)[C@H](CS)[N-]S(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001185768469 1205928668 /nfs/dbraw/zinc/92/86/68/1205928668.db2.gz FMCWJOOKPFNNKC-NSHDSACASA-N -1 3 382.504 0.777 20 30 GCEDHM C#C[C@H](NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)[C@H]1CCCO1 ZINC000775333808 1206020710 /nfs/dbraw/zinc/02/07/10/1206020710.db2.gz WRYREGOBFGFUSB-AEGPPILISA-N -1 3 375.450 0.801 20 30 GCEDHM N#Cc1cnn2c1ncc(C#N)c2[N-]C(=O)c1cc(CN2CCOCC2)on1 ZINC001190194337 1206029487 /nfs/dbraw/zinc/02/94/87/1206029487.db2.gz FBWHVYHNYCKUJE-UHFFFAOYSA-N -1 3 378.352 0.545 20 30 GCEDHM CC(C)(C)OC(=O)CC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1F)C(N)=O ZINC001190669388 1206040478 /nfs/dbraw/zinc/04/04/78/1206040478.db2.gz PSGFVYANLFLLKI-LBPRGKRZSA-N -1 3 385.417 0.951 20 30 GCEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCS(=O)(=O)N2CCCCC2)c1 ZINC001190660658 1206040710 /nfs/dbraw/zinc/04/07/10/1206040710.db2.gz AVILWIUPMPQOEY-UHFFFAOYSA-N -1 3 375.447 0.791 20 30 GCEDHM CC(C)(C)OC(=O)N1C[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2F)[C@@H](O)C1 ZINC001190663690 1206040716 /nfs/dbraw/zinc/04/07/16/1206040716.db2.gz YYXGFIQCELWXHY-OLZOCXBDSA-N -1 3 385.417 0.956 20 30 GCEDHM COC(=O)[C@H](CCCC[N-]S(=O)(=O)c1cc(C#N)ccc1F)NC(C)=O ZINC001190682063 1206044075 /nfs/dbraw/zinc/04/40/75/1206044075.db2.gz SRJFXVVHOIYSFL-AWEZNQCLSA-N -1 3 385.417 0.824 20 30 GCEDHM N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1 ZINC001571277301 945740405 /nfs/dbraw/zinc/74/04/05/945740405.db2.gz OTLJOLJXCWFUQV-QGZVFWFLSA-N -1 3 387.403 0.752 20 30 GCEDHM N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1 ZINC001571277301 945740413 /nfs/dbraw/zinc/74/04/13/945740413.db2.gz OTLJOLJXCWFUQV-QGZVFWFLSA-N -1 3 387.403 0.752 20 30 GCEDHM C[C@]12CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]1CN(c1cnc(C#N)cn1)C2 ZINC001571296221 946189890 /nfs/dbraw/zinc/18/98/90/946189890.db2.gz QZJVTZVERCJMTL-XIKOKIGWSA-N -1 3 390.411 0.455 20 30 GCEDHM C[C@]12CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]1CN(c1cnc(C#N)cn1)C2 ZINC001571296221 946189894 /nfs/dbraw/zinc/18/98/94/946189894.db2.gz QZJVTZVERCJMTL-XIKOKIGWSA-N -1 3 390.411 0.455 20 30 GCEDHM N#Cc1nccnc1N1CCC2(C[C@@H]2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571296359 946191841 /nfs/dbraw/zinc/19/18/41/946191841.db2.gz VRTJOAWBZZGPFZ-AWEZNQCLSA-N -1 3 390.411 0.645 20 30 GCEDHM N#Cc1nccnc1N1CCC2(C[C@@H]2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571296359 946191852 /nfs/dbraw/zinc/19/18/52/946191852.db2.gz VRTJOAWBZZGPFZ-AWEZNQCLSA-N -1 3 390.411 0.645 20 30 GCEDHM N#CCCN(CCN1CCOCC1)CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822811352 946195159 /nfs/dbraw/zinc/19/51/59/946195159.db2.gz XEBFXLGVDHHLFM-UHFFFAOYSA-N -1 3 398.471 0.031 20 30 GCEDHM N#CCCN(CCN1CCOCC1)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822811352 946195166 /nfs/dbraw/zinc/19/51/66/946195166.db2.gz XEBFXLGVDHHLFM-UHFFFAOYSA-N -1 3 398.471 0.031 20 30 GCEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1S[C@@H]1CCN(C2CCOCC2)C1=O ZINC000822819724 946196022 /nfs/dbraw/zinc/19/60/22/946196022.db2.gz ZMXDKDZHIHZAEY-GFCCVEGCSA-N -1 3 386.441 0.588 20 30 GCEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1S[C@@H]1CCN(C2CCOCC2)C1=O ZINC000822819724 946196030 /nfs/dbraw/zinc/19/60/30/946196030.db2.gz ZMXDKDZHIHZAEY-GFCCVEGCSA-N -1 3 386.441 0.588 20 30 GCEDHM N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000822842815 946203405 /nfs/dbraw/zinc/20/34/05/946203405.db2.gz ZZRKIUBJBYEPND-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000822842815 946203418 /nfs/dbraw/zinc/20/34/18/946203418.db2.gz ZZRKIUBJBYEPND-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)c1 ZINC001571301828 946284988 /nfs/dbraw/zinc/28/49/88/946284988.db2.gz FIODNSSAVLUBHX-IAQYHMDHSA-N -1 3 391.395 0.381 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)c1 ZINC001571301828 946284995 /nfs/dbraw/zinc/28/49/95/946284995.db2.gz FIODNSSAVLUBHX-IAQYHMDHSA-N -1 3 391.395 0.381 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC(=O)N1CCOCC1 ZINC000823909499 946515448 /nfs/dbraw/zinc/51/54/48/946515448.db2.gz GPOFFYBREXTYFN-UHFFFAOYSA-N -1 3 385.428 0.423 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC(=O)N1CCOCC1 ZINC000823909499 946515461 /nfs/dbraw/zinc/51/54/61/946515461.db2.gz GPOFFYBREXTYFN-UHFFFAOYSA-N -1 3 385.428 0.423 20 30 GCEDHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCCN(c2nccnc2C#N)C1 ZINC001571313376 946519556 /nfs/dbraw/zinc/51/95/56/946519556.db2.gz QHEOPDNCOVQXDM-VXGBXAGGSA-N -1 3 392.427 0.891 20 30 GCEDHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCN(c2nccnc2C#N)C1 ZINC001571313376 946519560 /nfs/dbraw/zinc/51/95/60/946519560.db2.gz QHEOPDNCOVQXDM-VXGBXAGGSA-N -1 3 392.427 0.891 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823931855 946521828 /nfs/dbraw/zinc/52/18/28/946521828.db2.gz HXCZPTMSVFKOIH-UHFFFAOYSA-N -1 3 398.832 0.176 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823931855 946521832 /nfs/dbraw/zinc/52/18/32/946521832.db2.gz HXCZPTMSVFKOIH-UHFFFAOYSA-N -1 3 398.832 0.176 20 30 GCEDHM CN(CC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)c1cncc(C#N)n1 ZINC001571313574 946526161 /nfs/dbraw/zinc/52/61/61/946526161.db2.gz RYXJVYJTXWEFDK-UHFFFAOYSA-N -1 3 392.427 0.845 20 30 GCEDHM CN(CC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)c1cncc(C#N)n1 ZINC001571313574 946526165 /nfs/dbraw/zinc/52/61/65/946526165.db2.gz RYXJVYJTXWEFDK-UHFFFAOYSA-N -1 3 392.427 0.845 20 30 GCEDHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001571313713 946531127 /nfs/dbraw/zinc/53/11/27/946531127.db2.gz VPSISUGNNREBLF-NSHDSACASA-N -1 3 392.427 0.891 20 30 GCEDHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001571313713 946531140 /nfs/dbraw/zinc/53/11/40/946531140.db2.gz VPSISUGNNREBLF-NSHDSACASA-N -1 3 392.427 0.891 20 30 GCEDHM C#CCN(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1C[C@](C)(O)CCOC ZINC001573281769 946679662 /nfs/dbraw/zinc/67/96/62/946679662.db2.gz BRCJURKQHSCOLQ-LJQANCHMSA-N -1 3 396.455 0.982 20 30 GCEDHM C#CCN(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1C[C@](C)(O)CCOC ZINC001573281769 946679671 /nfs/dbraw/zinc/67/96/71/946679671.db2.gz BRCJURKQHSCOLQ-LJQANCHMSA-N -1 3 396.455 0.982 20 30 GCEDHM C#CCCCCC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573284187 946737087 /nfs/dbraw/zinc/73/70/87/946737087.db2.gz UURJESBCYFLOLZ-SFHVURJKSA-N -1 3 385.428 0.082 20 30 GCEDHM C#CCCCCC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573284187 946737093 /nfs/dbraw/zinc/73/70/93/946737093.db2.gz UURJESBCYFLOLZ-SFHVURJKSA-N -1 3 385.428 0.082 20 30 GCEDHM C#CCCCCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](OC)C1 ZINC001573284282 946743710 /nfs/dbraw/zinc/74/37/10/946743710.db2.gz XSRQXIMHWQRQKT-HUUCEWRRSA-N -1 3 385.428 0.344 20 30 GCEDHM C#CCCCCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](OC)C1 ZINC001573284282 946743721 /nfs/dbraw/zinc/74/37/21/946743721.db2.gz XSRQXIMHWQRQKT-HUUCEWRRSA-N -1 3 385.428 0.344 20 30 GCEDHM C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573284576 946749207 /nfs/dbraw/zinc/74/92/07/946749207.db2.gz GMKCNZRGEWQGPL-SFHVURJKSA-N -1 3 385.428 0.082 20 30 GCEDHM C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573284576 946749214 /nfs/dbraw/zinc/74/92/14/946749214.db2.gz GMKCNZRGEWQGPL-SFHVURJKSA-N -1 3 385.428 0.082 20 30 GCEDHM C#CCCCC(=O)N1CCO[C@H]([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573284527 946749783 /nfs/dbraw/zinc/74/97/83/946749783.db2.gz FPTWJHXUEATDHF-WFASDCNBSA-N -1 3 385.428 0.344 20 30 GCEDHM C#CCCCC(=O)N1CCO[C@H]([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573284527 946749788 /nfs/dbraw/zinc/74/97/88/946749788.db2.gz FPTWJHXUEATDHF-WFASDCNBSA-N -1 3 385.428 0.344 20 30 GCEDHM C#CCCCC(=O)N(C)C[C@H](O)CN(C)c1snc(C)c1-c1nnn[n-]1 ZINC001573284578 946749801 /nfs/dbraw/zinc/74/98/01/946749801.db2.gz GNAUDSLDCMTVIW-LBPRGKRZSA-N -1 3 377.474 0.691 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573285202 946770230 /nfs/dbraw/zinc/77/02/30/946770230.db2.gz DYKLPYSSDGMDJR-LSDHHAIUSA-N -1 3 383.456 0.975 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573285202 946770237 /nfs/dbraw/zinc/77/02/37/946770237.db2.gz DYKLPYSSDGMDJR-LSDHHAIUSA-N -1 3 383.456 0.975 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(-c2nnn[n-]2)ccc1F ZINC001573285613 946782664 /nfs/dbraw/zinc/78/26/64/946782664.db2.gz JSZCKYWXHQGLPS-RCBQFDQVSA-N -1 3 384.415 0.829 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573285613 946782671 /nfs/dbraw/zinc/78/26/71/946782671.db2.gz JSZCKYWXHQGLPS-RCBQFDQVSA-N -1 3 384.415 0.829 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)C ZINC001573285706 946786061 /nfs/dbraw/zinc/78/60/61/946786061.db2.gz LNIIFMIMGOXOHD-GXTWGEPZSA-N -1 3 387.444 0.494 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)C ZINC001573285706 946786062 /nfs/dbraw/zinc/78/60/62/946786062.db2.gz LNIIFMIMGOXOHD-GXTWGEPZSA-N -1 3 387.444 0.494 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001573285813 946790270 /nfs/dbraw/zinc/79/02/70/946790270.db2.gz OBXULLKKONCWLT-GRDNDAEWSA-N -1 3 381.440 0.727 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001573285813 946790280 /nfs/dbraw/zinc/79/02/80/946790280.db2.gz OBXULLKKONCWLT-GRDNDAEWSA-N -1 3 381.440 0.727 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N[C@](C)(CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573286219 946799904 /nfs/dbraw/zinc/79/99/04/946799904.db2.gz WOWGWJWDERMIDE-BBATYDOGSA-N -1 3 385.428 0.248 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N[C@](C)(CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573286219 946799913 /nfs/dbraw/zinc/79/99/13/946799913.db2.gz WOWGWJWDERMIDE-BBATYDOGSA-N -1 3 385.428 0.248 20 30 GCEDHM C#CCOCCC(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001573286667 946815870 /nfs/dbraw/zinc/81/58/70/946815870.db2.gz HFGVMCHVVMDDQM-APWZRJJASA-N -1 3 381.440 0.919 20 30 GCEDHM C#CCOCCC(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001573286667 946815879 /nfs/dbraw/zinc/81/58/79/946815879.db2.gz HFGVMCHVVMDDQM-APWZRJJASA-N -1 3 381.440 0.919 20 30 GCEDHM C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001573286908 946821898 /nfs/dbraw/zinc/82/18/98/946821898.db2.gz CIIYBIRASYWPCP-FOLVSLTJSA-N -1 3 388.391 0.072 20 30 GCEDHM C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001573286908 946821909 /nfs/dbraw/zinc/82/19/09/946821909.db2.gz CIIYBIRASYWPCP-FOLVSLTJSA-N -1 3 388.391 0.072 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NC[C@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573287200 946829043 /nfs/dbraw/zinc/82/90/43/946829043.db2.gz MHQNCTBUMZSJIX-SGTLLEGYSA-N -1 3 385.428 0.202 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NC[C@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573287200 946829057 /nfs/dbraw/zinc/82/90/57/946829057.db2.gz MHQNCTBUMZSJIX-SGTLLEGYSA-N -1 3 385.428 0.202 20 30 GCEDHM C#CCO[C@H](C)C(=O)NC[C@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573287203 946829627 /nfs/dbraw/zinc/82/96/27/946829627.db2.gz MHQNCTBUMZSJIX-XIKOKIGWSA-N -1 3 385.428 0.202 20 30 GCEDHM C#CCO[C@H](C)C(=O)NC[C@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573287203 946829639 /nfs/dbraw/zinc/82/96/39/946829639.db2.gz MHQNCTBUMZSJIX-XIKOKIGWSA-N -1 3 385.428 0.202 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@H](O)CNc2snc(C)c2-c2nnn[n-]2)cc1 ZINC001573287107 946830834 /nfs/dbraw/zinc/83/08/34/946830834.db2.gz FDRACDHEVAOXAB-ZDUSSCGKSA-N -1 3 383.437 0.816 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)C[C@H](O)CN(C)c2ncccc2-c2nnn[n-]2)cc1 ZINC001573287216 946833486 /nfs/dbraw/zinc/83/34/86/946833486.db2.gz AHFRIPRFQRHIJR-MRXNPFEDSA-N -1 3 391.435 0.812 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)C[C@H](O)CN(C)c2ncccc2-c2nn[n-]n2)cc1 ZINC001573287216 946833497 /nfs/dbraw/zinc/83/34/97/946833497.db2.gz AHFRIPRFQRHIJR-MRXNPFEDSA-N -1 3 391.435 0.812 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)[C@H](C)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc1 ZINC001573287397 946835618 /nfs/dbraw/zinc/83/56/18/946835618.db2.gz BRCPVWPCMHWLCB-LLVKDONJSA-N -1 3 378.396 0.462 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)[C@H](C)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc1 ZINC001573287397 946835627 /nfs/dbraw/zinc/83/56/27/946835627.db2.gz BRCPVWPCMHWLCB-LLVKDONJSA-N -1 3 378.396 0.462 20 30 GCEDHM C#CCOCCC(=O)N[C@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573287514 946838180 /nfs/dbraw/zinc/83/81/80/946838180.db2.gz CWKDOBKLYIDRFX-HDJSIYSDSA-N -1 3 385.428 0.392 20 30 GCEDHM C#CCOCCC(=O)N[C@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573287514 946838192 /nfs/dbraw/zinc/83/81/92/946838192.db2.gz CWKDOBKLYIDRFX-HDJSIYSDSA-N -1 3 385.428 0.392 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)CCN(C)c2ncc(-c3nnn[n-]3)cc2F)nc1 ZINC001573287772 946847265 /nfs/dbraw/zinc/84/72/65/946847265.db2.gz FKRIATHGUVHXBS-UHFFFAOYSA-N -1 3 380.387 0.986 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)CCN(C)c2ncc(-c3nn[n-]n3)cc2F)nc1 ZINC001573287772 946847275 /nfs/dbraw/zinc/84/72/75/946847275.db2.gz FKRIATHGUVHXBS-UHFFFAOYSA-N -1 3 380.387 0.986 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)cn1 ZINC001573287781 946847431 /nfs/dbraw/zinc/84/74/31/946847431.db2.gz FMYRQISAAVXVLB-ABAIWWIYSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)cn1 ZINC001573287781 946847444 /nfs/dbraw/zinc/84/74/44/946847444.db2.gz FMYRQISAAVXVLB-ABAIWWIYSA-N -1 3 390.407 0.604 20 30 GCEDHM C#CCOCCC(=O)N(C)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573288025 946856458 /nfs/dbraw/zinc/85/64/58/946856458.db2.gz RPEBXGQNMYJCMQ-AWEZNQCLSA-N -1 3 385.428 0.298 20 30 GCEDHM C#CCOCCC(=O)N(C)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573288025 946856471 /nfs/dbraw/zinc/85/64/71/946856471.db2.gz RPEBXGQNMYJCMQ-AWEZNQCLSA-N -1 3 385.428 0.298 20 30 GCEDHM C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573288694 946877317 /nfs/dbraw/zinc/87/73/17/946877317.db2.gz XZSDRFGXHHOJPU-OLZOCXBDSA-N -1 3 385.428 0.059 20 30 GCEDHM C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573288694 946877331 /nfs/dbraw/zinc/87/73/31/946877331.db2.gz XZSDRFGXHHOJPU-OLZOCXBDSA-N -1 3 385.428 0.059 20 30 GCEDHM C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc(C)c(-c3nnn[n-]3)cn2)c1 ZINC001573289686 946887586 /nfs/dbraw/zinc/88/75/86/946887586.db2.gz BGVPTXHSSJQKLS-UHFFFAOYSA-N -1 3 375.392 0.944 20 30 GCEDHM C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc(C)c(-c3nn[n-]n3)cn2)c1 ZINC001573289686 946887600 /nfs/dbraw/zinc/88/76/00/946887600.db2.gz BGVPTXHSSJQKLS-UHFFFAOYSA-N -1 3 375.392 0.944 20 30 GCEDHM C#CCOCCC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573289647 946888124 /nfs/dbraw/zinc/88/81/24/946888124.db2.gz OVIYLYWJPARIHR-GXTWGEPZSA-N -1 3 385.428 0.249 20 30 GCEDHM C#CCOCCC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573289647 946888133 /nfs/dbraw/zinc/88/81/33/946888133.db2.gz OVIYLYWJPARIHR-GXTWGEPZSA-N -1 3 385.428 0.249 20 30 GCEDHM C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001573289728 946893158 /nfs/dbraw/zinc/89/31/58/946893158.db2.gz PMMUFGABJGJDRA-OCCSQVGLSA-N -1 3 385.428 0.059 20 30 GCEDHM C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001573289728 946893172 /nfs/dbraw/zinc/89/31/72/946893172.db2.gz PMMUFGABJGJDRA-OCCSQVGLSA-N -1 3 385.428 0.059 20 30 GCEDHM C#Cc1cncc(C(=O)N(C)C[C@H](O)CNc2nc(C)ccc2-c2nnn[n-]2)c1 ZINC001573289890 946896432 /nfs/dbraw/zinc/89/64/32/946896432.db2.gz FNLYIZZFPDRHAQ-OAHLLOKOSA-N -1 3 392.423 0.491 20 30 GCEDHM C#Cc1cncc(C(=O)N(C)C[C@H](O)CNc2nc(C)ccc2-c2nn[n-]n2)c1 ZINC001573289890 946896441 /nfs/dbraw/zinc/89/64/41/946896441.db2.gz FNLYIZZFPDRHAQ-OAHLLOKOSA-N -1 3 392.423 0.491 20 30 GCEDHM C#CCOCCC(=O)NC[C@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001573290055 946897776 /nfs/dbraw/zinc/89/77/76/946897776.db2.gz TYXONUORGIUCOS-ZDUSSCGKSA-N -1 3 388.403 0.367 20 30 GCEDHM C#CCOCCC(=O)NC[C@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001573290055 946897788 /nfs/dbraw/zinc/89/77/88/946897788.db2.gz TYXONUORGIUCOS-ZDUSSCGKSA-N -1 3 388.403 0.367 20 30 GCEDHM C#CCOCCC(=O)NCC1=CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573290299 946903297 /nfs/dbraw/zinc/90/32/97/946903297.db2.gz VMVHOGLLWPMRJC-UHFFFAOYSA-N -1 3 387.469 0.924 20 30 GCEDHM C#Cc1cccc(N(C)C(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573290430 946906242 /nfs/dbraw/zinc/90/62/42/946906242.db2.gz JQRFOAULAHHUJF-UHFFFAOYSA-N -1 3 396.432 0.789 20 30 GCEDHM C#Cc1cccc(N(C)C(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573290430 946906247 /nfs/dbraw/zinc/90/62/47/946906247.db2.gz JQRFOAULAHHUJF-UHFFFAOYSA-N -1 3 396.432 0.789 20 30 GCEDHM C#Cc1ccccc1CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573290736 946910658 /nfs/dbraw/zinc/91/06/58/946910658.db2.gz OJJXMLGOLFTHHM-MRXNPFEDSA-N -1 3 389.419 0.750 20 30 GCEDHM C#Cc1ccccc1CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573290736 946910664 /nfs/dbraw/zinc/91/06/64/946910664.db2.gz OJJXMLGOLFTHHM-MRXNPFEDSA-N -1 3 389.419 0.750 20 30 GCEDHM C=C(C)[C@H](CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)OCC ZINC001573292851 946940008 /nfs/dbraw/zinc/94/00/08/946940008.db2.gz DZVODWMHOWEWJR-ZFWWWQNUSA-N -1 3 387.444 0.897 20 30 GCEDHM C=C(C)[C@H](CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)OCC ZINC001573292851 946940015 /nfs/dbraw/zinc/94/00/15/946940015.db2.gz DZVODWMHOWEWJR-ZFWWWQNUSA-N -1 3 387.444 0.897 20 30 GCEDHM C[C@H](C#N)C(=O)N(C)CCN1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573560677 946955679 /nfs/dbraw/zinc/95/56/79/946955679.db2.gz FIQIAICXBHITFI-GFCCVEGCSA-N -1 3 387.423 0.141 20 30 GCEDHM C[C@H](C#N)C(=O)N(C)CCN1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573560677 946955686 /nfs/dbraw/zinc/95/56/86/946955686.db2.gz FIQIAICXBHITFI-GFCCVEGCSA-N -1 3 387.423 0.141 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1-c1nnn[n-]1)CCO2 ZINC001573563535 946982965 /nfs/dbraw/zinc/98/29/65/946982965.db2.gz AMENSVKZKZFCPI-KZULUSFZSA-N -1 3 385.403 0.973 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1-c1nn[n-]n1)CCO2 ZINC001573563535 946982970 /nfs/dbraw/zinc/98/29/70/946982970.db2.gz AMENSVKZKZFCPI-KZULUSFZSA-N -1 3 385.403 0.973 20 30 GCEDHM C=C(Cl)CN1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(-c3nnn[n-]3)c1)O2 ZINC001573294385 946988865 /nfs/dbraw/zinc/98/88/65/946988865.db2.gz ANEKEYUPNMLMER-LBPRGKRZSA-N -1 3 377.836 0.911 20 30 GCEDHM C=C(Cl)CN1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(-c3nn[n-]n3)c1)O2 ZINC001573294385 946988871 /nfs/dbraw/zinc/98/88/71/946988871.db2.gz ANEKEYUPNMLMER-LBPRGKRZSA-N -1 3 377.836 0.911 20 30 GCEDHM C=C(Cl)CN1CCO[C@@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001573294622 946994440 /nfs/dbraw/zinc/99/44/40/946994440.db2.gz DWRHEYXWSKXUAH-INIZCTEOSA-N -1 3 377.836 0.864 20 30 GCEDHM C=C(Cl)CN1CCO[C@@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001573294622 946994451 /nfs/dbraw/zinc/99/44/51/946994451.db2.gz DWRHEYXWSKXUAH-INIZCTEOSA-N -1 3 377.836 0.864 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573294902 947003241 /nfs/dbraw/zinc/00/32/41/947003241.db2.gz MCZUQHMIADCUQW-HUBLWGQQSA-N -1 3 387.444 0.753 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573294902 947003252 /nfs/dbraw/zinc/00/32/52/947003252.db2.gz MCZUQHMIADCUQW-HUBLWGQQSA-N -1 3 387.444 0.753 20 30 GCEDHM C=C(Cl)C[C@H](NC(=O)CNc1ccc(-c2nnn[n-]2)cn1)C(=O)OCC ZINC001573295296 947014767 /nfs/dbraw/zinc/01/47/67/947014767.db2.gz NYKKKLRAYNFHSQ-NSHDSACASA-N -1 3 379.808 0.864 20 30 GCEDHM C=C(Cl)C[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cn1)C(=O)OCC ZINC001573295296 947014776 /nfs/dbraw/zinc/01/47/76/947014776.db2.gz NYKKKLRAYNFHSQ-NSHDSACASA-N -1 3 379.808 0.864 20 30 GCEDHM C=C(Cl)CN(CCO)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573296134 947040045 /nfs/dbraw/zinc/04/00/45/947040045.db2.gz ZNMRUJNBXKIWIO-ZDUSSCGKSA-N -1 3 379.852 0.846 20 30 GCEDHM C=C(Cl)CN(CCO)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573296134 947040053 /nfs/dbraw/zinc/04/00/53/947040053.db2.gz ZNMRUJNBXKIWIO-ZDUSSCGKSA-N -1 3 379.852 0.846 20 30 GCEDHM C=C1CC(C)(C(=O)NCCOCCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573296342 947042747 /nfs/dbraw/zinc/04/27/47/947042747.db2.gz NDTYWVNXTCLCHP-UHFFFAOYSA-N -1 3 387.444 0.756 20 30 GCEDHM C=C1CC(C)(C(=O)NCCOCCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573296342 947042752 /nfs/dbraw/zinc/04/27/52/947042752.db2.gz NDTYWVNXTCLCHP-UHFFFAOYSA-N -1 3 387.444 0.756 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CC2 ZINC001573567463 947047122 /nfs/dbraw/zinc/04/71/22/947047122.db2.gz NLFFQUFAMWHRLQ-GFCCVEGCSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC[C@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001573567900 947060922 /nfs/dbraw/zinc/06/09/22/947060922.db2.gz UPAVLHRIDLTKLB-SGTLLEGYSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC[C@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001573567900 947060932 /nfs/dbraw/zinc/06/09/32/947060932.db2.gz UPAVLHRIDLTKLB-SGTLLEGYSA-N -1 3 382.428 0.809 20 30 GCEDHM C=C(Cl)CNCc1cn(C2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001573297150 947062056 /nfs/dbraw/zinc/06/20/56/947062056.db2.gz FAQDJPSYUHZICN-UHFFFAOYSA-N -1 3 388.823 0.326 20 30 GCEDHM C=C(Cl)CNCc1cn(C2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001573297150 947062065 /nfs/dbraw/zinc/06/20/65/947062065.db2.gz FAQDJPSYUHZICN-UHFFFAOYSA-N -1 3 388.823 0.326 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@@]2(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCC[C@@H]12 ZINC001573569526 947069475 /nfs/dbraw/zinc/06/94/75/947069475.db2.gz APOZDHGJBXOJBH-UCMVZMLTSA-N -1 3 382.428 0.855 20 30 GCEDHM C=C(C)C[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573298276 947073919 /nfs/dbraw/zinc/07/39/19/947073919.db2.gz BUGBQWCLCHVQMU-DGCLKSJQSA-N -1 3 375.433 0.346 20 30 GCEDHM C=C(C)C[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573298276 947073930 /nfs/dbraw/zinc/07/39/30/947073930.db2.gz BUGBQWCLCHVQMU-DGCLKSJQSA-N -1 3 375.433 0.346 20 30 GCEDHM C=CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573299573 947097401 /nfs/dbraw/zinc/09/74/01/947097401.db2.gz FTZOGGFQCJLHFD-GFCCVEGCSA-N -1 3 375.433 0.298 20 30 GCEDHM C=CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573299573 947097412 /nfs/dbraw/zinc/09/74/12/947097412.db2.gz FTZOGGFQCJLHFD-GFCCVEGCSA-N -1 3 375.433 0.298 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCO[C@@H](CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573571059 947100581 /nfs/dbraw/zinc/10/05/81/947100581.db2.gz YDRSWGNBOPCTCK-KOLCDFICSA-N -1 3 376.808 0.714 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCO[C@@H](CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573571059 947100585 /nfs/dbraw/zinc/10/05/85/947100585.db2.gz YDRSWGNBOPCTCK-KOLCDFICSA-N -1 3 376.808 0.714 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573300022 947105318 /nfs/dbraw/zinc/10/53/18/947105318.db2.gz NGXIELCXCHOFPY-WBMJQRKESA-N -1 3 386.460 0.991 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573300022 947105323 /nfs/dbraw/zinc/10/53/23/947105323.db2.gz NGXIELCXCHOFPY-WBMJQRKESA-N -1 3 386.460 0.991 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573300870 947124754 /nfs/dbraw/zinc/12/47/54/947124754.db2.gz VVSSWJMHRIDIEM-CZUORRHYSA-N -1 3 384.444 0.428 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573300870 947124760 /nfs/dbraw/zinc/12/47/60/947124760.db2.gz VVSSWJMHRIDIEM-CZUORRHYSA-N -1 3 384.444 0.428 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccccc1 ZINC001573574453 947130069 /nfs/dbraw/zinc/13/00/69/947130069.db2.gz SAMUVUVMWBAERK-ABAIWWIYSA-N -1 3 378.396 0.942 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccccc1 ZINC001573574453 947130074 /nfs/dbraw/zinc/13/00/74/947130074.db2.gz SAMUVUVMWBAERK-ABAIWWIYSA-N -1 3 378.396 0.942 20 30 GCEDHM C=CC(C)(C)C(=O)N[C@H](C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001573301285 947134911 /nfs/dbraw/zinc/13/49/11/947134911.db2.gz WOLCJSDUTMUVBM-RISCZKNCSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CC(C)(C)C(=O)N[C@H](C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001573301285 947134917 /nfs/dbraw/zinc/13/49/17/947134917.db2.gz WOLCJSDUTMUVBM-RISCZKNCSA-N -1 3 387.444 0.753 20 30 GCEDHM C[C@@H](C#N)C(=O)NC1(C2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CC1 ZINC001573575352 947137399 /nfs/dbraw/zinc/13/73/99/947137399.db2.gz XPCQSPBWYUMTDP-NSHDSACASA-N -1 3 382.428 0.855 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@H]1COC2(CN(Cc3cc(-c4nn[n-]n4)ccc3F)C2)C1 ZINC001573575610 947141562 /nfs/dbraw/zinc/14/15/62/947141562.db2.gz AEKUJVVRWZWFAR-BXUZGUMPSA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573575785 947142797 /nfs/dbraw/zinc/14/27/97/947142797.db2.gz ZYIFOYRRDHKWFM-HWPZZCPQSA-N -1 3 390.835 0.522 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573575785 947142799 /nfs/dbraw/zinc/14/27/99/947142799.db2.gz ZYIFOYRRDHKWFM-HWPZZCPQSA-N -1 3 390.835 0.522 20 30 GCEDHM C=CC(C)(C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573305547 947156757 /nfs/dbraw/zinc/15/67/57/947156757.db2.gz RQCNOSASNYVUDC-LBPRGKRZSA-N -1 3 375.433 0.346 20 30 GCEDHM C=CC(C)(C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573305547 947156763 /nfs/dbraw/zinc/15/67/63/947156763.db2.gz RQCNOSASNYVUDC-LBPRGKRZSA-N -1 3 375.433 0.346 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@H]1COC2(CN(Cc3ccc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001573578055 947180749 /nfs/dbraw/zinc/18/07/49/947180749.db2.gz XQUYOUPDPJDXIL-FZMZJTMJSA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001573578055 947180752 /nfs/dbraw/zinc/18/07/52/947180752.db2.gz XQUYOUPDPJDXIL-FZMZJTMJSA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@H](C#N)C(=O)NCCN1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573582713 947195839 /nfs/dbraw/zinc/19/58/39/947195839.db2.gz GJUKBGLRDHBLKS-LLVKDONJSA-N -1 3 389.851 0.313 20 30 GCEDHM C[C@H](C#N)C(=O)NCCN1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573582713 947195847 /nfs/dbraw/zinc/19/58/47/947195847.db2.gz GJUKBGLRDHBLKS-LLVKDONJSA-N -1 3 389.851 0.313 20 30 GCEDHM C[C@@H](C#N)C(=O)NCCN1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573582720 947196733 /nfs/dbraw/zinc/19/67/33/947196733.db2.gz GJUKBGLRDHBLKS-NSHDSACASA-N -1 3 389.851 0.313 20 30 GCEDHM C[C@@H](C#N)C(=O)NCCN1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573582720 947196740 /nfs/dbraw/zinc/19/67/40/947196740.db2.gz GJUKBGLRDHBLKS-NSHDSACASA-N -1 3 389.851 0.313 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N(C)C[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573309482 947199640 /nfs/dbraw/zinc/19/96/40/947199640.db2.gz JIQCXINBIAOLNM-FZKQIMNGSA-N -1 3 387.444 0.585 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N(C)C[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573309482 947199647 /nfs/dbraw/zinc/19/96/47/947199647.db2.gz JIQCXINBIAOLNM-FZKQIMNGSA-N -1 3 387.444 0.585 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573309481 947200066 /nfs/dbraw/zinc/20/00/66/947200066.db2.gz JIQCXINBIAOLNM-ACJLOTCBSA-N -1 3 387.444 0.585 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573309481 947200077 /nfs/dbraw/zinc/20/00/77/947200077.db2.gz JIQCXINBIAOLNM-ACJLOTCBSA-N -1 3 387.444 0.585 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC001573583790 947207862 /nfs/dbraw/zinc/20/78/62/947207862.db2.gz OVXDKDXCPOBNFH-KOLCDFICSA-N -1 3 376.808 0.396 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC001573583790 947207868 /nfs/dbraw/zinc/20/78/68/947207868.db2.gz OVXDKDXCPOBNFH-KOLCDFICSA-N -1 3 376.808 0.396 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC001573583789 947208432 /nfs/dbraw/zinc/20/84/32/947208432.db2.gz OVXDKDXCPOBNFH-GXSJLCMTSA-N -1 3 376.808 0.396 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC001573583789 947208438 /nfs/dbraw/zinc/20/84/38/947208438.db2.gz OVXDKDXCPOBNFH-GXSJLCMTSA-N -1 3 376.808 0.396 20 30 GCEDHM C[C@H](C#N)C(=O)NCCN1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573584269 947215507 /nfs/dbraw/zinc/21/55/07/947215507.db2.gz SHISINLDCBQIKM-CYBMUJFWSA-N -1 3 386.435 0.399 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573310057 947216473 /nfs/dbraw/zinc/21/64/73/947216473.db2.gz RZONLSFUVZKKGR-MSOLQXFVSA-N -1 3 387.444 0.354 20 30 GCEDHM C[C@@H](C#N)C(=O)NCCN1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573584252 947216488 /nfs/dbraw/zinc/21/64/88/947216488.db2.gz RXLZHHIIGGCWBP-ZDUSSCGKSA-N -1 3 386.435 0.399 20 30 GCEDHM C[C@@H](C#N)C(=O)NCCN1CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573584252 947216502 /nfs/dbraw/zinc/21/65/02/947216502.db2.gz RXLZHHIIGGCWBP-ZDUSSCGKSA-N -1 3 386.435 0.399 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573310057 947216490 /nfs/dbraw/zinc/21/64/90/947216490.db2.gz RZONLSFUVZKKGR-MSOLQXFVSA-N -1 3 387.444 0.354 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001573310322 947221484 /nfs/dbraw/zinc/22/14/84/947221484.db2.gz WDHPULAFMSZJSD-YRILPIOLSA-N -1 3 385.428 0.195 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001573310322 947221496 /nfs/dbraw/zinc/22/14/96/947221496.db2.gz WDHPULAFMSZJSD-YRILPIOLSA-N -1 3 385.428 0.195 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573310333 947221593 /nfs/dbraw/zinc/22/15/93/947221593.db2.gz WOAZOXCGBWSOLN-KZULUSFZSA-N -1 3 387.444 0.633 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573310333 947221595 /nfs/dbraw/zinc/22/15/95/947221595.db2.gz WOAZOXCGBWSOLN-KZULUSFZSA-N -1 3 387.444 0.633 20 30 GCEDHM CCOC(=O)c1cnn(CC(=O)N(CC#N)c2ccccc2)c1-c1nnn[n-]1 ZINC000825564784 947222395 /nfs/dbraw/zinc/22/23/95/947222395.db2.gz FOPLWLVDNIXHFE-UHFFFAOYSA-N -1 3 380.368 0.797 20 30 GCEDHM C=C[C@@H](CC)CC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573316354 947271550 /nfs/dbraw/zinc/27/15/50/947271550.db2.gz VZPLUBMFFYZMHM-STQMWFEESA-N -1 3 387.444 0.754 20 30 GCEDHM C=C[C@@H](CC)CC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573316354 947271559 /nfs/dbraw/zinc/27/15/59/947271559.db2.gz VZPLUBMFFYZMHM-STQMWFEESA-N -1 3 387.444 0.754 20 30 GCEDHM C=CCCCC(=O)NC[C@@]1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001573334369 947454017 /nfs/dbraw/zinc/45/40/17/947454017.db2.gz MLROWVLFEAWNFD-SFHVURJKSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCCCC(=O)NC[C@@]1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001573334369 947454022 /nfs/dbraw/zinc/45/40/22/947454022.db2.gz MLROWVLFEAWNFD-SFHVURJKSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCCCC(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1 ZINC001573334741 947461544 /nfs/dbraw/zinc/46/15/44/947461544.db2.gz QZTWERUEKRHCIT-UHFFFAOYSA-N -1 3 387.444 0.946 20 30 GCEDHM C=CCCCC(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1 ZINC001573334741 947461551 /nfs/dbraw/zinc/46/15/51/947461551.db2.gz QZTWERUEKRHCIT-UHFFFAOYSA-N -1 3 387.444 0.946 20 30 GCEDHM C=CCCC1(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)CC1 ZINC001573334795 947464691 /nfs/dbraw/zinc/46/46/91/947464691.db2.gz RTKHVIGIXLCSDR-KGLIPLIRSA-N -1 3 385.428 0.243 20 30 GCEDHM C=CCCC1(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)CC1 ZINC001573334795 947464697 /nfs/dbraw/zinc/46/46/97/947464697.db2.gz RTKHVIGIXLCSDR-KGLIPLIRSA-N -1 3 385.428 0.243 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573335693 947484816 /nfs/dbraw/zinc/48/48/16/947484816.db2.gz CLOPKHOEMRSTEP-DZGCQCFKSA-N -1 3 387.444 0.882 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573335693 947484828 /nfs/dbraw/zinc/48/48/28/947484828.db2.gz CLOPKHOEMRSTEP-DZGCQCFKSA-N -1 3 387.444 0.882 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573335804 947490618 /nfs/dbraw/zinc/49/06/18/947490618.db2.gz DRXCGMAQOLRGKZ-BZPMIXESSA-N -1 3 387.444 0.801 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573335804 947490623 /nfs/dbraw/zinc/49/06/23/947490623.db2.gz DRXCGMAQOLRGKZ-BZPMIXESSA-N -1 3 387.444 0.801 20 30 GCEDHM C=CCCO[C@H](C)C(=O)NC[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573336203 947502982 /nfs/dbraw/zinc/50/29/82/947502982.db2.gz LAUCKIPJDPSXKK-TZMCWYRMSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCO[C@H](C)C(=O)NC[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573336203 947502992 /nfs/dbraw/zinc/50/29/92/947502992.db2.gz LAUCKIPJDPSXKK-TZMCWYRMSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573336981 947511394 /nfs/dbraw/zinc/51/13/94/947511394.db2.gz SHXYQXVGLVEFRO-LBPRGKRZSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573336981 947511404 /nfs/dbraw/zinc/51/14/04/947511404.db2.gz SHXYQXVGLVEFRO-LBPRGKRZSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCn1cc(C(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)nn1 ZINC001573342439 947542773 /nfs/dbraw/zinc/54/27/73/947542773.db2.gz YOSWJFUOOAONPG-GFCCVEGCSA-N -1 3 380.416 0.756 20 30 GCEDHM C=CCCn1cc(C(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)nn1 ZINC001573342439 947542783 /nfs/dbraw/zinc/54/27/83/947542783.db2.gz YOSWJFUOOAONPG-GFCCVEGCSA-N -1 3 380.416 0.756 20 30 GCEDHM C=CCOCC(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC[C@H]21 ZINC001573342839 947548436 /nfs/dbraw/zinc/54/84/36/947548436.db2.gz FMEWDYQLCMYIIF-IUODEOHRSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCOCC(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC[C@H]21 ZINC001573342839 947548445 /nfs/dbraw/zinc/54/84/45/947548445.db2.gz FMEWDYQLCMYIIF-IUODEOHRSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCOCC(=O)N1CCO[C@@H]([C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573343263 947555444 /nfs/dbraw/zinc/55/54/44/947555444.db2.gz LVKRRBKBLGWUEQ-DZGCQCFKSA-N -1 3 387.444 0.801 20 30 GCEDHM C=CCOCC(=O)N1CCO[C@@H]([C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573343263 947555448 /nfs/dbraw/zinc/55/54/48/947555448.db2.gz LVKRRBKBLGWUEQ-DZGCQCFKSA-N -1 3 387.444 0.801 20 30 GCEDHM C=CCOCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001573343757 947562304 /nfs/dbraw/zinc/56/23/04/947562304.db2.gz SAUGSAODGIPELI-UBHSHLNASA-N -1 3 385.428 0.507 20 30 GCEDHM C=CCOCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573343757 947562315 /nfs/dbraw/zinc/56/23/15/947562315.db2.gz SAUGSAODGIPELI-UBHSHLNASA-N -1 3 385.428 0.507 20 30 GCEDHM C=CCOCC(=O)N1CC[C@@H]2[C@H](CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573344170 947570065 /nfs/dbraw/zinc/57/00/65/947570065.db2.gz XTDGRQQSULZYJV-IUODEOHRSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCOCC(=O)N1CC[C@@H]2[C@H](CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573344170 947570073 /nfs/dbraw/zinc/57/00/73/947570073.db2.gz XTDGRQQSULZYJV-IUODEOHRSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCOCCCC(=O)N1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573347252 947572207 /nfs/dbraw/zinc/57/22/07/947572207.db2.gz BDYWLHBQLXWORF-UHFFFAOYSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCOCCCC(=O)N1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573347252 947572214 /nfs/dbraw/zinc/57/22/14/947572214.db2.gz BDYWLHBQLXWORF-UHFFFAOYSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCOCCCC(=O)N[C@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573347633 947573719 /nfs/dbraw/zinc/57/37/19/947573719.db2.gz FUAOFUAAQRPBBQ-GOSISDBHSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCOCCCC(=O)N[C@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573347633 947573731 /nfs/dbraw/zinc/57/37/31/947573731.db2.gz FUAOFUAAQRPBBQ-GOSISDBHSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCn1cc(C(=O)N(C)C[C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)nn1 ZINC001573347909 947577114 /nfs/dbraw/zinc/57/71/14/947577114.db2.gz JHTNLSWCERDTKN-LBPRGKRZSA-N -1 3 382.432 0.920 20 30 GCEDHM C=CCn1cc(C(=O)N(C)C[C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)nn1 ZINC001573347909 947577120 /nfs/dbraw/zinc/57/71/20/947577120.db2.gz JHTNLSWCERDTKN-LBPRGKRZSA-N -1 3 382.432 0.920 20 30 GCEDHM C=CCOCCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573349042 947592148 /nfs/dbraw/zinc/59/21/48/947592148.db2.gz YGEFOPSHLAMPJI-KBPBESRZSA-N -1 3 385.428 0.603 20 30 GCEDHM C=CCOCCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573349042 947592152 /nfs/dbraw/zinc/59/21/52/947592152.db2.gz YGEFOPSHLAMPJI-KBPBESRZSA-N -1 3 385.428 0.603 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCOCCNc1ccc(-c2nnn[n-]2)nc1 ZINC001573350256 947595015 /nfs/dbraw/zinc/59/50/15/947595015.db2.gz BATCUUANXSDDIS-ZBFHGGJFSA-N -1 3 387.444 0.740 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCOCCNc1ccc(-c2nn[n-]n2)nc1 ZINC001573350256 947595022 /nfs/dbraw/zinc/59/50/22/947595022.db2.gz BATCUUANXSDDIS-ZBFHGGJFSA-N -1 3 387.444 0.740 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573350295 947595300 /nfs/dbraw/zinc/59/53/00/947595300.db2.gz CJOZOMINHVVPLJ-SNPRPXQTSA-N -1 3 385.428 0.411 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573350295 947595310 /nfs/dbraw/zinc/59/53/10/947595310.db2.gz CJOZOMINHVVPLJ-SNPRPXQTSA-N -1 3 385.428 0.411 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573350545 947598563 /nfs/dbraw/zinc/59/85/63/947598563.db2.gz FWLHCBLQIKNYTE-XPKDYRNWSA-N -1 3 399.455 0.754 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573350545 947598570 /nfs/dbraw/zinc/59/85/70/947598570.db2.gz FWLHCBLQIKNYTE-XPKDYRNWSA-N -1 3 399.455 0.754 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573350582 947600113 /nfs/dbraw/zinc/60/01/13/947600113.db2.gz GPTOVMOJIJVCGV-CABCVRRESA-N -1 3 387.444 0.394 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573350582 947600120 /nfs/dbraw/zinc/60/01/20/947600120.db2.gz GPTOVMOJIJVCGV-CABCVRRESA-N -1 3 387.444 0.394 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573350724 947601027 /nfs/dbraw/zinc/60/10/27/947601027.db2.gz FBMNYJOHJAIGEY-HIFRSBDPSA-N -1 3 399.455 0.802 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573350724 947601035 /nfs/dbraw/zinc/60/10/35/947601035.db2.gz FBMNYJOHJAIGEY-HIFRSBDPSA-N -1 3 399.455 0.802 20 30 GCEDHM C=CCn1cc(C(=O)N[C@H]2C[C@H](Nc3snc(C)c3-c3nnn[n-]3)C2)nn1 ZINC001573351176 947610601 /nfs/dbraw/zinc/61/06/01/947610601.db2.gz NMEWREHZGRQGGR-MGCOHNPYSA-N -1 3 386.445 0.782 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573351304 947612043 /nfs/dbraw/zinc/61/20/43/947612043.db2.gz PXGQXNXIUULRLJ-NFAWXSAZSA-N -1 3 385.428 0.507 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573351304 947612045 /nfs/dbraw/zinc/61/20/45/947612045.db2.gz PXGQXNXIUULRLJ-NFAWXSAZSA-N -1 3 385.428 0.507 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573351303 947612290 /nfs/dbraw/zinc/61/22/90/947612290.db2.gz PXGQXNXIUULRLJ-GUTXKFCHSA-N -1 3 385.428 0.507 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573351303 947612298 /nfs/dbraw/zinc/61/22/98/947612298.db2.gz PXGQXNXIUULRLJ-GUTXKFCHSA-N -1 3 385.428 0.507 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573351574 947617382 /nfs/dbraw/zinc/61/73/82/947617382.db2.gz SQBDKJSGGAVPGO-HIFRSBDPSA-N -1 3 385.428 0.460 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573351574 947617386 /nfs/dbraw/zinc/61/73/86/947617386.db2.gz SQBDKJSGGAVPGO-HIFRSBDPSA-N -1 3 385.428 0.460 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)CCO1 ZINC001573352195 947628563 /nfs/dbraw/zinc/62/85/63/947628563.db2.gz YIKXTYFDZMAJDI-BMFZPTHFSA-N -1 3 399.455 0.483 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)CCO1 ZINC001573352195 947628570 /nfs/dbraw/zinc/62/85/70/947628570.db2.gz YIKXTYFDZMAJDI-BMFZPTHFSA-N -1 3 399.455 0.483 20 30 GCEDHM N#Cc1cc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c[nH]1 ZINC000826383657 948184491 /nfs/dbraw/zinc/18/44/91/948184491.db2.gz KRSPBPRIHFAOSP-IINYFYTJSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1cc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c[nH]1 ZINC000826383657 948184495 /nfs/dbraw/zinc/18/44/95/948184495.db2.gz KRSPBPRIHFAOSP-IINYFYTJSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1ccc([C@@H](O)C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cc1 ZINC000826384710 948185947 /nfs/dbraw/zinc/18/59/47/948185947.db2.gz GWUUZHZMJFZYSD-MRXNPFEDSA-N -1 3 390.407 0.516 20 30 GCEDHM N#Cc1ccc([C@@H](O)C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cc1 ZINC000826384710 948185952 /nfs/dbraw/zinc/18/59/52/948185952.db2.gz GWUUZHZMJFZYSD-MRXNPFEDSA-N -1 3 390.407 0.516 20 30 GCEDHM N#Cc1cccnc1N1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826387123 948190743 /nfs/dbraw/zinc/19/07/43/948190743.db2.gz HIRUEGJCJLSFLX-INIZCTEOSA-N -1 3 390.407 0.516 20 30 GCEDHM N#Cc1cccnc1N1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826387123 948190746 /nfs/dbraw/zinc/19/07/46/948190746.db2.gz HIRUEGJCJLSFLX-INIZCTEOSA-N -1 3 390.407 0.516 20 30 GCEDHM CC(C)(C#N)CS(=O)(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001573761367 948841170 /nfs/dbraw/zinc/84/11/70/948841170.db2.gz HXMIXQFVEYAEBG-UHFFFAOYSA-N -1 3 376.446 0.263 20 30 GCEDHM CC(C)(C#N)CS(=O)(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001573761367 948841186 /nfs/dbraw/zinc/84/11/86/948841186.db2.gz HXMIXQFVEYAEBG-UHFFFAOYSA-N -1 3 376.446 0.263 20 30 GCEDHM C[C@@]1(c2cccc(C#N)c2)NC(=O)N(Cc2ncc(-c3nnn[n-]3)cn2)C1=O ZINC001575856557 949251725 /nfs/dbraw/zinc/25/17/25/949251725.db2.gz HDJQDIFYKKVSBY-KRWDZBQOSA-N -1 3 375.352 0.496 20 30 GCEDHM C[C@@]1(c2cccc(C#N)c2)NC(=O)N(Cc2ncc(-c3nn[n-]n3)cn2)C1=O ZINC001575856557 949251740 /nfs/dbraw/zinc/25/17/40/949251740.db2.gz HDJQDIFYKKVSBY-KRWDZBQOSA-N -1 3 375.352 0.496 20 30 GCEDHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1CNc1ccnc(C#N)n1 ZINC001576168984 949658934 /nfs/dbraw/zinc/65/89/34/949658934.db2.gz DKNQPZOBGOKUCI-BXUZGUMPSA-N -1 3 392.427 0.631 20 30 GCEDHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1CNc1ccnc(C#N)n1 ZINC001576168984 949658947 /nfs/dbraw/zinc/65/89/47/949658947.db2.gz DKNQPZOBGOKUCI-BXUZGUMPSA-N -1 3 392.427 0.631 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1c1ccc(C#N)nn1 ZINC001575884565 949846880 /nfs/dbraw/zinc/84/68/80/949846880.db2.gz UVASXTBVOXWOKO-MFKMUULPSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1c1ccc(C#N)nn1 ZINC001575884565 949846901 /nfs/dbraw/zinc/84/69/01/949846901.db2.gz UVASXTBVOXWOKO-MFKMUULPSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575887274 949901035 /nfs/dbraw/zinc/90/10/35/949901035.db2.gz OBWQZWGBRDHJQN-SKDRFNHKSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575887274 949901055 /nfs/dbraw/zinc/90/10/55/949901055.db2.gz OBWQZWGBRDHJQN-SKDRFNHKSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575887360 949906573 /nfs/dbraw/zinc/90/65/73/949906573.db2.gz OFTUZHXMXGWJBI-GXSJLCMTSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575887360 949906598 /nfs/dbraw/zinc/90/65/98/949906598.db2.gz OFTUZHXMXGWJBI-GXSJLCMTSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)CSCC#N ZINC001575888419 949913385 /nfs/dbraw/zinc/91/33/85/949913385.db2.gz PZDSYYHGAAUIMJ-JQWIXIFHSA-N -1 3 388.457 0.561 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)CSCC#N ZINC001575888419 949913400 /nfs/dbraw/zinc/91/34/00/949913400.db2.gz PZDSYYHGAAUIMJ-JQWIXIFHSA-N -1 3 388.457 0.561 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)CSCC#N ZINC001575888423 949914537 /nfs/dbraw/zinc/91/45/37/949914537.db2.gz PZDSYYHGAAUIMJ-PWSUYJOCSA-N -1 3 388.457 0.561 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)CSCC#N ZINC001575888423 949914551 /nfs/dbraw/zinc/91/45/51/949914551.db2.gz PZDSYYHGAAUIMJ-PWSUYJOCSA-N -1 3 388.457 0.561 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575890787 949961617 /nfs/dbraw/zinc/96/16/17/949961617.db2.gz ZXNNUMCZLOTTRL-JOYOIKCWSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575890787 949961634 /nfs/dbraw/zinc/96/16/34/949961634.db2.gz ZXNNUMCZLOTTRL-JOYOIKCWSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1c1cnc(C#N)cn1 ZINC001575892138 950051655 /nfs/dbraw/zinc/05/16/55/950051655.db2.gz RZSPUEKPFIHGNJ-JQWIXIFHSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1c1cnc(C#N)cn1 ZINC001575892138 950051674 /nfs/dbraw/zinc/05/16/74/950051674.db2.gz RZSPUEKPFIHGNJ-JQWIXIFHSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1c1cnc(C#N)cn1 ZINC001575892140 950055139 /nfs/dbraw/zinc/05/51/39/950055139.db2.gz RZSPUEKPFIHGNJ-ZYHUDNBSSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1c1cnc(C#N)cn1 ZINC001575892140 950055159 /nfs/dbraw/zinc/05/51/59/950055159.db2.gz RZSPUEKPFIHGNJ-ZYHUDNBSSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001576191238 950193741 /nfs/dbraw/zinc/19/37/41/950193741.db2.gz HFIRXBFYEQZENC-VXGBXAGGSA-N -1 3 392.427 0.489 20 30 GCEDHM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001576191238 950193758 /nfs/dbraw/zinc/19/37/58/950193758.db2.gz HFIRXBFYEQZENC-VXGBXAGGSA-N -1 3 392.427 0.489 20 30 GCEDHM C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576218325 950784784 /nfs/dbraw/zinc/78/47/84/950784784.db2.gz QSJOFRXXXKBDOM-JSGCOSHPSA-N -1 3 381.440 0.823 20 30 GCEDHM C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576218325 950784803 /nfs/dbraw/zinc/78/48/03/950784803.db2.gz QSJOFRXXXKBDOM-JSGCOSHPSA-N -1 3 381.440 0.823 20 30 GCEDHM C[C@@](CNc1ccnc(C#N)n1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575145245 952180590 /nfs/dbraw/zinc/18/05/90/952180590.db2.gz UGEQXQPGBFYJBG-KRWDZBQOSA-N -1 3 378.400 0.289 20 30 GCEDHM C[C@@](CNc1ccnc(C#N)n1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575145245 952180597 /nfs/dbraw/zinc/18/05/97/952180597.db2.gz UGEQXQPGBFYJBG-KRWDZBQOSA-N -1 3 378.400 0.289 20 30 GCEDHM C[C@](CNc1cncc(C#N)n1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575164022 952286173 /nfs/dbraw/zinc/28/61/73/952286173.db2.gz ARHCSWUEMQSRNV-QGZVFWFLSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@](CNc1cncc(C#N)n1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575164022 952286180 /nfs/dbraw/zinc/28/61/80/952286180.db2.gz ARHCSWUEMQSRNV-QGZVFWFLSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@@](CNc1nccnc1C#N)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575177001 952397823 /nfs/dbraw/zinc/39/78/23/952397823.db2.gz GAYGZJQYVLSATO-KRWDZBQOSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@@](CNc1nccnc1C#N)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575177001 952397830 /nfs/dbraw/zinc/39/78/30/952397830.db2.gz GAYGZJQYVLSATO-KRWDZBQOSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1cnccc1NCC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571128145 952563922 /nfs/dbraw/zinc/56/39/22/952563922.db2.gz PACKAMYWOHKCBG-UHFFFAOYSA-N -1 3 377.412 0.848 20 30 GCEDHM N#Cc1cnccc1NCC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571128145 952563923 /nfs/dbraw/zinc/56/39/23/952563923.db2.gz PACKAMYWOHKCBG-UHFFFAOYSA-N -1 3 377.412 0.848 20 30 GCEDHM C[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CN1c1cnc(C#N)cn1 ZINC001571135703 952608058 /nfs/dbraw/zinc/60/80/58/952608058.db2.gz BIWRPCQZPZLKOS-MNOVXSKESA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CN1c1cnc(C#N)cn1 ZINC001571135703 952608060 /nfs/dbraw/zinc/60/80/60/952608060.db2.gz BIWRPCQZPZLKOS-MNOVXSKESA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001571135819 952609254 /nfs/dbraw/zinc/60/92/54/952609254.db2.gz FHDCXEDZXZQPSB-ZYHUDNBSSA-N -1 3 378.400 0.099 20 30 GCEDHM C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001571135819 952609257 /nfs/dbraw/zinc/60/92/57/952609257.db2.gz FHDCXEDZXZQPSB-ZYHUDNBSSA-N -1 3 378.400 0.099 20 30 GCEDHM CN(C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccc(C#N)nn1 ZINC001571135886 952609957 /nfs/dbraw/zinc/60/99/57/952609957.db2.gz GZRJKQCKDAMIBB-NSHDSACASA-N -1 3 378.400 0.455 20 30 GCEDHM CN(C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccc(C#N)nn1 ZINC001571135886 952609962 /nfs/dbraw/zinc/60/99/62/952609962.db2.gz GZRJKQCKDAMIBB-NSHDSACASA-N -1 3 378.400 0.455 20 30 GCEDHM N#Cc1cncc(N[C@@H]2CC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571135902 952610104 /nfs/dbraw/zinc/61/01/04/952610104.db2.gz HJSGKEMKNPTVGL-CMPLNLGQSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1cncc(N[C@@H]2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571135902 952610107 /nfs/dbraw/zinc/61/01/07/952610107.db2.gz HJSGKEMKNPTVGL-CMPLNLGQSA-N -1 3 378.400 0.867 20 30 GCEDHM Cc1cc(C#N)nc(NC2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571136007 952610826 /nfs/dbraw/zinc/61/08/26/952610826.db2.gz KFHFVCBNSYITEJ-UHFFFAOYSA-N -1 3 378.400 0.785 20 30 GCEDHM Cc1cc(C#N)nc(NC2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571136007 952610830 /nfs/dbraw/zinc/61/08/30/952610830.db2.gz KFHFVCBNSYITEJ-UHFFFAOYSA-N -1 3 378.400 0.785 20 30 GCEDHM CCc1nc(C#N)cc(N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571135946 952611301 /nfs/dbraw/zinc/61/13/01/952611301.db2.gz IYPWDOLENNWXNY-LLVKDONJSA-N -1 3 378.400 0.745 20 30 GCEDHM CCc1nc(C#N)cc(N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571135946 952611302 /nfs/dbraw/zinc/61/13/02/952611302.db2.gz IYPWDOLENNWXNY-LLVKDONJSA-N -1 3 378.400 0.745 20 30 GCEDHM N#Cc1nccc(NC[C@H]2CCCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001571135957 952611356 /nfs/dbraw/zinc/61/13/56/952611356.db2.gz JEWXZJSRBQJUEC-GFCCVEGCSA-N -1 3 378.400 0.385 20 30 GCEDHM N#Cc1nccc(NC[C@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001571135957 952611357 /nfs/dbraw/zinc/61/13/57/952611357.db2.gz JEWXZJSRBQJUEC-GFCCVEGCSA-N -1 3 378.400 0.385 20 30 GCEDHM CN(c1cnc(C#N)cn1)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571136070 952611902 /nfs/dbraw/zinc/61/19/02/952611902.db2.gz LRTBXSPHZMVQCE-CYBMUJFWSA-N -1 3 378.400 0.597 20 30 GCEDHM CN(c1cnc(C#N)cn1)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571136070 952611905 /nfs/dbraw/zinc/61/19/05/952611905.db2.gz LRTBXSPHZMVQCE-CYBMUJFWSA-N -1 3 378.400 0.597 20 30 GCEDHM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1CNc1ccc(C#N)nn1 ZINC001571136090 952612235 /nfs/dbraw/zinc/61/22/35/952612235.db2.gz MHWUYVYXMAYAAG-GHMZBOCLSA-N -1 3 378.400 0.677 20 30 GCEDHM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1CNc1ccc(C#N)nn1 ZINC001571136090 952612238 /nfs/dbraw/zinc/61/22/38/952612238.db2.gz MHWUYVYXMAYAAG-GHMZBOCLSA-N -1 3 378.400 0.677 20 30 GCEDHM C[C@@H](Nc1cnc(C#N)cn1)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571136364 952612740 /nfs/dbraw/zinc/61/27/40/952612740.db2.gz OSSRUHIJHJAKDV-MNOVXSKESA-N -1 3 378.400 0.819 20 30 GCEDHM C[C@@H](Nc1cnc(C#N)cn1)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571136364 952612744 /nfs/dbraw/zinc/61/27/44/952612744.db2.gz OSSRUHIJHJAKDV-MNOVXSKESA-N -1 3 378.400 0.819 20 30 GCEDHM N#Cc1nccnc1NC[C@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571136626 952615230 /nfs/dbraw/zinc/61/52/30/952615230.db2.gz TUTGTEIXNASIJY-QWRGUYRKSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1nccnc1NC[C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571136626 952615235 /nfs/dbraw/zinc/61/52/35/952615235.db2.gz TUTGTEIXNASIJY-QWRGUYRKSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@H]1Nc1nccnc1C#N ZINC001571136990 952616809 /nfs/dbraw/zinc/61/68/09/952616809.db2.gz ZANIKWDKKUXBRO-CMPLNLGQSA-N -1 3 378.400 0.819 20 30 GCEDHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@H]1Nc1nccnc1C#N ZINC001571136990 952616811 /nfs/dbraw/zinc/61/68/11/952616811.db2.gz ZANIKWDKKUXBRO-CMPLNLGQSA-N -1 3 378.400 0.819 20 30 GCEDHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@@H]1Nc1nccnc1C#N ZINC001571136991 952617549 /nfs/dbraw/zinc/61/75/49/952617549.db2.gz ZANIKWDKKUXBRO-JQWIXIFHSA-N -1 3 378.400 0.819 20 30 GCEDHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@@H]1Nc1nccnc1C#N ZINC001571136991 952617553 /nfs/dbraw/zinc/61/75/53/952617553.db2.gz ZANIKWDKKUXBRO-JQWIXIFHSA-N -1 3 378.400 0.819 20 30 GCEDHM C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571139130 952618856 /nfs/dbraw/zinc/61/88/56/952618856.db2.gz COGRFFREYKJUSN-RNCFNFMXSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571139130 952618868 /nfs/dbraw/zinc/61/88/68/952618868.db2.gz COGRFFREYKJUSN-RNCFNFMXSA-N -1 3 379.384 0.428 20 30 GCEDHM N#Cc1cc(C(=O)NCC2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c[nH]1 ZINC001571139425 952619977 /nfs/dbraw/zinc/61/99/77/952619977.db2.gz HLXUNBQBIKLGSP-UHFFFAOYSA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1cc(C(=O)NCC2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c[nH]1 ZINC001571139425 952619979 /nfs/dbraw/zinc/61/99/79/952619979.db2.gz HLXUNBQBIKLGSP-UHFFFAOYSA-N -1 3 379.384 0.333 20 30 GCEDHM Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](C)[C@H](C(=O)[O-])C3)CC2)o1 ZINC001605398207 973380535 /nfs/dbraw/zinc/38/05/35/973380535.db2.gz DSDOKQVQAQNJED-TZMCWYRMSA-N -1 3 375.429 0.546 20 30 GCEDHM C=CCOC[C@@H](NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C)C(=O)[O-] ZINC001588859970 984409740 /nfs/dbraw/zinc/40/97/40/984409740.db2.gz DDPVQFRUSJFGSB-MRXNPFEDSA-N -1 3 399.451 0.949 20 30 GCEDHM C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001588909819 984546084 /nfs/dbraw/zinc/54/60/84/984546084.db2.gz AZBBHLGMEHOWFW-RDBSUJKOSA-N -1 3 377.445 0.583 20 30 GCEDHM COc1cc(C#N)ccc1OCCN1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001599350348 998082080 /nfs/dbraw/zinc/08/20/80/998082080.db2.gz MRFANXUTTUYQCH-STQMWFEESA-N -1 3 388.380 0.025 20 30 GCEDHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N ZINC000583333045 530118613 /nfs/dbraw/zinc/11/86/13/530118613.db2.gz DKPPMHKUKFAANB-NEPJUHHUSA-N -1 3 375.472 0.532 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CSC[C@H]1C ZINC000571416603 530119981 /nfs/dbraw/zinc/11/99/81/530119981.db2.gz GVGVSZTWSULTRC-WOPDTQHZSA-N -1 3 389.524 0.907 20 30 GCEDHM N#Cc1ccc(OCC(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1Br ZINC000578023616 530123877 /nfs/dbraw/zinc/12/38/77/530123877.db2.gz PZFOFYGSKIKRKY-LBPRGKRZSA-N -1 3 393.197 0.462 20 30 GCEDHM COC(=O)COCC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000599445932 530162656 /nfs/dbraw/zinc/16/26/56/530162656.db2.gz JFMJRBIIXQEWNP-UHFFFAOYSA-N -1 3 377.216 0.789 20 30 GCEDHM CCOC(=O)[C@H](CCOC(C)(C)C)[N-]S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000409488721 530229263 /nfs/dbraw/zinc/22/92/63/530229263.db2.gz WRNKDQZXCAFWEF-OLZOCXBDSA-N -1 3 377.463 0.182 20 30 GCEDHM C[C@H]1CSC[C@@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000521271919 530231584 /nfs/dbraw/zinc/23/15/84/530231584.db2.gz OWEFEBBXUJRZRY-QWRGUYRKSA-N -1 3 375.497 0.518 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC1(C)COC1 ZINC000600762456 530242283 /nfs/dbraw/zinc/24/22/83/530242283.db2.gz XRLPJOYYCVTPKC-LBPRGKRZSA-N -1 3 387.483 0.534 20 30 GCEDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@H](C)O ZINC000287972743 530258150 /nfs/dbraw/zinc/25/81/50/530258150.db2.gz YCFRZTHAPFEPPR-CPCISQLKSA-N -1 3 377.216 0.521 20 30 GCEDHM Cc1cc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)nn1CCC#N ZINC000271135955 530268367 /nfs/dbraw/zinc/26/83/67/530268367.db2.gz OOQAGFYILRBROJ-UHFFFAOYSA-N -1 3 381.190 0.769 20 30 GCEDHM C[C@@H](C#N)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CC#N)C1CC1 ZINC000583392196 530268827 /nfs/dbraw/zinc/26/88/27/530268827.db2.gz YDANLQDYSDLEET-LBPRGKRZSA-N -1 3 382.467 0.801 20 30 GCEDHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCOC[C@H]2C#N)cc1F ZINC000271203176 530269019 /nfs/dbraw/zinc/26/90/19/530269019.db2.gz JKMUAMPDTXNSRQ-SNVBAGLBSA-N -1 3 377.419 0.500 20 30 GCEDHM CN(C)S(=O)(=O)C[C@H]([N-]S(=O)(=O)c1cccc(CC#N)c1)C(F)(F)F ZINC000586770401 530307492 /nfs/dbraw/zinc/30/74/92/530307492.db2.gz HHAHRYIYMLQRSE-LBPRGKRZSA-N -1 3 399.416 0.853 20 30 GCEDHM N#CC1(CS(=O)(=O)[N-]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000570487138 530320676 /nfs/dbraw/zinc/32/06/76/530320676.db2.gz YIFHBHDTGRFUSH-UHFFFAOYSA-N -1 3 387.439 0.982 20 30 GCEDHM CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1CCCO1 ZINC000570583232 530321683 /nfs/dbraw/zinc/32/16/83/530321683.db2.gz ZUAVHDQPESUZAS-CYBMUJFWSA-N -1 3 387.483 0.678 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)CO)cc1 ZINC000572781669 530324937 /nfs/dbraw/zinc/32/49/37/530324937.db2.gz YFECWUYVXYMFRV-JTQLQIEISA-N -1 3 397.425 0.125 20 30 GCEDHM COCCN(CCC#N)S(=O)(=O)[N-][C@@H](C)c1noc(COC(C)C)n1 ZINC000589308289 530344299 /nfs/dbraw/zinc/34/42/99/530344299.db2.gz BINDSNHSIMMYNM-LBPRGKRZSA-N -1 3 375.451 0.752 20 30 GCEDHM COC(=O)[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000565460504 530352171 /nfs/dbraw/zinc/35/21/71/530352171.db2.gz ZGXNNOJPPPPTJM-ZDUSSCGKSA-N -1 3 387.845 0.364 20 30 GCEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000285110750 530390273 /nfs/dbraw/zinc/39/02/73/530390273.db2.gz OIAKJDUIHLLCII-CYBMUJFWSA-N -1 3 377.513 0.860 20 30 GCEDHM CC#CC[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC ZINC000592110286 530413623 /nfs/dbraw/zinc/41/36/23/530413623.db2.gz BREQYMMEANRZJF-SECBINFHSA-N -1 3 375.424 0.374 20 30 GCEDHM C=C[C@@H](CO)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000290133813 530430195 /nfs/dbraw/zinc/43/01/95/530430195.db2.gz HORPDIOUWMPLTR-QMMMGPOBSA-N -1 3 384.273 0.678 20 30 GCEDHM N#CCN(C1CC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCOC1 ZINC000594634019 530435702 /nfs/dbraw/zinc/43/57/02/530435702.db2.gz GBVGNJHGVRBRPD-GFCCVEGCSA-N -1 3 385.467 0.430 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)CO ZINC000594634381 530435901 /nfs/dbraw/zinc/43/59/01/530435901.db2.gz NPERAGARTQVEQK-VXGBXAGGSA-N -1 3 375.472 0.172 20 30 GCEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000594634450 530436350 /nfs/dbraw/zinc/43/63/50/530436350.db2.gz RFIPFMJXANTPDS-QWHCGFSZSA-N -1 3 387.483 0.724 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N)[C@@H]1CCCCO1 ZINC000594635431 530436603 /nfs/dbraw/zinc/43/66/03/530436603.db2.gz XGJWOCMIPMWJEN-STQMWFEESA-N -1 3 387.483 0.724 20 30 GCEDHM C[C@H](CO)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C(C)(C)C#N ZINC000594633309 530434984 /nfs/dbraw/zinc/43/49/84/530434984.db2.gz GBAKVVPMMWNKSD-LBPRGKRZSA-N -1 3 389.499 0.516 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC000594633774 530435498 /nfs/dbraw/zinc/43/54/98/530435498.db2.gz HLTQNCKVPXQEEO-YNEHKIRRSA-N -1 3 387.483 0.316 20 30 GCEDHM C[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C[C@@]1(C)CO ZINC000595961941 530451323 /nfs/dbraw/zinc/45/13/23/530451323.db2.gz NJXQNKMRUHCIAU-WFASDCNBSA-N -1 3 387.483 0.127 20 30 GCEDHM N#CCCN1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000602208499 530481863 /nfs/dbraw/zinc/48/18/63/530481863.db2.gz PJFCWDHIVSBEEF-UHFFFAOYSA-N -1 3 376.891 0.738 20 30 GCEDHM CNS(=O)(=O)Cc1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000617464997 530500348 /nfs/dbraw/zinc/50/03/48/530500348.db2.gz TZLYYWVFSFHNTI-UHFFFAOYSA-N -1 3 380.451 0.481 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCCO1 ZINC000570985583 530515242 /nfs/dbraw/zinc/51/52/42/530515242.db2.gz KSLWTDKFZNWHIJ-QWHCGFSZSA-N -1 3 387.483 0.724 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCS[C@@H]2COCC[C@H]21 ZINC000366390285 530520469 /nfs/dbraw/zinc/52/04/69/530520469.db2.gz VPBSJIYMIXTJRX-CHWSQXEVSA-N -1 3 381.479 0.458 20 30 GCEDHM CN(C1CC(O)C1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000563430751 530525918 /nfs/dbraw/zinc/52/59/18/530525918.db2.gz FIDUEKVKWLGVAW-UHFFFAOYSA-N -1 3 387.483 0.411 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CO[C@H](C)C1 ZINC000563429821 530525933 /nfs/dbraw/zinc/52/59/33/530525933.db2.gz FVUMRMRGXPLNNM-JHJVBQTASA-N -1 3 387.483 0.675 20 30 GCEDHM CC[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C#N)[C@@H](C)O ZINC000563431353 530526026 /nfs/dbraw/zinc/52/60/26/530526026.db2.gz OWKMHKLNMHVSHE-XQQFMLRXSA-N -1 3 389.499 0.657 20 30 GCEDHM O=C(C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)NCC#CCO ZINC000412322820 530529986 /nfs/dbraw/zinc/52/99/86/530529986.db2.gz FZYSHXARJHCXTK-UHFFFAOYSA-N -1 3 395.662 0.493 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](C)C#N ZINC000566487707 530530402 /nfs/dbraw/zinc/53/04/02/530530402.db2.gz BMPHHVGVAZZAKH-QWHCGFSZSA-N -1 3 384.483 0.951 20 30 GCEDHM C[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000566488572 530530950 /nfs/dbraw/zinc/53/09/50/530530950.db2.gz HXHYEIRGQWJRDK-NWDGAFQWSA-N -1 3 387.483 0.411 20 30 GCEDHM C[C@@H](CO)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000567061859 530537713 /nfs/dbraw/zinc/53/77/13/530537713.db2.gz ICWLMXSMTGZRCG-SMDDNHRTSA-N -1 3 389.499 0.562 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000568108460 530553643 /nfs/dbraw/zinc/55/36/43/530553643.db2.gz AMRJDXRTKNKSCC-RWMBFGLXSA-N -1 3 385.467 0.092 20 30 GCEDHM C[C@H](O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000568255920 530556513 /nfs/dbraw/zinc/55/65/13/530556513.db2.gz OLGCXSUWRFIERJ-NHYWBVRUSA-N -1 3 387.483 0.316 20 30 GCEDHM C[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N)[C@@H]1CCOC1 ZINC000563731777 530557118 /nfs/dbraw/zinc/55/71/18/530557118.db2.gz NLDWPIQJARKOHF-QWHCGFSZSA-N -1 3 387.483 0.534 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCC1(CC#N)CC1 ZINC000563733250 530557856 /nfs/dbraw/zinc/55/78/56/530557856.db2.gz SAEBHKYNXZATPZ-LBPRGKRZSA-N -1 3 382.467 0.849 20 30 GCEDHM CS[C@H](C)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N ZINC000568413117 530559173 /nfs/dbraw/zinc/55/91/73/530559173.db2.gz VCPPXHSWVLKBNS-LLVKDONJSA-N -1 3 377.513 0.860 20 30 GCEDHM C=C[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000290056939 530564293 /nfs/dbraw/zinc/56/42/93/530564293.db2.gz BPWRIDDEBLRSON-SECBINFHSA-N -1 3 388.389 0.352 20 30 GCEDHM CC1(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(CC#N)CC#N)CC1 ZINC000569120753 530567009 /nfs/dbraw/zinc/56/70/09/530567009.db2.gz PKNRFCBCSRDWHW-UHFFFAOYSA-N -1 3 382.467 0.803 20 30 GCEDHM C[C@@H]1COCC[C@@H]1CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000519181777 530589806 /nfs/dbraw/zinc/58/98/06/530589806.db2.gz QGTNWFMLFYKJAX-CHWSQXEVSA-N -1 3 387.483 0.439 20 30 GCEDHM COCCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000574532784 530592207 /nfs/dbraw/zinc/59/22/07/530592207.db2.gz RKRZHCGTNKJETB-UHFFFAOYSA-N -1 3 375.472 0.534 20 30 GCEDHM C[C@H]1CCC[C@@]1(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000574702815 530593584 /nfs/dbraw/zinc/59/35/84/530593584.db2.gz AYKNMXRJYGCJDK-SWLSCSKDSA-N -1 3 387.483 0.318 20 30 GCEDHM CC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1)[C@@H](C)O ZINC000519710792 530599787 /nfs/dbraw/zinc/59/97/87/530599787.db2.gz NJLFVJILKOWQRT-NEPJUHHUSA-N -1 3 387.483 0.459 20 30 GCEDHM C[C@H](O)CCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000575429932 530600433 /nfs/dbraw/zinc/60/04/33/530600433.db2.gz HWNIFZDLGXZJRR-LBPRGKRZSA-N -1 3 389.499 0.658 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](CO)C1CCCC1 ZINC000576292583 530607273 /nfs/dbraw/zinc/60/72/73/530607273.db2.gz RKVMLDJOZUFZGE-CYBMUJFWSA-N -1 3 387.483 0.318 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](CO)C1CCCC1 ZINC000576292586 530607353 /nfs/dbraw/zinc/60/73/53/530607353.db2.gz RKVMLDJOZUFZGE-ZDUSSCGKSA-N -1 3 387.483 0.318 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](CO)C(C)(C)C ZINC000576480579 530608928 /nfs/dbraw/zinc/60/89/28/530608928.db2.gz NACNJPROCUIAGN-CQSZACIVSA-N -1 3 389.499 0.516 20 30 GCEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(C)(O)C1 ZINC000349444896 530635837 /nfs/dbraw/zinc/63/58/37/530635837.db2.gz AXMLCKALYWVKSA-LBPRGKRZSA-N -1 3 387.483 0.412 20 30 GCEDHM N#CCN(C1CC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CC[C@H]1O ZINC000349446846 530635958 /nfs/dbraw/zinc/63/59/58/530635958.db2.gz AXUKXIJDMKUYII-CHWSQXEVSA-N -1 3 385.467 0.165 20 30 GCEDHM C[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349447013 530636083 /nfs/dbraw/zinc/63/60/83/530636083.db2.gz IDQSRLAWTFBPAP-NEPJUHHUSA-N -1 3 385.467 0.165 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C ZINC000349450732 530636751 /nfs/dbraw/zinc/63/67/51/530636751.db2.gz MIJUIRKLLBVJEJ-FRRDWIJNSA-N -1 3 387.483 0.411 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000349457173 530638389 /nfs/dbraw/zinc/63/83/89/530638389.db2.gz SESPSSHHEQXIQE-GARJFASQSA-N -1 3 379.410 0.557 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C[C@@H](C)O ZINC000349461843 530640355 /nfs/dbraw/zinc/64/03/55/530640355.db2.gz XJDWJYPRTLFDON-OLZOCXBDSA-N -1 3 389.499 0.514 20 30 GCEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(O)C2)C1 ZINC000349467941 530642748 /nfs/dbraw/zinc/64/27/48/530642748.db2.gz TYJFUVWSSFTUBV-UKRRQHHQSA-N -1 3 393.531 0.165 20 30 GCEDHM C=CCC[C@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)OCC ZINC000456625762 530620178 /nfs/dbraw/zinc/62/01/78/530620178.db2.gz KIMPUSRIPAWFKM-JTQLQIEISA-N -1 3 388.218 0.726 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCOCC1 ZINC000349469456 530643493 /nfs/dbraw/zinc/64/34/93/530643493.db2.gz KWECQWXOBZGFMY-ZDUSSCGKSA-N -1 3 387.483 0.678 20 30 GCEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)C1 ZINC000349539681 530681504 /nfs/dbraw/zinc/68/15/04/530681504.db2.gz QZDURURKDYMCQS-TUVASFSCSA-N -1 3 393.531 0.211 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000349471537 530644640 /nfs/dbraw/zinc/64/46/40/530644640.db2.gz DRBCFAUIOCJOKC-MJBXVCDLSA-N -1 3 377.532 0.762 20 30 GCEDHM CC1(C#N)CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2(C#N)CC2)C1 ZINC000349478358 530647921 /nfs/dbraw/zinc/64/79/21/530647921.db2.gz GQZAJRQBCVVYCA-UHFFFAOYSA-N -1 3 380.451 0.555 20 30 GCEDHM CN(C[C@@H]1CCC[C@@H]1O)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349480813 530649666 /nfs/dbraw/zinc/64/96/66/530649666.db2.gz LKWJCPVMHKNVQD-STQMWFEESA-N -1 3 387.483 0.270 20 30 GCEDHM CN(C[C@H]1CCC[C@@H]1O)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349480811 530649731 /nfs/dbraw/zinc/64/97/31/530649731.db2.gz LKWJCPVMHKNVQD-OLZOCXBDSA-N -1 3 387.483 0.270 20 30 GCEDHM CCN(C1COC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349481619 530650089 /nfs/dbraw/zinc/65/00/89/530650089.db2.gz NVVVVVDLDSRODZ-UHFFFAOYSA-N -1 3 385.467 0.430 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(N(C)C)C1 ZINC000349482223 530650812 /nfs/dbraw/zinc/65/08/12/530650812.db2.gz QVCZKPFGFIWMLE-LBPRGKRZSA-N -1 3 386.499 0.202 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@]1(C)CO ZINC000349496528 530657513 /nfs/dbraw/zinc/65/75/13/530657513.db2.gz PHMQORDMFVXZHN-GJZGRUSLSA-N -1 3 393.531 0.165 20 30 GCEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)C1 ZINC000349498151 530658437 /nfs/dbraw/zinc/65/84/37/530658437.db2.gz BTRROGCOGURZMB-KBPBESRZSA-N -1 3 379.504 0.388 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H](C)C1 ZINC000349509626 530665699 /nfs/dbraw/zinc/66/56/99/530665699.db2.gz YAGAIVRPRGNGHO-UONOGXRCSA-N -1 3 397.588 0.859 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCO[C@@H](C)C1 ZINC000349520229 530670918 /nfs/dbraw/zinc/67/09/18/530670918.db2.gz JIUJFSJGFZZMBR-KBPBESRZSA-N -1 3 381.520 0.285 20 30 GCEDHM CN([C@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000349529475 530674222 /nfs/dbraw/zinc/67/42/22/530674222.db2.gz ZWAZDBMUEMZGDJ-AWEZNQCLSA-N -1 3 393.531 0.573 20 30 GCEDHM C[C@H](C#N)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N=c1cc[nH]cc1 ZINC000526950854 530675873 /nfs/dbraw/zinc/67/58/73/530675873.db2.gz VXROXPJCVUXMQJ-GFCCVEGCSA-N -1 3 380.451 0.742 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]nc1C ZINC000349533958 530676745 /nfs/dbraw/zinc/67/67/45/530676745.db2.gz GSQYTIPEEBAMCB-YPMHNXCESA-N -1 3 378.476 0.113 20 30 GCEDHM N#CC1CCC(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)CC1 ZINC000349535833 530678942 /nfs/dbraw/zinc/67/89/42/530678942.db2.gz LZHSPCMDWYCGOQ-UHFFFAOYSA-N -1 3 389.503 0.791 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCC[C@H]1F ZINC000349572228 530699432 /nfs/dbraw/zinc/69/94/32/530699432.db2.gz KBUGMSZKCQCRJU-DYEKYZERSA-N -1 3 381.495 0.798 20 30 GCEDHM N#CC1(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2cncc(F)c2)CC1 ZINC000349573297 530700670 /nfs/dbraw/zinc/70/06/70/530700670.db2.gz LBAOOPLJSRHJNT-UHFFFAOYSA-N -1 3 376.435 0.576 20 30 GCEDHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H](C#N)C2)cn1 ZINC000349574419 530701232 /nfs/dbraw/zinc/70/12/32/530701232.db2.gz MKWKFWDOWORVTG-QWHCGFSZSA-N -1 3 387.487 0.529 20 30 GCEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCCCS(N)(=O)=O ZINC000591328760 530711791 /nfs/dbraw/zinc/71/17/91/530711791.db2.gz QHWIGAWJCIMLMT-UHFFFAOYSA-N -1 3 396.288 0.668 20 30 GCEDHM COC(=O)c1ccsc1N1CC[C@@H]([N-]S(=O)(=O)N(C)CCC#N)C1=O ZINC000474192037 530715404 /nfs/dbraw/zinc/71/54/04/530715404.db2.gz VCDGADJJZSDULG-LLVKDONJSA-N -1 3 386.455 0.320 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCCS(=O)(=O)N1CCCCO1 ZINC000349608705 530718761 /nfs/dbraw/zinc/71/87/61/530718761.db2.gz NDILUFYKRGFYKX-AWEZNQCLSA-N -1 3 379.504 0.735 20 30 GCEDHM C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCCS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000349617102 530722069 /nfs/dbraw/zinc/72/20/69/530722069.db2.gz MRQDEGYWUGUCRZ-VNHYZAJKSA-N -1 3 393.531 0.163 20 30 GCEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000476508605 530733748 /nfs/dbraw/zinc/73/37/48/530733748.db2.gz LGBPRYLBGNTFHE-CQSZACIVSA-N -1 3 388.511 0.934 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)CO ZINC000580725103 530750179 /nfs/dbraw/zinc/75/01/79/530750179.db2.gz NPERAGARTQVEQK-RYUDHWBXSA-N -1 3 375.472 0.172 20 30 GCEDHM CC(C)[C@@H](CO)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000580785260 530750411 /nfs/dbraw/zinc/75/04/11/530750411.db2.gz TUYHJYTWVHGWAJ-GFCCVEGCSA-N -1 3 387.483 0.316 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CC[C@H](F)C1 ZINC000581199163 530755081 /nfs/dbraw/zinc/75/50/81/530755081.db2.gz AYCIVVLAVNKYPY-NWDGAFQWSA-N -1 3 375.447 1.000 20 30 GCEDHM CO[C@H](C)[C@@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000579612908 530745015 /nfs/dbraw/zinc/74/50/15/530745015.db2.gz BLSWCRFOWZHXPY-VXGBXAGGSA-N -1 3 389.499 0.969 20 30 GCEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(=O)OC ZINC000481582060 530779584 /nfs/dbraw/zinc/77/95/84/530779584.db2.gz YKZCZFVIJUFWEU-NSHDSACASA-N -1 3 379.232 0.867 20 30 GCEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1)C(=O)OC ZINC000481606003 530779915 /nfs/dbraw/zinc/77/99/15/530779915.db2.gz IWGWXMSJFHXGGL-ZDUSSCGKSA-N -1 3 375.374 0.635 20 30 GCEDHM CS(=O)(=O)N[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000445029710 530801958 /nfs/dbraw/zinc/80/19/58/530801958.db2.gz CJLBAHNJLASRHV-STQMWFEESA-N -1 3 375.447 0.836 20 30 GCEDHM CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)F)cc1 ZINC000656366250 530835849 /nfs/dbraw/zinc/83/58/49/530835849.db2.gz MOQKFPATVNHDEU-NSHDSACASA-N -1 3 396.437 0.283 20 30 GCEDHM CN(C)S(=O)(=O)N1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000554709615 530817954 /nfs/dbraw/zinc/81/79/54/530817954.db2.gz HPBWUZHDVAFERE-NSHDSACASA-N -1 3 392.528 0.559 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(S(N)(=O)=O)ccc2F)s1 ZINC000619547583 530820174 /nfs/dbraw/zinc/82/01/74/530820174.db2.gz IQCDGPMWLLKQBX-UHFFFAOYSA-N -1 3 375.428 0.885 20 30 GCEDHM CS(=O)(=O)N1CC[C@@H](C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000513109796 530822559 /nfs/dbraw/zinc/82/25/59/530822559.db2.gz FWOUGTLPMICYLZ-JTQLQIEISA-N -1 3 388.427 0.026 20 30 GCEDHM N#Cc1ccc(Br)cc1S(=O)(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000416458302 530846793 /nfs/dbraw/zinc/84/67/93/530846793.db2.gz PTGLXRDTBBPPJM-SNVBAGLBSA-N -1 3 399.226 0.245 20 30 GCEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCN1C(=O)CNC1=O ZINC000416393808 530847004 /nfs/dbraw/zinc/84/70/04/530847004.db2.gz VWOFNTOUZYLTHZ-UHFFFAOYSA-N -1 3 387.215 0.151 20 30 GCEDHM CN(C)S(=O)(=O)CC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416483868 530847390 /nfs/dbraw/zinc/84/73/90/530847390.db2.gz OMWNQMWMSJULMO-UHFFFAOYSA-N -1 3 396.288 0.490 20 30 GCEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCCn1cc(C(N)=O)nn1 ZINC000416652975 530848085 /nfs/dbraw/zinc/84/80/85/530848085.db2.gz TZRINVCPAFJYSD-UHFFFAOYSA-N -1 3 382.833 0.661 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCC[C@H]1CCCCO1 ZINC000582856802 530856149 /nfs/dbraw/zinc/85/61/49/530856149.db2.gz GHZPMBUEZKONGG-CYBMUJFWSA-N -1 3 387.483 0.726 20 30 GCEDHM COC[C@@H]1CCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000583034616 530858116 /nfs/dbraw/zinc/85/81/16/530858116.db2.gz JJNDCJBDVVIYJB-LBPRGKRZSA-N -1 3 387.483 0.676 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@](C)(F)C1 ZINC000349458241 530874717 /nfs/dbraw/zinc/87/47/17/530874717.db2.gz GITHLBKPGWNNRF-KBPBESRZSA-N -1 3 381.495 0.752 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](C)O ZINC000583274301 530868320 /nfs/dbraw/zinc/86/83/20/530868320.db2.gz VUCFKFHKINMRJT-RYUDHWBXSA-N -1 3 375.472 0.172 20 30 GCEDHM CC(C)(C)NS(=O)(=O)CC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000533096165 530899888 /nfs/dbraw/zinc/89/98/88/530899888.db2.gz DDHUIJIENQXFMN-UHFFFAOYSA-N -1 3 390.443 0.463 20 30 GCEDHM CC(C)(C#N)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1F ZINC000349548597 530903331 /nfs/dbraw/zinc/90/33/31/530903331.db2.gz FSFNNMGWVHJIHK-UHFFFAOYSA-N -1 3 378.451 0.822 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@]23NC(=O)NC3=O)c(Cl)c1 ZINC000378604890 530903899 /nfs/dbraw/zinc/90/38/99/530903899.db2.gz IEKDCHPYQRYGDX-MEBBXXQBSA-N -1 3 382.829 0.868 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)NC1(C)CCOCC1 ZINC000349555996 530905089 /nfs/dbraw/zinc/90/50/89/530905089.db2.gz OFCCEGDWWIEAFI-HNNXBMFYSA-N -1 3 393.531 0.477 20 30 GCEDHM C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)C[C@@H]1O ZINC000349597641 530909115 /nfs/dbraw/zinc/90/91/15/530909115.db2.gz DWJJBKDIGLTGQT-IPYPFGDCSA-N -1 3 393.531 0.021 20 30 GCEDHM COCC[C@@](C)(C#N)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000508068257 530909952 /nfs/dbraw/zinc/90/99/52/530909952.db2.gz MAXNLVHEOGLLTE-ZDUSSCGKSA-N -1 3 379.435 0.794 20 30 GCEDHM C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCCS(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000349604404 530910264 /nfs/dbraw/zinc/91/02/64/530910264.db2.gz DUKRNFKBBPYVGY-NFAWXSAZSA-N -1 3 393.531 0.163 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(C)(O)C1 ZINC000349479141 530876238 /nfs/dbraw/zinc/87/62/38/530876238.db2.gz IHIKZEAAVRHDIY-LBPRGKRZSA-N -1 3 387.483 0.268 20 30 GCEDHM CC1(C)CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CCCO1 ZINC000349477611 530876543 /nfs/dbraw/zinc/87/65/43/530876543.db2.gz FQXWCSRDMWSUSK-UHFFFAOYSA-N -1 3 387.483 0.678 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C[C@H](O)C1CC1 ZINC000349482999 530877462 /nfs/dbraw/zinc/87/74/62/530877462.db2.gz UPQBZLBLLFFGPV-AAEUAGOBSA-N -1 3 387.483 0.268 20 30 GCEDHM COC[C@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-][C@@H](C)C#N)C1 ZINC000349484110 530878276 /nfs/dbraw/zinc/87/82/76/530878276.db2.gz XHNIHYFZAPNPDK-STQMWFEESA-N -1 3 387.483 0.534 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H](O)CC1 ZINC000349529776 530880394 /nfs/dbraw/zinc/88/03/94/530880394.db2.gz WRNTUQDBHQVAMQ-HIFRSBDPSA-N -1 3 393.531 0.165 20 30 GCEDHM Cc1c(Cl)cncc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(C#N)C1 ZINC000349494511 530880810 /nfs/dbraw/zinc/88/08/10/530880810.db2.gz CWJCMJSFYPZIEP-UHFFFAOYSA-N -1 3 392.890 0.960 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000349529464 530880846 /nfs/dbraw/zinc/88/08/46/530880846.db2.gz ZUKWIYFBUBPFRG-MELADBBJSA-N -1 3 397.588 1.000 20 30 GCEDHM CCN(CC)S(=O)(=O)CC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443063329 530889276 /nfs/dbraw/zinc/88/92/76/530889276.db2.gz AGLARCHPVSLTMP-UHFFFAOYSA-N -1 3 390.443 0.416 20 30 GCEDHM CN1C(=O)CC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)C1=O ZINC000425222434 530891734 /nfs/dbraw/zinc/89/17/34/530891734.db2.gz LVPAWGLUZKBYMR-SNVBAGLBSA-N -1 3 386.227 0.746 20 30 GCEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)C1 ZINC000349583731 530896228 /nfs/dbraw/zinc/89/62/28/530896228.db2.gz YHNCNIYNCORNOO-ILXRZTDVSA-N -1 3 393.531 0.477 20 30 GCEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)C1 ZINC000349583738 530896526 /nfs/dbraw/zinc/89/65/26/530896526.db2.gz YHNCNIYNCORNOO-QLFBSQMISA-N -1 3 393.531 0.477 20 30 GCEDHM CS(=O)(=O)c1ccc(OCC[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428249434 530897140 /nfs/dbraw/zinc/89/71/40/530897140.db2.gz VFEUYUNUDJCMFM-UHFFFAOYSA-N -1 3 381.435 0.714 20 30 GCEDHM CC(C)NS(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000277238743 530913198 /nfs/dbraw/zinc/91/31/98/530913198.db2.gz UJWVFVKNGPDSLT-UHFFFAOYSA-N -1 3 380.879 0.322 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCCC(C)(C)O ZINC000584851087 530925249 /nfs/dbraw/zinc/92/52/49/530925249.db2.gz URDLRCLHBRTYQY-NSHDSACASA-N -1 3 375.472 0.316 20 30 GCEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000269786925 530927663 /nfs/dbraw/zinc/92/76/63/530927663.db2.gz JCNWOXQAWSNWJO-BMIGLBTASA-N -1 3 382.829 0.868 20 30 GCEDHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2CCN(CC#N)CC2)cc1F ZINC000610915219 530927954 /nfs/dbraw/zinc/92/79/54/530927954.db2.gz PDFLBNZGLVOLPK-UHFFFAOYSA-N -1 3 390.462 0.463 20 30 GCEDHM CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)CO)cc1 ZINC000516981853 530957435 /nfs/dbraw/zinc/95/74/35/530957435.db2.gz XZYLAKHQSKLAIY-JTQLQIEISA-N -1 3 397.425 0.173 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCCC[C@@H]1O ZINC000572016182 530983740 /nfs/dbraw/zinc/98/37/40/530983740.db2.gz TYOMWZZDHZYVFG-AVGNSLFASA-N -1 3 387.483 0.459 20 30 GCEDHM C=CC[C@H](CO)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)F)cc1 ZINC000572178795 530986055 /nfs/dbraw/zinc/98/60/55/530986055.db2.gz CACQMINYZSWZCZ-NSHDSACASA-N -1 3 398.453 0.693 20 30 GCEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000611417688 530990197 /nfs/dbraw/zinc/99/01/97/530990197.db2.gz AESPQMCEPAJYIM-ZFWWWQNUSA-N -1 3 388.442 0.712 20 30 GCEDHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CCC#N)CCOC ZINC000614543034 531009454 /nfs/dbraw/zinc/00/94/54/531009454.db2.gz ISYFCULYJCIYNI-UHFFFAOYSA-N -1 3 375.472 0.536 20 30 GCEDHM N#CCCC[C@H](N)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000424183125 531028902 /nfs/dbraw/zinc/02/89/02/531028902.db2.gz IHJDVPYCJILLPX-LBPRGKRZSA-N -1 3 376.841 0.895 20 30 GCEDHM N#CC1(CS(=O)(=O)[N-]CCS(=O)(=O)N2CCSCC2)CCCCC1 ZINC000547470496 531097298 /nfs/dbraw/zinc/09/72/98/531097298.db2.gz AHZFZTPBYVTDTI-UHFFFAOYSA-N -1 3 395.572 0.758 20 30 GCEDHM N#C[C@@H]1CSCCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000547714234 531102568 /nfs/dbraw/zinc/10/25/68/531102568.db2.gz HFJZWGWHLRWINJ-GFCCVEGCSA-N -1 3 387.508 0.757 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCC[C@H](O)C1 ZINC000572542862 531160717 /nfs/dbraw/zinc/16/07/17/531160717.db2.gz PCXYFDFOVSJWLN-STQMWFEESA-N -1 3 387.483 0.318 20 30 GCEDHM C[C@]1(CO)CCC[C@@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000565231562 531182177 /nfs/dbraw/zinc/18/21/77/531182177.db2.gz SMCLMQXSCVMWIL-LSDHHAIUSA-N -1 3 387.483 0.318 20 30 GCEDHM C=CCN1CC[C@H](N(C)C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1=O ZINC000684987888 531188834 /nfs/dbraw/zinc/18/88/34/531188834.db2.gz OHNZJNBSFFOATF-JTQLQIEISA-N -1 3 391.902 0.925 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000735418580 598853427 /nfs/dbraw/zinc/85/34/27/598853427.db2.gz HDCHRPROTDOSLS-LBPRGKRZSA-N -1 3 378.458 0.997 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000735418580 598853429 /nfs/dbraw/zinc/85/34/29/598853429.db2.gz HDCHRPROTDOSLS-LBPRGKRZSA-N -1 3 378.458 0.997 20 30 GCEDHM CC(C)[C@H](C#N)NC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000735689822 598868084 /nfs/dbraw/zinc/86/80/84/598868084.db2.gz BYFSWKCCDIQNCR-KGLIPLIRSA-N -1 3 396.411 0.736 20 30 GCEDHM CC(C)[C@H](C#N)NC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735689822 598868086 /nfs/dbraw/zinc/86/80/86/598868086.db2.gz BYFSWKCCDIQNCR-KGLIPLIRSA-N -1 3 396.411 0.736 20 30 GCEDHM C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000735381932 598871323 /nfs/dbraw/zinc/87/13/23/598871323.db2.gz SMCMMNFYARBIKV-UHFFFAOYSA-N -1 3 392.416 0.156 20 30 GCEDHM C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735381932 598871326 /nfs/dbraw/zinc/87/13/26/598871326.db2.gz SMCMMNFYARBIKV-UHFFFAOYSA-N -1 3 392.416 0.156 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CCN1C1CC1 ZINC000737681302 598875041 /nfs/dbraw/zinc/87/50/41/598875041.db2.gz BSWCCXBPPRNBHZ-GFCCVEGCSA-N -1 3 377.405 0.367 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CCN1C1CC1 ZINC000737681302 598875043 /nfs/dbraw/zinc/87/50/43/598875043.db2.gz BSWCCXBPPRNBHZ-GFCCVEGCSA-N -1 3 377.405 0.367 20 30 GCEDHM C[C@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736104617 598894606 /nfs/dbraw/zinc/89/46/06/598894606.db2.gz HRZAJKNZBJRQFE-QHKYSRAXSA-N -1 3 381.396 0.960 20 30 GCEDHM CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CC1 ZINC000736658801 598919570 /nfs/dbraw/zinc/91/95/70/598919570.db2.gz JBDNVKJGMNJSDH-UHFFFAOYSA-N -1 3 389.441 0.739 20 30 GCEDHM CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CC1 ZINC000736658801 598919572 /nfs/dbraw/zinc/91/95/72/598919572.db2.gz JBDNVKJGMNJSDH-UHFFFAOYSA-N -1 3 389.441 0.739 20 30 GCEDHM N#Cc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1-c1nnn[n-]1 ZINC000737716960 598922149 /nfs/dbraw/zinc/92/21/49/598922149.db2.gz XOLHVIIIXLECQV-UHFFFAOYSA-N -1 3 380.368 0.541 20 30 GCEDHM N#Cc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1-c1nn[n-]n1 ZINC000737716960 598922150 /nfs/dbraw/zinc/92/21/50/598922150.db2.gz XOLHVIIIXLECQV-UHFFFAOYSA-N -1 3 380.368 0.541 20 30 GCEDHM C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735431547 598972996 /nfs/dbraw/zinc/97/29/96/598972996.db2.gz DNMYPKQRRDUTRN-AWEZNQCLSA-N -1 3 398.471 0.557 20 30 GCEDHM C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735431547 598972999 /nfs/dbraw/zinc/97/29/99/598972999.db2.gz DNMYPKQRRDUTRN-AWEZNQCLSA-N -1 3 398.471 0.557 20 30 GCEDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCNc1ncccc1C#N ZINC000737224319 599000765 /nfs/dbraw/zinc/00/07/65/599000765.db2.gz QYKZAJJBJDSMSL-UHFFFAOYSA-N -1 3 384.425 0.832 20 30 GCEDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCNc1ncccc1C#N ZINC000737224319 599000767 /nfs/dbraw/zinc/00/07/67/599000767.db2.gz QYKZAJJBJDSMSL-UHFFFAOYSA-N -1 3 384.425 0.832 20 30 GCEDHM N#Cc1ccc([C@@H](Sc2nc(N)c(-c3nnn[n-]3)cc2C#N)C(N)=O)cc1 ZINC000737712869 599012068 /nfs/dbraw/zinc/01/20/68/599012068.db2.gz WREYTJFARVVRAR-GFCCVEGCSA-N -1 3 377.393 0.906 20 30 GCEDHM N#Cc1ccc([C@@H](Sc2nc(N)c(-c3nn[n-]n3)cc2C#N)C(N)=O)cc1 ZINC000737712869 599012070 /nfs/dbraw/zinc/01/20/70/599012070.db2.gz WREYTJFARVVRAR-GFCCVEGCSA-N -1 3 377.393 0.906 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737846753 599056776 /nfs/dbraw/zinc/05/67/76/599056776.db2.gz MCBNRJRRBQEELK-BMRADRMJSA-N -1 3 386.343 0.966 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737846753 599056779 /nfs/dbraw/zinc/05/67/79/599056779.db2.gz MCBNRJRRBQEELK-BMRADRMJSA-N -1 3 386.343 0.966 20 30 GCEDHM C#Cc1cccc(NC(=O)CN(C)[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735391416 599068780 /nfs/dbraw/zinc/06/87/80/599068780.db2.gz SOWAGUYYJMJHCF-SFHVURJKSA-N -1 3 389.419 0.945 20 30 GCEDHM C#Cc1cccc(NC(=O)CN(C)[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735391416 599068783 /nfs/dbraw/zinc/06/87/83/599068783.db2.gz SOWAGUYYJMJHCF-SFHVURJKSA-N -1 3 389.419 0.945 20 30 GCEDHM N#Cc1ccc([C@H](OC(=O)COc2ccccc2-c2nnn[n-]2)C(N)=O)cc1 ZINC000737712755 599112016 /nfs/dbraw/zinc/11/20/16/599112016.db2.gz SJAGHWTZKJZLCQ-INIZCTEOSA-N -1 3 378.348 0.887 20 30 GCEDHM N#Cc1ccc([C@H](OC(=O)COc2ccccc2-c2nn[n-]n2)C(N)=O)cc1 ZINC000737712755 599112018 /nfs/dbraw/zinc/11/20/18/599112018.db2.gz SJAGHWTZKJZLCQ-INIZCTEOSA-N -1 3 378.348 0.887 20 30 GCEDHM N#C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737672857 599152193 /nfs/dbraw/zinc/15/21/93/599152193.db2.gz KWYPBXDOKNDFCS-LBPRGKRZSA-N -1 3 391.347 0.994 20 30 GCEDHM Cn1cc(N2CCC[C@H](Sc3nc(N)c(C#N)cc3-c3nnn[n-]3)C2=O)cn1 ZINC000737612136 599161848 /nfs/dbraw/zinc/16/18/48/599161848.db2.gz XDVWEESLANNBRU-LBPRGKRZSA-N -1 3 396.440 0.737 20 30 GCEDHM Cn1cc(N2CCC[C@H](Sc3nc(N)c(C#N)cc3-c3nn[n-]n3)C2=O)cn1 ZINC000737612136 599161850 /nfs/dbraw/zinc/16/18/50/599161850.db2.gz XDVWEESLANNBRU-LBPRGKRZSA-N -1 3 396.440 0.737 20 30 GCEDHM Cn1cc(N2CCC[C@H](Sc3nc(N)c(-c4nnn[n-]4)cc3C#N)C2=O)cn1 ZINC000737609387 599162221 /nfs/dbraw/zinc/16/22/21/599162221.db2.gz GJAHQIXQCASTIL-LBPRGKRZSA-N -1 3 396.440 0.737 20 30 GCEDHM Cn1cc(N2CCC[C@H](Sc3nc(N)c(-c4nn[n-]n4)cc3C#N)C2=O)cn1 ZINC000737609387 599162225 /nfs/dbraw/zinc/16/22/25/599162225.db2.gz GJAHQIXQCASTIL-LBPRGKRZSA-N -1 3 396.440 0.737 20 30 GCEDHM CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)o1 ZINC000736770817 599193736 /nfs/dbraw/zinc/19/37/36/599193736.db2.gz QUCUEBFZSCIPIJ-UHFFFAOYSA-N -1 3 387.381 0.834 20 30 GCEDHM CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)o1 ZINC000736770817 599193737 /nfs/dbraw/zinc/19/37/37/599193737.db2.gz QUCUEBFZSCIPIJ-UHFFFAOYSA-N -1 3 387.381 0.834 20 30 GCEDHM CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC000736658806 599196800 /nfs/dbraw/zinc/19/68/00/599196800.db2.gz JHXGXUXFVXQECW-GFCCVEGCSA-N -1 3 389.441 0.739 20 30 GCEDHM CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC000736658806 599196802 /nfs/dbraw/zinc/19/68/02/599196802.db2.gz JHXGXUXFVXQECW-GFCCVEGCSA-N -1 3 389.441 0.739 20 30 GCEDHM CC1(C)NC(=O)N(CCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1=O ZINC000736213756 599199157 /nfs/dbraw/zinc/19/91/57/599199157.db2.gz JFIVFGGKPWSOJA-UHFFFAOYSA-N -1 3 382.384 0.787 20 30 GCEDHM CC1(C)NC(=O)N(CCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1=O ZINC000736213756 599199159 /nfs/dbraw/zinc/19/91/59/599199159.db2.gz JFIVFGGKPWSOJA-UHFFFAOYSA-N -1 3 382.384 0.787 20 30 GCEDHM COC(=O)C1=C(C(C)=O)[C@H](c2ccc(OC)c(-c3nnn[n-]3)c2)NC(=S)N1 ZINC000736908584 599236858 /nfs/dbraw/zinc/23/68/58/599236858.db2.gz MLISOCPSZZNJQR-LBPRGKRZSA-N -1 3 388.409 0.410 20 30 GCEDHM COC(=O)C1=C(C(C)=O)[C@H](c2ccc(OC)c(-c3nn[n-]n3)c2)NC(=S)N1 ZINC000736908584 599236861 /nfs/dbraw/zinc/23/68/61/599236861.db2.gz MLISOCPSZZNJQR-LBPRGKRZSA-N -1 3 388.409 0.410 20 30 GCEDHM Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](CC(=O)[O-])C3)CC2)o1 ZINC000818985495 597077614 /nfs/dbraw/zinc/07/76/14/597077614.db2.gz DXNCNHCYYFWJNM-AWEZNQCLSA-N -1 3 375.429 0.690 20 30 GCEDHM N#Cc1cc(S(N)(=O)=O)ccc1NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737709272 599271540 /nfs/dbraw/zinc/27/15/40/599271540.db2.gz JZFXYFPOJWAUJY-UHFFFAOYSA-N -1 3 385.413 0.305 20 30 GCEDHM N#Cc1cc(S(N)(=O)=O)ccc1NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737709272 599271541 /nfs/dbraw/zinc/27/15/41/599271541.db2.gz JZFXYFPOJWAUJY-UHFFFAOYSA-N -1 3 385.413 0.305 20 30 GCEDHM N#Cc1ccc(NCCNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)nc1 ZINC000737718984 599271593 /nfs/dbraw/zinc/27/15/93/599271593.db2.gz OEOFSAJMAAIWKH-UHFFFAOYSA-N -1 3 385.413 0.305 20 30 GCEDHM N#Cc1ccc(NCCNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)nc1 ZINC000737718984 599271595 /nfs/dbraw/zinc/27/15/95/599271595.db2.gz OEOFSAJMAAIWKH-UHFFFAOYSA-N -1 3 385.413 0.305 20 30 GCEDHM C[C@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN2CCC(C#N)CC2)C1=O ZINC000736222431 598234546 /nfs/dbraw/zinc/23/45/46/598234546.db2.gz GPPLIANLJSJMTA-GOSISDBHSA-N -1 3 380.412 0.827 20 30 GCEDHM C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CCC(C#N)CC2)C1=O ZINC000736222431 598234548 /nfs/dbraw/zinc/23/45/48/598234548.db2.gz GPPLIANLJSJMTA-GOSISDBHSA-N -1 3 380.412 0.827 20 30 GCEDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000737001532 598270472 /nfs/dbraw/zinc/27/04/72/598270472.db2.gz AMCHAXOEYHAEPD-UHFFFAOYSA-N -1 3 399.436 0.971 20 30 GCEDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000737001532 598270473 /nfs/dbraw/zinc/27/04/73/598270473.db2.gz AMCHAXOEYHAEPD-UHFFFAOYSA-N -1 3 399.436 0.971 20 30 GCEDHM CCCCNC(=O)NC(=O)CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000736460190 598273244 /nfs/dbraw/zinc/27/32/44/598273244.db2.gz DPCWJPYBGSLPGK-UHFFFAOYSA-N -1 3 375.418 0.434 20 30 GCEDHM CCCCNC(=O)NC(=O)CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000736460190 598273246 /nfs/dbraw/zinc/27/32/46/598273246.db2.gz DPCWJPYBGSLPGK-UHFFFAOYSA-N -1 3 375.418 0.434 20 30 GCEDHM CC(C)NC(=O)NC(=O)[C@@H](C)Sc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000735887573 598273574 /nfs/dbraw/zinc/27/35/74/598273574.db2.gz CUGINFLHYHYKHF-SSDOTTSWSA-N -1 3 375.418 0.430 20 30 GCEDHM CC(C)NC(=O)NC(=O)[C@@H](C)Sc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000735887573 598273575 /nfs/dbraw/zinc/27/35/75/598273575.db2.gz CUGINFLHYHYKHF-SSDOTTSWSA-N -1 3 375.418 0.430 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)C1=O ZINC000735425819 598290162 /nfs/dbraw/zinc/29/01/62/598290162.db2.gz IDRUXKARVJQVHS-UHFFFAOYSA-N -1 3 388.315 0.026 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)C1=O ZINC000735425819 598290164 /nfs/dbraw/zinc/29/01/64/598290164.db2.gz IDRUXKARVJQVHS-UHFFFAOYSA-N -1 3 388.315 0.026 20 30 GCEDHM C#CCNC(=O)C1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000735382373 598327604 /nfs/dbraw/zinc/32/76/04/598327604.db2.gz ZVRIWBFONCLBPR-UHFFFAOYSA-N -1 3 385.403 0.677 20 30 GCEDHM C#CCNC(=O)C1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735382373 598327605 /nfs/dbraw/zinc/32/76/05/598327605.db2.gz ZVRIWBFONCLBPR-UHFFFAOYSA-N -1 3 385.403 0.677 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000735382225 598382637 /nfs/dbraw/zinc/38/26/37/598382637.db2.gz WDTBJONZYFKWCC-INIZCTEOSA-N -1 3 383.431 0.752 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000735382225 598382639 /nfs/dbraw/zinc/38/26/39/598382639.db2.gz WDTBJONZYFKWCC-INIZCTEOSA-N -1 3 383.431 0.752 20 30 GCEDHM N#Cc1ccc(C(=O)NCC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737709870 598402326 /nfs/dbraw/zinc/40/23/26/598402326.db2.gz OCJRZGNCXQMWIL-UHFFFAOYSA-N -1 3 391.395 0.091 20 30 GCEDHM N#Cc1ccc(C(=O)NCC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737709870 598402328 /nfs/dbraw/zinc/40/23/28/598402328.db2.gz OCJRZGNCXQMWIL-UHFFFAOYSA-N -1 3 391.395 0.091 20 30 GCEDHM C#CCN(CCCOc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000735374878 598538572 /nfs/dbraw/zinc/53/85/72/598538572.db2.gz OJCNLRLEIMOLFX-HNNXBMFYSA-N -1 3 375.454 0.758 20 30 GCEDHM COCCS(=O)(=O)CCCSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000737012984 598569233 /nfs/dbraw/zinc/56/92/33/598569233.db2.gz CTHBIKMJVANBKZ-UHFFFAOYSA-N -1 3 383.459 0.259 20 30 GCEDHM COCCS(=O)(=O)CCCSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000737012984 598569235 /nfs/dbraw/zinc/56/92/35/598569235.db2.gz CTHBIKMJVANBKZ-UHFFFAOYSA-N -1 3 383.459 0.259 20 30 GCEDHM C=CCN(CCC(=O)Nc1ccccc1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000735418294 598581625 /nfs/dbraw/zinc/58/16/25/598581625.db2.gz ACNDPHNKBNXUAE-CYBMUJFWSA-N -1 3 390.469 0.870 20 30 GCEDHM C=CCN(CCC(=O)Nc1ccccc1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000735418294 598581626 /nfs/dbraw/zinc/58/16/26/598581626.db2.gz ACNDPHNKBNXUAE-CYBMUJFWSA-N -1 3 390.469 0.870 20 30 GCEDHM N#CC1(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)CCOCC1 ZINC000737675613 598582016 /nfs/dbraw/zinc/58/20/16/598582016.db2.gz QBYCAJPEJWJIMR-UHFFFAOYSA-N -1 3 385.403 0.975 20 30 GCEDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000737022985 598754772 /nfs/dbraw/zinc/75/47/72/598754772.db2.gz HPBJJRJHUIUDAT-AWEZNQCLSA-N -1 3 383.412 0.453 20 30 GCEDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000737022985 598754773 /nfs/dbraw/zinc/75/47/73/598754773.db2.gz HPBJJRJHUIUDAT-AWEZNQCLSA-N -1 3 383.412 0.453 20 30 GCEDHM N#C[C@H]1CN([C@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCN1C1CC1 ZINC000737678582 598758036 /nfs/dbraw/zinc/75/80/36/598758036.db2.gz KKHZWFGSWQWSQP-HOTGVXAUSA-N -1 3 392.423 0.171 20 30 GCEDHM N#C[C@H]1CN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCN1C1CC1 ZINC000737678582 598758038 /nfs/dbraw/zinc/75/80/38/598758038.db2.gz KKHZWFGSWQWSQP-HOTGVXAUSA-N -1 3 392.423 0.171 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CCN1C1CC1 ZINC000737686697 598758358 /nfs/dbraw/zinc/75/83/58/598758358.db2.gz ZJRYJBRDLFUKLA-NSHDSACASA-N -1 3 393.860 0.881 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CCN1C1CC1 ZINC000737686697 598758360 /nfs/dbraw/zinc/75/83/60/598758360.db2.gz ZJRYJBRDLFUKLA-NSHDSACASA-N -1 3 393.860 0.881 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)NCCS(C)(=O)=O ZINC000735418587 598788518 /nfs/dbraw/zinc/78/85/18/598788518.db2.gz HHJAQYBDKLVEAZ-UHFFFAOYSA-N -1 3 380.499 0.774 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)NCCS(C)(=O)=O ZINC000735418587 598788520 /nfs/dbraw/zinc/78/85/20/598788520.db2.gz HHJAQYBDKLVEAZ-UHFFFAOYSA-N -1 3 380.499 0.774 20 30 GCEDHM C#CCNC(=O)CN1CCCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735380598 598811622 /nfs/dbraw/zinc/81/16/22/598811622.db2.gz IGNPGDFKKRNTEU-UHFFFAOYSA-N -1 3 395.467 0.083 20 30 GCEDHM C#CCNC(=O)CN1CCCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735380598 598811623 /nfs/dbraw/zinc/81/16/23/598811623.db2.gz IGNPGDFKKRNTEU-UHFFFAOYSA-N -1 3 395.467 0.083 20 30 GCEDHM N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822842395 599319251 /nfs/dbraw/zinc/31/92/51/599319251.db2.gz GTUMDYPNBDNTGO-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822842395 599319252 /nfs/dbraw/zinc/31/92/52/599319252.db2.gz GTUMDYPNBDNTGO-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CCN1C1CC1 ZINC000822806454 599345477 /nfs/dbraw/zinc/34/54/77/599345477.db2.gz NGLZASDTHGVFEK-GFCCVEGCSA-N -1 3 393.860 0.881 20 30 GCEDHM N#Cc1ccc(C(=O)NCC(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826384098 607370257 /nfs/dbraw/zinc/37/02/57/607370257.db2.gz GWGFXBMWSHRXOG-UHFFFAOYSA-N -1 3 390.359 0.894 20 30 GCEDHM N#Cc1ccc(C(=O)NCC(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826384098 607370258 /nfs/dbraw/zinc/37/02/58/607370258.db2.gz GWGFXBMWSHRXOG-UHFFFAOYSA-N -1 3 390.359 0.894 20 30 GCEDHM C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000735432773 599351032 /nfs/dbraw/zinc/35/10/32/599351032.db2.gz VMQDXEMIFNLUBI-UHFFFAOYSA-N -1 3 388.407 0.458 20 30 GCEDHM C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000735432773 599351037 /nfs/dbraw/zinc/35/10/37/599351037.db2.gz VMQDXEMIFNLUBI-UHFFFAOYSA-N -1 3 388.407 0.458 20 30 GCEDHM N#Cc1ccc(NC(=O)C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822830010 599612192 /nfs/dbraw/zinc/61/21/92/599612192.db2.gz SPJZWDXDCJDRCJ-UHFFFAOYSA-N -1 3 377.364 0.872 20 30 GCEDHM C=CCN(CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000819744193 599638110 /nfs/dbraw/zinc/63/81/10/599638110.db2.gz ZNXPNOCLTYYNLN-HNNXBMFYSA-N -1 3 390.469 0.870 20 30 GCEDHM C=CCN(CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000819744193 599638111 /nfs/dbraw/zinc/63/81/11/599638111.db2.gz ZNXPNOCLTYYNLN-HNNXBMFYSA-N -1 3 390.469 0.870 20 30 GCEDHM CC#CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819766158 599650097 /nfs/dbraw/zinc/65/00/97/599650097.db2.gz VPNJAKBCIMLWGC-UHFFFAOYSA-N -1 3 389.437 0.834 20 30 GCEDHM CC#CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819766158 599650098 /nfs/dbraw/zinc/65/00/98/599650098.db2.gz VPNJAKBCIMLWGC-UHFFFAOYSA-N -1 3 389.437 0.834 20 30 GCEDHM C#CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000823845582 607464338 /nfs/dbraw/zinc/46/43/38/607464338.db2.gz WDBYMGRHFHOLPJ-LBPRGKRZSA-N -1 3 392.441 0.137 20 30 GCEDHM COc1cc(-c2noc(Cn3c(N)nc(C#N)c3-c3nnn[n-]3)n2)ccc1C ZINC000826176913 607539197 /nfs/dbraw/zinc/53/91/97/607539197.db2.gz JPGXUZSRNUPRQY-UHFFFAOYSA-N -1 3 378.356 0.932 20 30 GCEDHM COc1cc(-c2noc(Cn3c(N)nc(C#N)c3-c3nn[n-]n3)n2)ccc1C ZINC000826176913 607539198 /nfs/dbraw/zinc/53/91/98/607539198.db2.gz JPGXUZSRNUPRQY-UHFFFAOYSA-N -1 3 378.356 0.932 20 30 GCEDHM C#CCNC(=O)CN1CCCN(C(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000823850491 607684495 /nfs/dbraw/zinc/68/44/95/607684495.db2.gz PELMQNUFNSLBCX-UHFFFAOYSA-N -1 3 381.440 0.072 20 30 GCEDHM C#CCNC(=O)CN1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000823850491 607684497 /nfs/dbraw/zinc/68/44/97/607684497.db2.gz PELMQNUFNSLBCX-UHFFFAOYSA-N -1 3 381.440 0.072 20 30 GCEDHM N#Cc1ccc(C(=O)NCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)[nH]1 ZINC000826384534 607719724 /nfs/dbraw/zinc/71/97/24/607719724.db2.gz ZBYFBGRFBYGTOC-UHFFFAOYSA-N -1 3 379.384 0.429 20 30 GCEDHM N#Cc1ccc(C(=O)NCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)[nH]1 ZINC000826384534 607719725 /nfs/dbraw/zinc/71/97/25/607719725.db2.gz ZBYFBGRFBYGTOC-UHFFFAOYSA-N -1 3 379.384 0.429 20 30 GCEDHM CN(CC(C)(C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)c1cc(C#N)c[nH]1 ZINC000821593672 606291577 /nfs/dbraw/zinc/29/15/77/606291577.db2.gz DXVBEJDHMDKFSL-UHFFFAOYSA-N -1 3 395.427 0.923 20 30 GCEDHM CN(CC(C)(C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)c1cc(C#N)c[nH]1 ZINC000821593672 606291578 /nfs/dbraw/zinc/29/15/78/606291578.db2.gz DXVBEJDHMDKFSL-UHFFFAOYSA-N -1 3 395.427 0.923 20 30 GCEDHM C#CCNC(=O)C1CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000819702314 606316910 /nfs/dbraw/zinc/31/69/10/606316910.db2.gz YGZINPOLUDDRAL-AWEZNQCLSA-N -1 3 399.480 0.495 20 30 GCEDHM C#CCNC(=O)C1CCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000819702314 606316912 /nfs/dbraw/zinc/31/69/12/606316912.db2.gz YGZINPOLUDDRAL-AWEZNQCLSA-N -1 3 399.480 0.495 20 30 GCEDHM C#CCNC(=O)C1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000819702315 606317177 /nfs/dbraw/zinc/31/71/77/606317177.db2.gz YGZINPOLUDDRAL-CQSZACIVSA-N -1 3 399.480 0.495 20 30 GCEDHM C#CCNC(=O)C1CCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000819702315 606317178 /nfs/dbraw/zinc/31/71/78/606317178.db2.gz YGZINPOLUDDRAL-CQSZACIVSA-N -1 3 399.480 0.495 20 30 GCEDHM CC(C)[C@](C)(CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(C#N)c[nH]1 ZINC000820017541 606321178 /nfs/dbraw/zinc/32/11/78/606321178.db2.gz ZHQFBOZIMRBRHD-SFHVURJKSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)[C@](C)(CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(C#N)c[nH]1 ZINC000820017541 606321181 /nfs/dbraw/zinc/32/11/81/606321181.db2.gz ZHQFBOZIMRBRHD-SFHVURJKSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820021597 606321304 /nfs/dbraw/zinc/32/13/04/606321304.db2.gz XBZNZLTZMADLKV-AWEZNQCLSA-N -1 3 381.400 0.579 20 30 GCEDHM CC(C)[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820021597 606321305 /nfs/dbraw/zinc/32/13/05/606321305.db2.gz XBZNZLTZMADLKV-AWEZNQCLSA-N -1 3 381.400 0.579 20 30 GCEDHM C#CCN1CCN(C(=O)CN(CCOC)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819702235 606375139 /nfs/dbraw/zinc/37/51/39/606375139.db2.gz UWYCDSMOEGOHJA-UHFFFAOYSA-N -1 3 397.483 0.093 20 30 GCEDHM N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)nc1 ZINC000822830144 606395500 /nfs/dbraw/zinc/39/55/00/606395500.db2.gz VRZODSJUKBQJGA-UHFFFAOYSA-N -1 3 395.358 0.439 20 30 GCEDHM N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)nc1 ZINC000822830144 606395501 /nfs/dbraw/zinc/39/55/01/606395501.db2.gz VRZODSJUKBQJGA-UHFFFAOYSA-N -1 3 395.358 0.439 20 30 GCEDHM CCOC(=O)C1=C(C(C)=O)[C@@H](c2ccc(-c3nnn[n-]3)s2)NC(=S)N1 ZINC000821321181 606395923 /nfs/dbraw/zinc/39/59/23/606395923.db2.gz VNXIPKZDNHHNBA-SNVBAGLBSA-N -1 3 378.439 0.853 20 30 GCEDHM CCn1cc(C#N)c(=O)n(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1=O ZINC000821565098 606589185 /nfs/dbraw/zinc/58/91/85/606589185.db2.gz DCLKUIPYHPUWSE-UHFFFAOYSA-N -1 3 389.322 0.731 20 30 GCEDHM CCn1cc(C#N)c(=O)n(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1=O ZINC000821565098 606589188 /nfs/dbraw/zinc/58/91/88/606589188.db2.gz DCLKUIPYHPUWSE-UHFFFAOYSA-N -1 3 389.322 0.731 20 30 GCEDHM C[C@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820316742 606658673 /nfs/dbraw/zinc/65/86/73/606658673.db2.gz XLDGLZFFRAZDQM-NSHDSACASA-N -1 3 379.384 0.793 20 30 GCEDHM C[C@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820316742 606658674 /nfs/dbraw/zinc/65/86/74/606658674.db2.gz XLDGLZFFRAZDQM-NSHDSACASA-N -1 3 379.384 0.793 20 30 GCEDHM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820804708 606820298 /nfs/dbraw/zinc/82/02/98/606820298.db2.gz XUMRVPLYXVUGBJ-LBPRGKRZSA-N -1 3 375.396 0.879 20 30 GCEDHM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820804708 606820300 /nfs/dbraw/zinc/82/03/00/606820300.db2.gz XUMRVPLYXVUGBJ-LBPRGKRZSA-N -1 3 375.396 0.879 20 30 GCEDHM C=CCN(CC=C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819740076 606976826 /nfs/dbraw/zinc/97/68/26/606976826.db2.gz NOTASWYJTQIXJJ-LBPRGKRZSA-N -1 3 376.442 0.734 20 30 GCEDHM C=CCN(CC=C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819740076 606976827 /nfs/dbraw/zinc/97/68/27/606976827.db2.gz NOTASWYJTQIXJJ-LBPRGKRZSA-N -1 3 376.442 0.734 20 30 GCEDHM CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821170812 606998179 /nfs/dbraw/zinc/99/81/79/606998179.db2.gz XBBVCNXCHHRZKZ-NWDGAFQWSA-N -1 3 391.457 0.542 20 30 GCEDHM CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821170812 606998180 /nfs/dbraw/zinc/99/81/80/606998180.db2.gz XBBVCNXCHHRZKZ-NWDGAFQWSA-N -1 3 391.457 0.542 20 30 GCEDHM CC(C)N(CCC#N)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820438072 607018378 /nfs/dbraw/zinc/01/83/78/607018378.db2.gz HUXFHJRMPRMPRQ-GFCCVEGCSA-N -1 3 391.457 0.684 20 30 GCEDHM CC(C)N(CCC#N)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820438072 607018380 /nfs/dbraw/zinc/01/83/80/607018380.db2.gz HUXFHJRMPRMPRQ-GFCCVEGCSA-N -1 3 391.457 0.684 20 30 GCEDHM CCC[C@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821009037 607018752 /nfs/dbraw/zinc/01/87/52/607018752.db2.gz NBCXMTRPIAZAOI-ZYHUDNBSSA-N -1 3 377.430 0.342 20 30 GCEDHM CCC[C@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821009037 607018754 /nfs/dbraw/zinc/01/87/54/607018754.db2.gz NBCXMTRPIAZAOI-ZYHUDNBSSA-N -1 3 377.430 0.342 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1(C#N)CCCC1 ZINC000820438629 607022278 /nfs/dbraw/zinc/02/22/78/607022278.db2.gz TXGMQTFNJYZCDY-NSHDSACASA-N -1 3 389.441 0.486 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(C#N)CCCC1 ZINC000820438629 607022280 /nfs/dbraw/zinc/02/22/80/607022280.db2.gz TXGMQTFNJYZCDY-NSHDSACASA-N -1 3 389.441 0.486 20 30 GCEDHM CC(C)[C@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820438594 607024229 /nfs/dbraw/zinc/02/42/29/607024229.db2.gz SQHCIRJHHHYKLB-GWCFXTLKSA-N -1 3 377.430 0.198 20 30 GCEDHM CC(C)[C@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820438594 607024231 /nfs/dbraw/zinc/02/42/31/607024231.db2.gz SQHCIRJHHHYKLB-GWCFXTLKSA-N -1 3 377.430 0.198 20 30 GCEDHM C=CCCCN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819739601 607039789 /nfs/dbraw/zinc/03/97/89/607039789.db2.gz ANXMDXXTRICFMQ-LBPRGKRZSA-N -1 3 378.458 0.958 20 30 GCEDHM C=CCCCN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819739601 607039791 /nfs/dbraw/zinc/03/97/91/607039791.db2.gz ANXMDXXTRICFMQ-LBPRGKRZSA-N -1 3 378.458 0.958 20 30 GCEDHM C#CCN(CC#CC)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819697982 607047136 /nfs/dbraw/zinc/04/71/36/607047136.db2.gz PLQJZBDFPFXLIF-ZDUSSCGKSA-N -1 3 386.437 0.019 20 30 GCEDHM C#CCN(CC#CC)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819697982 607047138 /nfs/dbraw/zinc/04/71/38/607047138.db2.gz PLQJZBDFPFXLIF-ZDUSSCGKSA-N -1 3 386.437 0.019 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000820438590 607053726 /nfs/dbraw/zinc/05/37/26/607053726.db2.gz SLHURPWBQGUPLZ-VHRBIJSZSA-N -1 3 389.441 0.342 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000820438590 607053730 /nfs/dbraw/zinc/05/37/30/607053730.db2.gz SLHURPWBQGUPLZ-VHRBIJSZSA-N -1 3 389.441 0.342 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C#N)C(C)(C)C ZINC000820438732 607054057 /nfs/dbraw/zinc/05/40/57/607054057.db2.gz VVOGHCWKYZMPHM-MFKMUULPSA-N -1 3 391.457 0.588 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C#N)C(C)(C)C ZINC000820438732 607054058 /nfs/dbraw/zinc/05/40/58/607054058.db2.gz VVOGHCWKYZMPHM-MFKMUULPSA-N -1 3 391.457 0.588 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000820445129 607054336 /nfs/dbraw/zinc/05/43/36/607054336.db2.gz NWPIYZWIJKYMSX-ZKYQVNSYSA-N -1 3 389.441 0.342 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000820445129 607054338 /nfs/dbraw/zinc/05/43/38/607054338.db2.gz NWPIYZWIJKYMSX-ZKYQVNSYSA-N -1 3 389.441 0.342 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@H](C#N)C1CC1 ZINC000820450436 607090679 /nfs/dbraw/zinc/09/06/79/607090679.db2.gz KOBYMNMMWIADIL-TVQRCGJNSA-N -1 3 376.398 0.379 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@H](C#N)C1CC1 ZINC000820450436 607090680 /nfs/dbraw/zinc/09/06/80/607090680.db2.gz KOBYMNMMWIADIL-TVQRCGJNSA-N -1 3 376.398 0.379 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@@H](C#N)C1CC1 ZINC000820450435 607091078 /nfs/dbraw/zinc/09/10/78/607091078.db2.gz KOBYMNMMWIADIL-RNCFNFMXSA-N -1 3 376.398 0.379 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@@H](C#N)C1CC1 ZINC000820450435 607091080 /nfs/dbraw/zinc/09/10/80/607091080.db2.gz KOBYMNMMWIADIL-RNCFNFMXSA-N -1 3 376.398 0.379 20 30 GCEDHM CCN(CCC#N)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821207349 607098903 /nfs/dbraw/zinc/09/89/03/607098903.db2.gz LWEDNJWKPIFBBG-LLVKDONJSA-N -1 3 377.430 0.296 20 30 GCEDHM CCN(CCC#N)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821207349 607098905 /nfs/dbraw/zinc/09/89/05/607098905.db2.gz LWEDNJWKPIFBBG-LLVKDONJSA-N -1 3 377.430 0.296 20 30 GCEDHM C=CCNC(=O)NC(=O)COC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000819751154 607117164 /nfs/dbraw/zinc/11/71/64/607117164.db2.gz SHCQXZXSAAMPQJ-UHFFFAOYSA-N -1 3 388.384 0.579 20 30 GCEDHM C=CCNC(=O)NC(=O)COC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000819751154 607117165 /nfs/dbraw/zinc/11/71/65/607117165.db2.gz SHCQXZXSAAMPQJ-UHFFFAOYSA-N -1 3 388.384 0.579 20 30 GCEDHM C=CCn1nnnc1SCCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823937429 607815005 /nfs/dbraw/zinc/81/50/05/607815005.db2.gz XNERYUHKRCRGIM-UHFFFAOYSA-N -1 3 378.443 0.605 20 30 GCEDHM C=CCn1nnnc1SCCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823937429 607815006 /nfs/dbraw/zinc/81/50/06/607815006.db2.gz XNERYUHKRCRGIM-UHFFFAOYSA-N -1 3 378.443 0.605 20 30 GCEDHM C#CCN(Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000823849966 607924936 /nfs/dbraw/zinc/92/49/36/607924936.db2.gz FGSQGRFTZVZAMJ-ZDUSSCGKSA-N -1 3 389.437 0.276 20 30 GCEDHM C#CCN(Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000823849966 607924937 /nfs/dbraw/zinc/92/49/37/607924937.db2.gz FGSQGRFTZVZAMJ-ZDUSSCGKSA-N -1 3 389.437 0.276 20 30 GCEDHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N(C)CCCc1[nH]nc(N)c1C#N ZINC000826116564 608036408 /nfs/dbraw/zinc/03/64/08/608036408.db2.gz ASPUHJJMLMJLHA-OAHLLOKOSA-N -1 3 395.427 0.822 20 30 GCEDHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N(C)CCCc1[nH]nc(N)c1C#N ZINC000826116564 608036409 /nfs/dbraw/zinc/03/64/09/608036409.db2.gz ASPUHJJMLMJLHA-OAHLLOKOSA-N -1 3 395.427 0.822 20 30 GCEDHM CN(CCC#N)S(=O)(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825914806 608056485 /nfs/dbraw/zinc/05/64/85/608056485.db2.gz ONKBWZGVYREUHH-AWEZNQCLSA-N -1 3 377.430 0.330 20 30 GCEDHM CN(CCC#N)S(=O)(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825914806 608056486 /nfs/dbraw/zinc/05/64/86/608056486.db2.gz ONKBWZGVYREUHH-AWEZNQCLSA-N -1 3 377.430 0.330 20 30 GCEDHM C#CCOCCNC(=O)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000823856391 608145119 /nfs/dbraw/zinc/14/51/19/608145119.db2.gz QMTRHJUJMHRVHE-UHFFFAOYSA-N -1 3 397.420 0.695 20 30 GCEDHM C#CCOCCNC(=O)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000823856391 608145120 /nfs/dbraw/zinc/14/51/20/608145120.db2.gz QMTRHJUJMHRVHE-UHFFFAOYSA-N -1 3 397.420 0.695 20 30 GCEDHM C=CCNC(=O)CN1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000823919768 608221390 /nfs/dbraw/zinc/22/13/90/608221390.db2.gz PUDHAAJSUDVAMH-UHFFFAOYSA-N -1 3 378.440 0.839 20 30 GCEDHM C=CCNC(=O)CN1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000823919768 608221391 /nfs/dbraw/zinc/22/13/91/608221391.db2.gz PUDHAAJSUDVAMH-UHFFFAOYSA-N -1 3 378.440 0.839 20 30 GCEDHM C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823899637 608249618 /nfs/dbraw/zinc/24/96/18/608249618.db2.gz ZXFBOSMMLUNHBO-LLVKDONJSA-N -1 3 376.442 0.711 20 30 GCEDHM C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823899637 608249619 /nfs/dbraw/zinc/24/96/19/608249619.db2.gz ZXFBOSMMLUNHBO-LLVKDONJSA-N -1 3 376.442 0.711 20 30 GCEDHM C#CCN(C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000823845360 608351221 /nfs/dbraw/zinc/35/12/21/608351221.db2.gz PFXQHPPCFPAZNC-CYBMUJFWSA-N -1 3 392.416 0.338 20 30 GCEDHM C#CCN(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000823845360 608351224 /nfs/dbraw/zinc/35/12/24/608351224.db2.gz PFXQHPPCFPAZNC-CYBMUJFWSA-N -1 3 392.416 0.338 20 30 GCEDHM C#CCN(C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000823844968 608351943 /nfs/dbraw/zinc/35/19/43/608351943.db2.gz LVIOLXZMPLFEON-IUODEOHRSA-N -1 3 388.453 0.760 20 30 GCEDHM C#CCN(C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000823844968 608351945 /nfs/dbraw/zinc/35/19/45/608351945.db2.gz LVIOLXZMPLFEON-IUODEOHRSA-N -1 3 388.453 0.760 20 30 GCEDHM CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](C)C#N)cc1-c1nnn[n-]1 ZINC000825523841 608359524 /nfs/dbraw/zinc/35/95/24/608359524.db2.gz VWEYHKDJGLMRLF-SECBINFHSA-N -1 3 386.372 0.649 20 30 GCEDHM CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](C)C#N)cc1-c1nn[n-]n1 ZINC000825523841 608359527 /nfs/dbraw/zinc/35/95/27/608359527.db2.gz VWEYHKDJGLMRLF-SECBINFHSA-N -1 3 386.372 0.649 20 30 GCEDHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C(=O)NC[C@@H](C)C#N)c1C ZINC000826331339 608360140 /nfs/dbraw/zinc/36/01/40/608360140.db2.gz DHESHLGHENHQSH-JTQLQIEISA-N -1 3 393.411 0.884 20 30 GCEDHM CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824185093 608383997 /nfs/dbraw/zinc/38/39/97/608383997.db2.gz QVGJFRTZKLRVAM-GOSISDBHSA-N -1 3 396.499 0.991 20 30 GCEDHM CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824185098 608384196 /nfs/dbraw/zinc/38/41/96/608384196.db2.gz QVGJFRTZKLRVAM-SFHVURJKSA-N -1 3 396.499 0.991 20 30 GCEDHM N#C[C@@H]1CSCCN1CN1CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826380969 608399653 /nfs/dbraw/zinc/39/96/53/608399653.db2.gz SHDRYAXYMXLZOP-CQSZACIVSA-N -1 3 398.452 0.529 20 30 GCEDHM N#C[C@@H]1CSCCN1CN1CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826380969 608399655 /nfs/dbraw/zinc/39/96/55/608399655.db2.gz SHDRYAXYMXLZOP-CQSZACIVSA-N -1 3 398.452 0.529 20 30 GCEDHM C#C[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823837402 608453734 /nfs/dbraw/zinc/45/37/34/608453734.db2.gz CYPPPZDOCUAMAA-QMTHXVAHSA-N -1 3 375.410 0.489 20 30 GCEDHM C#C[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823837402 608453742 /nfs/dbraw/zinc/45/37/42/608453742.db2.gz CYPPPZDOCUAMAA-QMTHXVAHSA-N -1 3 375.410 0.489 20 30 GCEDHM C#C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823837399 608453951 /nfs/dbraw/zinc/45/39/51/608453951.db2.gz CYPPPZDOCUAMAA-IINYFYTJSA-N -1 3 375.410 0.489 20 30 GCEDHM C#C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823837399 608453952 /nfs/dbraw/zinc/45/39/52/608453952.db2.gz CYPPPZDOCUAMAA-IINYFYTJSA-N -1 3 375.410 0.489 20 30 GCEDHM C=CC[C@H](CO)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000823888483 608470264 /nfs/dbraw/zinc/47/02/64/608470264.db2.gz NSCPTQKZLDGNPU-VIFPVBQESA-N -1 3 396.354 0.707 20 30 GCEDHM C=CC[C@H](CO)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000823888483 608470265 /nfs/dbraw/zinc/47/02/65/608470265.db2.gz NSCPTQKZLDGNPU-VIFPVBQESA-N -1 3 396.354 0.707 20 30 GCEDHM C=CC[C@@H](CO)CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823888667 608527133 /nfs/dbraw/zinc/52/71/33/608527133.db2.gz SVTALYRWUACOOU-CYBMUJFWSA-N -1 3 386.460 0.714 20 30 GCEDHM C=CC[C@@H](CO)CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823888667 608527135 /nfs/dbraw/zinc/52/71/35/608527135.db2.gz SVTALYRWUACOOU-CYBMUJFWSA-N -1 3 386.460 0.714 20 30 GCEDHM N#Cc1ccncc1N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826387791 608770462 /nfs/dbraw/zinc/77/04/62/608770462.db2.gz QVJYOBXNCUQHSJ-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM N#Cc1ccncc1N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826387791 608770465 /nfs/dbraw/zinc/77/04/65/608770465.db2.gz QVJYOBXNCUQHSJ-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM C=CCOCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000823925262 609136793 /nfs/dbraw/zinc/13/67/93/609136793.db2.gz GVXIBLYBQZEEBV-UHFFFAOYSA-N -1 3 382.327 0.725 20 30 GCEDHM C=CCOCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000823925262 609136795 /nfs/dbraw/zinc/13/67/95/609136795.db2.gz GVXIBLYBQZEEBV-UHFFFAOYSA-N -1 3 382.327 0.725 20 30 GCEDHM N#Cc1nc(N)n(CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826387840 609175732 /nfs/dbraw/zinc/17/57/32/609175732.db2.gz ULLZYCVQOUYMOP-LBPRGKRZSA-N -1 3 392.427 0.160 20 30 GCEDHM N#Cc1nc(N)n(CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826387840 609175733 /nfs/dbraw/zinc/17/57/33/609175733.db2.gz ULLZYCVQOUYMOP-LBPRGKRZSA-N -1 3 392.427 0.160 20 30 GCEDHM C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823861542 609205741 /nfs/dbraw/zinc/20/57/41/609205741.db2.gz MPWZOWRMHBSLDT-SFHVURJKSA-N -1 3 390.403 0.979 20 30 GCEDHM C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823861542 609205742 /nfs/dbraw/zinc/20/57/42/609205742.db2.gz MPWZOWRMHBSLDT-SFHVURJKSA-N -1 3 390.403 0.979 20 30 GCEDHM N#Cc1cc(C(=O)N[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)c[nH]1 ZINC000826383670 609205873 /nfs/dbraw/zinc/20/58/73/609205873.db2.gz LCSAEJQEBBXZQK-AWEZNQCLSA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1cc(C(=O)N[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)c[nH]1 ZINC000826383670 609205874 /nfs/dbraw/zinc/20/58/74/609205874.db2.gz LCSAEJQEBBXZQK-AWEZNQCLSA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1ccc([C@@H](O)C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000826384804 609209635 /nfs/dbraw/zinc/20/96/35/609209635.db2.gz KIXOUABWLCSJNO-QGZVFWFLSA-N -1 3 390.407 0.516 20 30 GCEDHM N#Cc1ccc([C@@H](O)C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000826384804 609209636 /nfs/dbraw/zinc/20/96/36/609209636.db2.gz KIXOUABWLCSJNO-QGZVFWFLSA-N -1 3 390.407 0.516 20 30 GCEDHM Cn1cc(C=NN[C@@H]2CCS(=O)(=O)C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359362 609303415 /nfs/dbraw/zinc/30/34/15/609303415.db2.gz DUBOTIUEZLOJNI-CQSZACIVSA-N -1 3 386.441 0.378 20 30 GCEDHM Cn1cc(C=NN[C@@H]2CCS(=O)(=O)C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359362 609303417 /nfs/dbraw/zinc/30/34/17/609303417.db2.gz DUBOTIUEZLOJNI-CQSZACIVSA-N -1 3 386.441 0.378 20 30 GCEDHM N#C[C@@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CCO1 ZINC000826380709 609359187 /nfs/dbraw/zinc/35/91/87/609359187.db2.gz KBMSTAVFTPWVJR-SNVBAGLBSA-N -1 3 383.347 0.948 20 30 GCEDHM N#CCCCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826381604 609366377 /nfs/dbraw/zinc/36/63/77/609366377.db2.gz RMVSFSOIWJUPIG-UHFFFAOYSA-N -1 3 397.374 0.940 20 30 GCEDHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC000824238088 609457954 /nfs/dbraw/zinc/45/79/54/609457954.db2.gz ZPJWXYLFDPVVFG-CQSZACIVSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC000824238088 609457955 /nfs/dbraw/zinc/45/79/55/609457955.db2.gz ZPJWXYLFDPVVFG-CQSZACIVSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)[C@@](C)(CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824191883 609460579 /nfs/dbraw/zinc/46/05/79/609460579.db2.gz HRDDNVGLQCNCSV-GOSISDBHSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)[C@@](C)(CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824191883 609460581 /nfs/dbraw/zinc/46/05/81/609460581.db2.gz HRDDNVGLQCNCSV-GOSISDBHSA-N -1 3 395.427 0.969 20 30 GCEDHM N#Cc1ccc([C@H](O)C(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826384634 609630768 /nfs/dbraw/zinc/63/07/68/609630768.db2.gz CTRFHBQREORYSO-KRWDZBQOSA-N -1 3 392.375 0.631 20 30 GCEDHM N#Cc1ccc([C@H](O)C(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826384634 609630769 /nfs/dbraw/zinc/63/07/69/609630769.db2.gz CTRFHBQREORYSO-KRWDZBQOSA-N -1 3 392.375 0.631 20 30 GCEDHM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824706868 609631215 /nfs/dbraw/zinc/63/12/15/609631215.db2.gz KSIFBUYOVYADQS-MIUNTBIASA-N -1 3 386.412 0.886 20 30 GCEDHM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824706868 609631216 /nfs/dbraw/zinc/63/12/16/609631216.db2.gz KSIFBUYOVYADQS-MIUNTBIASA-N -1 3 386.412 0.886 20 30 GCEDHM C#CCSCC[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866853220 638519022 /nfs/dbraw/zinc/51/90/22/638519022.db2.gz SZHPTNKVYWCBTO-UHFFFAOYSA-N -1 3 385.252 0.669 20 30 GCEDHM C#CCOc1cccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c1 ZINC000108289705 638686480 /nfs/dbraw/zinc/68/64/80/638686480.db2.gz NJFUOQRXFVJJOV-UHFFFAOYSA-N -1 3 378.182 0.950 20 30 GCEDHM C#CCNS(=O)(=O)N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000895917048 639034173 /nfs/dbraw/zinc/03/41/73/639034173.db2.gz ALBBJXCXPXSQDF-UHFFFAOYSA-N -1 3 388.287 0.740 20 30 GCEDHM Cn1ncc(S(=O)(=O)[N-]CC2CCN(CC#N)CC2)c1Br ZINC000866960181 639162778 /nfs/dbraw/zinc/16/27/78/639162778.db2.gz LODYVVRBSNAWKU-UHFFFAOYSA-N -1 3 376.280 0.696 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)CS(C)(=O)=O)ccc1F ZINC000732646707 639813230 /nfs/dbraw/zinc/81/32/30/639813230.db2.gz ZLVGHFKIUSDPSY-LLVKDONJSA-N -1 3 392.474 0.795 20 30 GCEDHM COc1cc(C=NN2CC(=O)[N-]C2=O)cc(I)c1O ZINC000744809923 640274047 /nfs/dbraw/zinc/27/40/47/640274047.db2.gz DPOJMTIOWDGQHP-UHFFFAOYSA-N -1 3 375.122 0.891 20 30 GCEDHM C[C@@H](CC(=O)N1CCN(CC#N)CC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760613503 640577118 /nfs/dbraw/zinc/57/71/18/640577118.db2.gz DTRGJTPMQZOCNK-LBPRGKRZSA-N -1 3 385.877 0.460 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)ccc1F ZINC000862991485 641220922 /nfs/dbraw/zinc/22/09/22/641220922.db2.gz SHYBGNWIBGSKFO-ZWNOBZJWSA-N -1 3 390.458 0.595 20 30 GCEDHM C[C@@H](CC(=O)N(CCO)CC(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000794044680 641482456 /nfs/dbraw/zinc/48/24/56/641482456.db2.gz JUSATZWLXGLDCJ-JTQLQIEISA-N -1 3 375.397 0.590 20 30 GCEDHM Cc1nnsc1CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000794954403 641500882 /nfs/dbraw/zinc/50/08/82/641500882.db2.gz VAZLIDJKWJFGPM-VIFPVBQESA-N -1 3 379.467 0.980 20 30 GCEDHM C#CC1(F)CN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000881944030 641672889 /nfs/dbraw/zinc/67/28/89/641672889.db2.gz OIKVECNPLWBBDW-UHFFFAOYSA-N -1 3 381.248 0.973 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)[N-]C[C@](O)(c2ccccc2)C(F)(F)F)CCO1 ZINC000800057444 641766226 /nfs/dbraw/zinc/76/62/26/641766226.db2.gz COLPQDVERYZPRX-STQMWFEESA-N -1 3 379.360 0.495 20 30 GCEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)OC ZINC000814392091 641809386 /nfs/dbraw/zinc/80/93/86/641809386.db2.gz BTCAXTIGZWTJDX-VIFPVBQESA-N -1 3 375.790 0.899 20 30 GCEDHM CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)ccc1Cl ZINC000820471172 641960777 /nfs/dbraw/zinc/96/07/77/641960777.db2.gz OXDDYEZNUUXNCP-LLVKDONJSA-N -1 3 375.834 0.700 20 30 GCEDHM NS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN([O-])C2=O)sc1Br ZINC000820481978 641961459 /nfs/dbraw/zinc/96/14/59/641961459.db2.gz BSZCKYCHPINKGK-YFKPBYRVSA-N -1 3 398.260 0.268 20 30 GCEDHM C[C@@H](CC(=O)N[C@H]1CCCN([O-])C1=O)NS(=O)(=O)c1cccnc1Cl ZINC000848139601 642528824 /nfs/dbraw/zinc/52/88/24/642528824.db2.gz ZMWRKEUHVOTMJO-UWVGGRQHSA-N -1 3 390.849 0.288 20 30 GCEDHM CS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN([O-])C2=O)ccc1Br ZINC000848139263 642528892 /nfs/dbraw/zinc/52/88/92/642528892.db2.gz UAIIUZWNORXSAU-JTQLQIEISA-N -1 3 391.243 0.963 20 30 GCEDHM C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000848964523 642600058 /nfs/dbraw/zinc/60/00/58/642600058.db2.gz ALIIEKWCLHEODM-QMMMGPOBSA-N -1 3 388.393 0.501 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCC#N)CCN1CCOCC1 ZINC000154244472 1184345266 /nfs/dbraw/zinc/34/52/66/1184345266.db2.gz QTNCBWCZNOAHNO-UHFFFAOYSA-N -1 3 385.468 0.871 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCCn1ccc([N+](=O)[O-])n1 ZINC000748107435 1184645352 /nfs/dbraw/zinc/64/53/52/1184645352.db2.gz BPROWSFVXDFUPG-UHFFFAOYSA-N -1 3 379.354 0.073 20 30 GCEDHM CC(C)OCCS(=O)(=O)[N-]CC(=O)OCC(=O)NC1(C#N)CCCCC1 ZINC000748148633 1185068440 /nfs/dbraw/zinc/06/84/40/1185068440.db2.gz HRKDXXUOQZNXTA-UHFFFAOYSA-N -1 3 389.474 0.217 20 30 GCEDHM CCS(=O)(=O)N1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000052052119 1186746766 /nfs/dbraw/zinc/74/67/66/1186746766.db2.gz SDUQDGGEQISJAN-UHFFFAOYSA-N -1 3 380.470 0.290 20 30 GCEDHM CCOC(=O)c1nc(C2CCN(C(=O)C(=O)Nc3cccc(C#N)n3)CC2)n[n-]1 ZINC000583380074 1186838882 /nfs/dbraw/zinc/83/88/82/1186838882.db2.gz HQCHWCNHHNZIHW-UHFFFAOYSA-N -1 3 397.395 0.593 20 30 GCEDHM CCOC(=O)c1nnc(C2CCN(C(=O)C(=O)Nc3cccc(C#N)n3)CC2)[n-]1 ZINC000583380074 1186838886 /nfs/dbraw/zinc/83/88/86/1186838886.db2.gz HQCHWCNHHNZIHW-UHFFFAOYSA-N -1 3 397.395 0.593 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000376214818 1187685503 /nfs/dbraw/zinc/68/55/03/1187685503.db2.gz ZWGSUICDSNPWJS-ZIAGYGMSSA-N -1 3 379.438 0.132 20 30 GCEDHM CNS(=O)(=O)[C@H]1CCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000377650572 1188097814 /nfs/dbraw/zinc/09/78/14/1188097814.db2.gz RZAHOCOVUMCTLJ-ZDUSSCGKSA-N -1 3 380.470 0.749 20 30 GCEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCS(=O)CC1 ZINC000729278825 1193910627 /nfs/dbraw/zinc/91/06/27/1193910627.db2.gz WHPKTUKKZQXDQJ-AWEZNQCLSA-N -1 3 397.522 0.875 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCN2CCOC[C@@H]2C)ccc1F ZINC000729385235 1193916481 /nfs/dbraw/zinc/91/64/81/1193916481.db2.gz CZQDYNRCWVJANB-ZDUSSCGKSA-N -1 3 385.461 0.741 20 30 GCEDHM COC(=O)[C@@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)Cc1ccc([O-])c(F)c1 ZINC000420764809 1194263410 /nfs/dbraw/zinc/26/34/10/1194263410.db2.gz KLODTUHDYDJNAO-WCQYABFASA-N -1 3 387.433 0.789 20 30 GCEDHM C=CCn1cc(C[N-]S(=O)(=O)c2cc3c(cc2OC)NC(=O)CO3)nn1 ZINC000425177522 1194866641 /nfs/dbraw/zinc/86/66/41/1194866641.db2.gz GTLYEOGRBPOBET-UHFFFAOYSA-N -1 3 379.398 0.282 20 30 GCEDHM N#Cc1ccc(CN2CC[C@H](NC(=O)CNC(=O)c3ccc([O-])cc3)C2=O)cc1 ZINC000516945681 1195114323 /nfs/dbraw/zinc/11/43/23/1195114323.db2.gz RNCUWZUTPXFTGW-SFHVURJKSA-N -1 3 392.415 0.911 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCC(N2CCCC2=O)CC1 ZINC000729444822 1195419630 /nfs/dbraw/zinc/41/96/30/1195419630.db2.gz MAYAALKUUWQQEP-UHFFFAOYSA-N -1 3 390.465 0.339 20 30 GCEDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000427159505 1195511842 /nfs/dbraw/zinc/51/18/42/1195511842.db2.gz GJKYLSMIKAWCIX-VIFPVBQESA-N -1 3 377.382 0.373 20 30 GCEDHM CCS(=O)(=O)N1CCN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])CC1 ZINC000331227955 1195722449 /nfs/dbraw/zinc/72/24/49/1195722449.db2.gz FGJDNTKJJNDORI-UHFFFAOYSA-N -1 3 383.470 0.889 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NCc1nc(CNC(=O)[C@]23C[C@H]2COC3)cc(=O)[n-]1 ZINC000984133244 1195977372 /nfs/dbraw/zinc/97/73/72/1195977372.db2.gz FWAHPIGNCARWLU-PRKYJLDLSA-N -1 3 388.424 0.042 20 30 GCEDHM CCOC(=O)c1nc(C2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)n[n-]1 ZINC000444760180 1196518285 /nfs/dbraw/zinc/51/82/85/1196518285.db2.gz RZRXHUSTFOANTB-UHFFFAOYSA-N -1 3 383.412 1.066 20 30 GCEDHM CCOC(=O)c1nnc(C2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)[n-]1 ZINC000444760180 1196518287 /nfs/dbraw/zinc/51/82/87/1196518287.db2.gz RZRXHUSTFOANTB-UHFFFAOYSA-N -1 3 383.412 1.066 20 30 GCEDHM COCCS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428405552 1196574666 /nfs/dbraw/zinc/57/46/66/1196574666.db2.gz USAAEVDAMZBJER-UHFFFAOYSA-N -1 3 395.462 0.852 20 30 GCEDHM C[C@H](C[C@H](O)c1ccco1)NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000760190925 1197206313 /nfs/dbraw/zinc/20/63/13/1197206313.db2.gz GLDCJZVFYHPUQT-YPMHNXCESA-N -1 3 377.422 0.947 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CO)c2cnn(C)c2)ccc1F ZINC000272289257 1197561127 /nfs/dbraw/zinc/56/11/27/1197561127.db2.gz FIIOXQSFQHHZKR-AWEZNQCLSA-N -1 3 382.417 0.487 20 30 GCEDHM C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1=O ZINC000282405979 1199888395 /nfs/dbraw/zinc/88/83/95/1199888395.db2.gz DUPNLLUHQDVYHB-ZDUSSCGKSA-N -1 3 396.860 0.928 20 30 GCEDHM C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1=O ZINC000282405979 1199888401 /nfs/dbraw/zinc/88/84/01/1199888401.db2.gz DUPNLLUHQDVYHB-ZDUSSCGKSA-N -1 3 396.860 0.928 20 30 GCEDHM C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1=O ZINC000282405974 1199888651 /nfs/dbraw/zinc/88/86/51/1199888651.db2.gz DUPNLLUHQDVYHB-CYBMUJFWSA-N -1 3 396.860 0.928 20 30 GCEDHM C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1=O ZINC000282405974 1199888653 /nfs/dbraw/zinc/88/86/53/1199888653.db2.gz DUPNLLUHQDVYHB-CYBMUJFWSA-N -1 3 396.860 0.928 20 30 GCEDHM NC(=O)CC[C@@H]1CCCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000727108820 1201334000 /nfs/dbraw/zinc/33/40/00/1201334000.db2.gz AQJHSQNVOGWLBK-LBPRGKRZSA-N -1 3 378.454 0.229 20 30 GCEDHM CN(C)CCN(Cc1cccc(O)c1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001545677976 1201480608 /nfs/dbraw/zinc/48/06/08/1201480608.db2.gz MZFOZKSBAGCKQM-UHFFFAOYSA-N -1 3 385.424 0.507 20 30 GCEDHM CC(C)C(=O)NCCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742482057 1201798044 /nfs/dbraw/zinc/79/80/44/1201798044.db2.gz FHOOCNFPRYXAKR-GFCCVEGCSA-N -1 3 380.470 0.392 20 30 GCEDHM C[C@H](CC(=O)N(C)CC(=O)N1CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742500099 1201798858 /nfs/dbraw/zinc/79/88/58/1201798858.db2.gz IDTUARWRYPIJDE-CYBMUJFWSA-N -1 3 392.481 0.585 20 30 GCEDHM CC(C)NC(=O)CCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742523645 1201799196 /nfs/dbraw/zinc/79/91/96/1201799196.db2.gz DFQUKEPTXLRTAC-GFCCVEGCSA-N -1 3 380.470 0.535 20 30 GCEDHM CNC(=O)[C@@H]1CCCCN1C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742532469 1201799449 /nfs/dbraw/zinc/79/94/49/1201799449.db2.gz LPDNBQNXVSJWID-OCCSQVGLSA-N -1 3 392.481 0.631 20 30 GCEDHM C[C@H](CC(=O)N[C@@H](C)Cn1cccn1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742535894 1201799731 /nfs/dbraw/zinc/79/97/31/1201799731.db2.gz CNVWAKQBEJHXSB-OLZOCXBDSA-N -1 3 375.454 0.905 20 30 GCEDHM C[C@H](CC(=O)N[C@H](C)CN1CCCC1=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742564696 1201800055 /nfs/dbraw/zinc/80/00/55/1201800055.db2.gz YSZSWNDRSQJXGG-CHWSQXEVSA-N -1 3 392.481 0.631 20 30 GCEDHM C[C@@H](CC(=O)N1CCC(CC(N)=O)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742549005 1201800245 /nfs/dbraw/zinc/80/02/45/1201800245.db2.gz UILIXTSYCJQDOM-LBPRGKRZSA-N -1 3 392.481 0.618 20 30 GCEDHM C[C@H](CC(=O)N(CC(N)=O)C1CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742548985 1201800341 /nfs/dbraw/zinc/80/03/41/1201800341.db2.gz SOBHCSLRTXHVRZ-GFCCVEGCSA-N -1 3 392.481 0.760 20 30 GCEDHM COCCn1cc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cn1 ZINC000742553806 1201800903 /nfs/dbraw/zinc/80/09/03/1201800903.db2.gz KBQOKHUKVVEEHW-GFCCVEGCSA-N -1 3 391.453 0.985 20 30 GCEDHM CC(C)[C@H]1C(=O)NCCN1C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742629378 1201803422 /nfs/dbraw/zinc/80/34/22/1201803422.db2.gz KXNDRGPIVPYRIN-WBMJQRKESA-N -1 3 392.481 0.487 20 30 GCEDHM C[C@@H](CC(=O)NC1CCN(CC#N)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742647777 1201803605 /nfs/dbraw/zinc/80/36/05/1201803605.db2.gz IMQPRNMBARNOLF-ZDUSSCGKSA-N -1 3 389.481 0.608 20 30 GCEDHM C[C@H](CC(=O)NCCC(=O)NC(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742629321 1201803668 /nfs/dbraw/zinc/80/36/68/1201803668.db2.gz AYGNEGFQPWXAMR-GFCCVEGCSA-N -1 3 394.497 0.925 20 30 GCEDHM C[C@@H](CC(=O)NCCC(=O)NC(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742629322 1201803743 /nfs/dbraw/zinc/80/37/43/1201803743.db2.gz AYGNEGFQPWXAMR-LBPRGKRZSA-N -1 3 394.497 0.925 20 30 GCEDHM C[C@H](CC(=O)NCCN1CCOC[C@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742635624 1201804059 /nfs/dbraw/zinc/80/40/59/1201804059.db2.gz ALWGIRBOUXYNRO-ZIAGYGMSSA-N -1 3 394.497 0.341 20 30 GCEDHM C[C@H](CC(=O)N(C)CCN1CCCC1=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742668929 1201804455 /nfs/dbraw/zinc/80/44/55/1201804455.db2.gz DUPPWSYAGBJENS-CYBMUJFWSA-N -1 3 392.481 0.585 20 30 GCEDHM COCCN(CC(=O)OC)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742673434 1201804660 /nfs/dbraw/zinc/80/46/60/1201804660.db2.gz UQLCRBBJQBUDRD-GFCCVEGCSA-N -1 3 397.453 0.152 20 30 GCEDHM COCCOC[C@H](C)NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742707021 1201805196 /nfs/dbraw/zinc/80/51/96/1201805196.db2.gz NJARLLMROTXGRH-STQMWFEESA-N -1 3 383.470 0.671 20 30 GCEDHM COC[C@@H]1CN(C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CCO1 ZINC000742708107 1201805464 /nfs/dbraw/zinc/80/54/64/1201805464.db2.gz ZVMFSSLJPGEISF-OLZOCXBDSA-N -1 3 381.454 0.378 20 30 GCEDHM C[C@H](CC(=O)Nc1nn2cnnc2s1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743299116 1201816022 /nfs/dbraw/zinc/81/60/22/1201816022.db2.gz FHBAFFWALPKLPX-MRVPVSSYSA-N -1 3 391.438 0.642 20 30 GCEDHM C[C@@H](CC(=O)OCCNc1ncccn1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744096129 1201835700 /nfs/dbraw/zinc/83/57/00/1201835700.db2.gz RWGKVDZJIYSPND-LBPRGKRZSA-N -1 3 389.437 0.949 20 30 GCEDHM C[C@H](CC(=O)N1CC(=O)Nc2cnccc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744613017 1201848001 /nfs/dbraw/zinc/84/80/01/1201848001.db2.gz ACXUFJFFMZDAIX-LLVKDONJSA-N -1 3 399.432 0.884 20 30 GCEDHM C[C@H](CC(=O)OCC(=O)NCC1CCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745497894 1201879731 /nfs/dbraw/zinc/87/97/31/1201879731.db2.gz XMMKLMOAWODCER-GFCCVEGCSA-N -1 3 393.465 0.963 20 30 GCEDHM CC(C)CNC(=O)COC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745497211 1201879801 /nfs/dbraw/zinc/87/98/01/1201879801.db2.gz PLSFTZRDEIQOCN-GFCCVEGCSA-N -1 3 381.454 0.819 20 30 GCEDHM C=C[C@@H]1C[C@]1(N[C@H]1CC[C@H](C(=O)OCC)OC1)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001169339213 1201943348 /nfs/dbraw/zinc/94/33/48/1201943348.db2.gz AVWKZDIBQAZXRS-DMVWFOPNSA-N -1 3 386.470 0.240 20 30 GCEDHM Cc1nc(C)c(C(=O)COC(=O)CN=C2[N-]S(=O)(=O)c3ccccc32)o1 ZINC000767253318 1201969340 /nfs/dbraw/zinc/96/93/40/1201969340.db2.gz GHKIBWZWSXXKDD-UHFFFAOYSA-N -1 3 377.378 0.756 20 30 GCEDHM CC(C)C(=O)NCCN(C)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000768024349 1201997914 /nfs/dbraw/zinc/99/79/14/1201997914.db2.gz GKGTUMXBDJSADF-ZDUSSCGKSA-N -1 3 394.497 0.734 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCCNC(=O)C1CCCC1 ZINC000769061574 1202044519 /nfs/dbraw/zinc/04/45/19/1202044519.db2.gz FOHVTEQPQFPKGI-UHFFFAOYSA-N -1 3 379.438 0.575 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)Nc1cnn(-c2ccccc2)n1 ZINC000770451791 1202099332 /nfs/dbraw/zinc/09/93/32/1202099332.db2.gz NWNOZRHNTSSDNR-UHFFFAOYSA-N -1 3 382.405 0.945 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@@H]1CNC(=O)C1 ZINC000770819988 1202114719 /nfs/dbraw/zinc/11/47/19/1202114719.db2.gz SCIHVIAACXMSPI-AAEUAGOBSA-N -1 3 379.438 0.572 20 30 GCEDHM CCOC(=O)C1(CNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000771603888 1202151015 /nfs/dbraw/zinc/15/10/15/1202151015.db2.gz QEKXTEWRXOTODK-LBPRGKRZSA-N -1 3 393.465 0.963 20 30 GCEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCC1 ZINC000746898734 1205462579 /nfs/dbraw/zinc/46/25/79/1205462579.db2.gz QFKQDCYAESSJJS-CQSZACIVSA-N -1 3 393.465 0.915 20 30 GCEDHM C[C@H](CC(=O)N1C[C@H](C)S(=O)[C@@H](C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000791175331 1205474466 /nfs/dbraw/zinc/47/44/66/1205474466.db2.gz SGYVLFAXQHAZRO-AGIUHOORSA-N -1 3 397.522 0.872 20 30 GCEDHM C[C@H](CC(=O)N1CC([C@H]2CCOC2)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000792608563 1205490490 /nfs/dbraw/zinc/49/04/90/1205490490.db2.gz QJBRFRMCPZZQME-OLZOCXBDSA-N -1 3 377.466 0.999 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC(OCCO)CC2)ccc1F ZINC000772831493 1205497755 /nfs/dbraw/zinc/49/77/55/1205497755.db2.gz HRIXZVRIJCBRKL-UHFFFAOYSA-N -1 3 386.445 0.904 20 30 GCEDHM CC(C)[C@](C)(NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C(N)=O ZINC000804426934 1205515570 /nfs/dbraw/zinc/51/55/70/1205515570.db2.gz HQUIGPBFWWZLIH-DIFFPNOSSA-N -1 3 380.470 0.520 20 30 GCEDHM C[C@H](CC(=O)O[C@H](C)c1nncn1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000805480522 1205537678 /nfs/dbraw/zinc/53/76/78/1205537678.db2.gz VGYQNZOUEHDCJA-GHMZBOCLSA-N -1 3 377.426 0.937 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCN(C(N)=O)C2)ccc1F ZINC000808122306 1205599673 /nfs/dbraw/zinc/59/96/73/1205599673.db2.gz PXTJNANDEVUOPD-LLVKDONJSA-N -1 3 384.433 0.420 20 30 GCEDHM C[C@@H](CC(=O)N1CCOCC(F)(F)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000808451992 1205607293 /nfs/dbraw/zinc/60/72/93/1205607293.db2.gz SUPYQKBHGFCWNE-NSHDSACASA-N -1 3 387.408 0.998 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@H]1CCC(=O)NC1 ZINC000809020918 1205617502 /nfs/dbraw/zinc/61/75/02/1205617502.db2.gz PQLNGNLXWOQOLN-JSGCOSHPSA-N -1 3 393.465 0.962 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@@H]1CCC(=O)NC1 ZINC000809020942 1205617610 /nfs/dbraw/zinc/61/76/10/1205617610.db2.gz PQLNGNLXWOQOLN-OCCSQVGLSA-N -1 3 393.465 0.962 20 30 GCEDHM CCOC(=O)C[C@@H](OC(=O)CN=C1[N-]S(=O)(=O)c2ccccc21)C(C)=O ZINC000805340492 1205623175 /nfs/dbraw/zinc/62/31/75/1205623175.db2.gz GCYKLIUHFFTCND-GFCCVEGCSA-N -1 3 382.394 0.179 20 30 GCEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)NCc2ccc(OCC(N)=O)cc2)c1 ZINC000811188604 1205648822 /nfs/dbraw/zinc/64/88/22/1205648822.db2.gz QAOIDJRZUQHWPV-UHFFFAOYSA-N -1 3 383.360 0.601 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000811187333 1205648878 /nfs/dbraw/zinc/64/88/78/1205648878.db2.gz OKMALBDRWMYYDN-UHFFFAOYSA-N -1 3 388.331 0.290 20 30 GCEDHM COC(=O)CCCO[N-]C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000811560836 1205653462 /nfs/dbraw/zinc/65/34/62/1205653462.db2.gz HUXCZIRQOSTWRV-CQSZACIVSA-N -1 3 388.380 0.764 20 30 GCEDHM COCCOCCN(C)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000811552141 1205653507 /nfs/dbraw/zinc/65/35/07/1205653507.db2.gz JVEWTNQDYSWHFP-ZDUSSCGKSA-N -1 3 383.470 0.625 20 30 GCEDHM CNC(=O)[C@H]1Cc2ccccc2N1C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000813316990 1205674978 /nfs/dbraw/zinc/67/49/78/1205674978.db2.gz NCYMPRWIBAGRAI-OAHLLOKOSA-N -1 3 398.444 0.429 20 30 GCEDHM C[C@H](CC(=O)OCC[C@H]1CCNC1=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000813916277 1205681356 /nfs/dbraw/zinc/68/13/56/1205681356.db2.gz PRHNKXIRRXCNQB-VXGBXAGGSA-N -1 3 379.438 0.573 20 30 GCEDHM C=C[C@@H]1C[C@]1(Nc1cnccc1N1CCOCC1)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001170747255 1205691254 /nfs/dbraw/zinc/69/12/54/1205691254.db2.gz OFHPHQHVQBYASQ-FZKQIMNGSA-N -1 3 392.481 0.883 20 30 GCEDHM CNC(=O)NC[C@@H]1COCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC001175291731 1205736684 /nfs/dbraw/zinc/73/66/84/1205736684.db2.gz JUXFDYBQCHSOTJ-CYBMUJFWSA-N -1 3 375.429 0.365 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1nnc2n1CCN(C)C2=O ZINC001176811599 1205754745 /nfs/dbraw/zinc/75/47/45/1205754745.db2.gz UFSRBHNVLABZET-UHFFFAOYSA-N -1 3 397.439 0.244 20 30 GCEDHM CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N([O-])C(=N)c1nonc1N ZINC001177078656 1205761291 /nfs/dbraw/zinc/76/12/91/1205761291.db2.gz MZNJMTXGCIZEJH-QMMMGPOBSA-N -1 3 380.365 0.054 20 30 GCEDHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCC2(CC1)CC(=O)C=CO2 ZINC001179423908 1205810117 /nfs/dbraw/zinc/81/01/17/1205810117.db2.gz XPDUSYGGVXXYFQ-UHFFFAOYSA-N -1 3 398.213 0.576 20 30 GCEDHM CC(=O)C[C@@H]1COCCN1C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000773880753 1205832811 /nfs/dbraw/zinc/83/28/11/1205832811.db2.gz GUJWNPLFKXFFBW-GXTWGEPZSA-N -1 3 393.465 0.710 20 30 GCEDHM COC(=O)CCS(=O)(=O)[N-]c1ncc(C#N)cc1I ZINC001188352613 1205981764 /nfs/dbraw/zinc/98/17/64/1205981764.db2.gz IEGMQHZNQGHFFY-UHFFFAOYSA-N -1 3 395.178 0.863 20 30 GCEDHM N#Cc1cc(-c2nnn[n-]2)c(SCCN2C(=O)NC3(CCCC3)C2=O)nc1N ZINC000737705942 945114648 /nfs/dbraw/zinc/11/46/48/945114648.db2.gz SDGYSVMFQFOBLE-UHFFFAOYSA-N -1 3 399.440 0.672 20 30 GCEDHM N#Cc1cc(-c2nn[n-]n2)c(SCCN2C(=O)NC3(CCCC3)C2=O)nc1N ZINC000737705942 945114659 /nfs/dbraw/zinc/11/46/59/945114659.db2.gz SDGYSVMFQFOBLE-UHFFFAOYSA-N -1 3 399.440 0.672 20 30 GCEDHM C#CC[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000819688665 945269298 /nfs/dbraw/zinc/26/92/98/945269298.db2.gz LTYNPEDDGCLIFY-ABAIWWIYSA-N -1 3 389.437 0.879 20 30 GCEDHM C#CC[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000819688665 945269304 /nfs/dbraw/zinc/26/93/04/945269304.db2.gz LTYNPEDDGCLIFY-ABAIWWIYSA-N -1 3 389.437 0.879 20 30 GCEDHM C[C@]12CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]1CN(c1cncc(C#N)n1)C2 ZINC001571295643 946168506 /nfs/dbraw/zinc/16/85/06/946168506.db2.gz AMNZFWCKIMYZEV-XIKOKIGWSA-N -1 3 390.411 0.455 20 30 GCEDHM C[C@]12CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]1CN(c1cncc(C#N)n1)C2 ZINC001571295643 946168516 /nfs/dbraw/zinc/16/85/16/946168516.db2.gz AMNZFWCKIMYZEV-XIKOKIGWSA-N -1 3 390.411 0.455 20 30 GCEDHM N#Cc1nccc(N2CC[C@@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)CC[C@H]32)n1 ZINC001571295969 946178697 /nfs/dbraw/zinc/17/86/97/946178697.db2.gz KYGQHEZZJYITQG-BXUZGUMPSA-N -1 3 390.411 0.597 20 30 GCEDHM N#Cc1nccc(N2CC[C@@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)CC[C@H]32)n1 ZINC001571295969 946178700 /nfs/dbraw/zinc/17/87/00/946178700.db2.gz KYGQHEZZJYITQG-BXUZGUMPSA-N -1 3 390.411 0.597 20 30 GCEDHM N#Cc1nccnc1N1CC[C@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001571296200 946186433 /nfs/dbraw/zinc/18/64/33/946186433.db2.gz QGXPLJGQTZRUFM-SFHVURJKSA-N -1 3 390.411 0.599 20 30 GCEDHM N#Cc1nccnc1N1CC[C@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571296200 946186440 /nfs/dbraw/zinc/18/64/40/946186440.db2.gz QGXPLJGQTZRUFM-SFHVURJKSA-N -1 3 390.411 0.599 20 30 GCEDHM N#Cc1nccc(N2C[C@@H]3CCCN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)n1 ZINC001571296168 946187137 /nfs/dbraw/zinc/18/71/37/946187137.db2.gz PLYJTTSFRKOUKU-SMDDNHRTSA-N -1 3 390.411 0.597 20 30 GCEDHM N#Cc1nccc(N2C[C@@H]3CCCN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)n1 ZINC001571296168 946187145 /nfs/dbraw/zinc/18/71/45/946187145.db2.gz PLYJTTSFRKOUKU-SMDDNHRTSA-N -1 3 390.411 0.597 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001571301975 946287807 /nfs/dbraw/zinc/28/78/07/946287807.db2.gz KIUSYNGRUVYZKS-BETUJISGSA-N -1 3 391.395 0.524 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001571301975 946287819 /nfs/dbraw/zinc/28/78/19/946287819.db2.gz KIUSYNGRUVYZKS-BETUJISGSA-N -1 3 391.395 0.524 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001571302263 946297847 /nfs/dbraw/zinc/29/78/47/946297847.db2.gz SKIVZFIUOBGIOG-DGFSRKRXSA-N -1 3 391.395 0.570 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001571302263 946297855 /nfs/dbraw/zinc/29/78/55/946297855.db2.gz SKIVZFIUOBGIOG-DGFSRKRXSA-N -1 3 391.395 0.570 20 30 GCEDHM N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c[nH]1 ZINC001571302365 946299664 /nfs/dbraw/zinc/29/96/64/946299664.db2.gz VXILHLDSOGDXIZ-NFAWXSAZSA-N -1 3 391.395 0.570 20 30 GCEDHM N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c[nH]1 ZINC001571302365 946299675 /nfs/dbraw/zinc/29/96/75/946299675.db2.gz VXILHLDSOGDXIZ-NFAWXSAZSA-N -1 3 391.395 0.570 20 30 GCEDHM N#Cc1cc(C(=O)NC[C@@H]2COCCN2Cc2ccccc2-c2nnn[n-]2)c[nH]1 ZINC001571309968 946459212 /nfs/dbraw/zinc/45/92/12/946459212.db2.gz QTUBBCZFRNRUDI-MRXNPFEDSA-N -1 3 392.423 0.697 20 30 GCEDHM N#Cc1cc(C(=O)NC[C@@H]2COCCN2Cc2ccccc2-c2nn[n-]n2)c[nH]1 ZINC001571309968 946459218 /nfs/dbraw/zinc/45/92/18/946459218.db2.gz QTUBBCZFRNRUDI-MRXNPFEDSA-N -1 3 392.423 0.697 20 30 GCEDHM CCc1nc(C#N)cc(NC[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571312953 946508828 /nfs/dbraw/zinc/50/88/28/946508828.db2.gz MMONORLUSCHYRN-LLVKDONJSA-N -1 3 392.427 0.993 20 30 GCEDHM CCc1nc(C#N)cc(NC[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571312953 946508836 /nfs/dbraw/zinc/50/88/36/946508836.db2.gz MMONORLUSCHYRN-LLVKDONJSA-N -1 3 392.427 0.993 20 30 GCEDHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCN(c2nccnc2C#N)C1 ZINC001571313374 946521416 /nfs/dbraw/zinc/52/14/16/946521416.db2.gz QHEOPDNCOVQXDM-RYUDHWBXSA-N -1 3 392.427 0.891 20 30 GCEDHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCN(c2nccnc2C#N)C1 ZINC001571313374 946521423 /nfs/dbraw/zinc/52/14/23/946521423.db2.gz QHEOPDNCOVQXDM-RYUDHWBXSA-N -1 3 392.427 0.891 20 30 GCEDHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCN(c2nccnc2C#N)CC1 ZINC001571314039 946540038 /nfs/dbraw/zinc/54/00/38/946540038.db2.gz ZVOGHMNMOFGWII-NSHDSACASA-N -1 3 392.427 0.891 20 30 GCEDHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCN(c2nccnc2C#N)CC1 ZINC001571314039 946540046 /nfs/dbraw/zinc/54/00/46/946540046.db2.gz ZVOGHMNMOFGWII-NSHDSACASA-N -1 3 392.427 0.891 20 30 GCEDHM CC(C)NC(=O)c1ccccc1NC(=O)Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC000824305328 946649084 /nfs/dbraw/zinc/64/90/84/946649084.db2.gz NOXHKDUPLGEMQF-UHFFFAOYSA-N -1 3 379.384 0.712 20 30 GCEDHM C#CCCCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCNC(=O)CC1 ZINC001573282440 946690676 /nfs/dbraw/zinc/69/06/76/946690676.db2.gz KKAJUPGCHHNJLG-UHFFFAOYSA-N -1 3 391.439 0.865 20 30 GCEDHM C#CCCCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCNC(=O)CC1 ZINC001573282440 946690691 /nfs/dbraw/zinc/69/06/91/946690691.db2.gz KKAJUPGCHHNJLG-UHFFFAOYSA-N -1 3 391.439 0.865 20 30 GCEDHM C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573284575 946750696 /nfs/dbraw/zinc/75/06/96/946750696.db2.gz GMKCNZRGEWQGPL-GOSISDBHSA-N -1 3 385.428 0.082 20 30 GCEDHM C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573284575 946750706 /nfs/dbraw/zinc/75/07/06/946750706.db2.gz GMKCNZRGEWQGPL-GOSISDBHSA-N -1 3 385.428 0.082 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573284903 946759295 /nfs/dbraw/zinc/75/92/95/946759295.db2.gz ALDOXSSSAOIKDX-ZDUSSCGKSA-N -1 3 385.428 0.065 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573284903 946759301 /nfs/dbraw/zinc/75/93/01/946759301.db2.gz ALDOXSSSAOIKDX-ZDUSSCGKSA-N -1 3 385.428 0.065 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)[C@@H]1C ZINC001573285106 946767406 /nfs/dbraw/zinc/76/74/06/946767406.db2.gz CXKOZVOABCIHDS-KMFMINBZSA-N -1 3 380.456 0.443 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)[C@@H]1C ZINC001573285106 946767411 /nfs/dbraw/zinc/76/74/11/946767411.db2.gz CXKOZVOABCIHDS-KMFMINBZSA-N -1 3 380.456 0.443 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573285089 946767808 /nfs/dbraw/zinc/76/78/08/946767808.db2.gz CRZLPOMJJNZUGA-ZFWWWQNUSA-N -1 3 381.444 0.061 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573285089 946767815 /nfs/dbraw/zinc/76/78/15/946767815.db2.gz CRZLPOMJJNZUGA-ZFWWWQNUSA-N -1 3 381.444 0.061 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)[C@@H]1C ZINC001573285722 946787484 /nfs/dbraw/zinc/78/74/84/946787484.db2.gz MEEPNPLTUUUCJW-PVAVHDDUSA-N -1 3 394.483 0.751 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001573286045 946794125 /nfs/dbraw/zinc/79/41/25/946794125.db2.gz SIDKZFIOUZCVPM-FIXIBIHLSA-N -1 3 383.412 0.095 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573286045 946794130 /nfs/dbraw/zinc/79/41/30/946794130.db2.gz SIDKZFIOUZCVPM-FIXIBIHLSA-N -1 3 383.412 0.095 20 30 GCEDHM C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573286413 946805366 /nfs/dbraw/zinc/80/53/66/946805366.db2.gz AYEUZINNODDKNS-XOUADPBQSA-N -1 3 381.440 0.834 20 30 GCEDHM C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573286413 946805374 /nfs/dbraw/zinc/80/53/74/946805374.db2.gz AYEUZINNODDKNS-XOUADPBQSA-N -1 3 381.440 0.834 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001573286598 946811796 /nfs/dbraw/zinc/81/17/96/946811796.db2.gz FWWCZNUUUGHSMQ-SJORKVTESA-N -1 3 381.440 0.871 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001573286598 946811806 /nfs/dbraw/zinc/81/18/06/946811806.db2.gz FWWCZNUUUGHSMQ-SJORKVTESA-N -1 3 381.440 0.871 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001573286596 946811951 /nfs/dbraw/zinc/81/19/51/946811951.db2.gz FWWCZNUUUGHSMQ-IAGOWNOFSA-N -1 3 381.440 0.871 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001573286596 946811959 /nfs/dbraw/zinc/81/19/59/946811959.db2.gz FWWCZNUUUGHSMQ-IAGOWNOFSA-N -1 3 381.440 0.871 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001573286902 946819761 /nfs/dbraw/zinc/81/97/61/946819761.db2.gz CFVAJLMASJXBOF-LBPRGKRZSA-N -1 3 390.407 0.463 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001573286902 946819771 /nfs/dbraw/zinc/81/97/71/946819771.db2.gz CFVAJLMASJXBOF-LBPRGKRZSA-N -1 3 390.407 0.463 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@H](CN(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573286891 946821282 /nfs/dbraw/zinc/82/12/82/946821282.db2.gz JOWULPABMRJQKW-OAHLLOKOSA-N -1 3 383.456 0.976 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573286891 946821292 /nfs/dbraw/zinc/82/12/92/946821292.db2.gz JOWULPABMRJQKW-OAHLLOKOSA-N -1 3 383.456 0.976 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573287031 946826837 /nfs/dbraw/zinc/82/68/37/946826837.db2.gz KRTQUYIUNMASIW-CQSZACIVSA-N -1 3 385.428 0.298 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573287031 946826846 /nfs/dbraw/zinc/82/68/46/946826846.db2.gz KRTQUYIUNMASIW-CQSZACIVSA-N -1 3 385.428 0.298 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@H](CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573287057 946827803 /nfs/dbraw/zinc/82/78/03/946827803.db2.gz LHRYSLLXNCXWDQ-CYBMUJFWSA-N -1 3 385.428 0.155 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@H](CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573287057 946827813 /nfs/dbraw/zinc/82/78/13/946827813.db2.gz LHRYSLLXNCXWDQ-CYBMUJFWSA-N -1 3 385.428 0.155 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nc1 ZINC001573287178 946828492 /nfs/dbraw/zinc/82/84/92/946828492.db2.gz GIVRARUTTIGERJ-BXUZGUMPSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nc1 ZINC001573287178 946828503 /nfs/dbraw/zinc/82/85/03/946828503.db2.gz GIVRARUTTIGERJ-BXUZGUMPSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H](CC)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc1 ZINC001573287125 946828554 /nfs/dbraw/zinc/82/85/54/946828554.db2.gz FURGVZJVOYRCBN-ZDUSSCGKSA-N -1 3 378.396 0.510 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H](CC)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc1 ZINC001573287125 946828561 /nfs/dbraw/zinc/82/85/61/946828561.db2.gz FURGVZJVOYRCBN-ZDUSSCGKSA-N -1 3 378.396 0.510 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nc1 ZINC001573287181 946828679 /nfs/dbraw/zinc/82/86/79/946828679.db2.gz GIVRARUTTIGERJ-FZMZJTMJSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nc1 ZINC001573287181 946828695 /nfs/dbraw/zinc/82/86/95/946828695.db2.gz GIVRARUTTIGERJ-FZMZJTMJSA-N -1 3 390.407 0.604 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573287390 946835852 /nfs/dbraw/zinc/83/58/52/946835852.db2.gz NGJMZKUAKMBNOJ-RYUDHWBXSA-N -1 3 389.847 0.896 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573287390 946835855 /nfs/dbraw/zinc/83/58/55/946835855.db2.gz NGJMZKUAKMBNOJ-RYUDHWBXSA-N -1 3 389.847 0.896 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)[C@@H](C)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc1 ZINC001573287399 946835865 /nfs/dbraw/zinc/83/58/65/946835865.db2.gz BRCPVWPCMHWLCB-NSHDSACASA-N -1 3 378.396 0.462 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)[C@@H](C)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc1 ZINC001573287399 946835870 /nfs/dbraw/zinc/83/58/70/946835870.db2.gz BRCPVWPCMHWLCB-NSHDSACASA-N -1 3 378.396 0.462 20 30 GCEDHM C#Cc1ccc(C(=O)NCC2(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)cn1 ZINC001573287462 946837867 /nfs/dbraw/zinc/83/78/67/946837867.db2.gz HUYYECTXAMHUDV-UHFFFAOYSA-N -1 3 376.380 0.264 20 30 GCEDHM C#Cc1ccc(C(=O)NCC2(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)cn1 ZINC001573287462 946837876 /nfs/dbraw/zinc/83/78/76/946837876.db2.gz HUYYECTXAMHUDV-UHFFFAOYSA-N -1 3 376.380 0.264 20 30 GCEDHM C#CCO[C@H](C)C(=O)NCC1=CCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573287894 946850634 /nfs/dbraw/zinc/85/06/34/946850634.db2.gz PYRAHNIIYUSNHK-CQSZACIVSA-N -1 3 381.440 0.861 20 30 GCEDHM C#CCO[C@H](C)C(=O)NCC1=CCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573287894 946850643 /nfs/dbraw/zinc/85/06/43/946850643.db2.gz PYRAHNIIYUSNHK-CQSZACIVSA-N -1 3 381.440 0.861 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@@](C)(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001573288074 946854736 /nfs/dbraw/zinc/85/47/36/946854736.db2.gz HYOLXBOQWGQIEM-LJQANCHMSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@@](C)(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001573288074 946854748 /nfs/dbraw/zinc/85/47/48/946854748.db2.gz HYOLXBOQWGQIEM-LJQANCHMSA-N -1 3 390.407 0.606 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](C)C1 ZINC001573288281 946864197 /nfs/dbraw/zinc/86/41/97/946864197.db2.gz UCMVBEBVDFFZLC-STQMWFEESA-N -1 3 385.428 0.202 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](C)C1 ZINC001573288281 946864209 /nfs/dbraw/zinc/86/42/09/946864209.db2.gz UCMVBEBVDFFZLC-STQMWFEESA-N -1 3 385.428 0.202 20 30 GCEDHM C#CCn1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)cn1 ZINC001573288478 946868732 /nfs/dbraw/zinc/86/87/32/946868732.db2.gz LKWXAMSCIYJRLY-UHFFFAOYSA-N -1 3 388.369 0.083 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)C[C@@H](O)CN(C)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001573288536 946871222 /nfs/dbraw/zinc/87/12/22/946871222.db2.gz MKOVAIUFSXJPMJ-INIZCTEOSA-N -1 3 392.423 0.207 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)C[C@@H](O)CN(C)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001573288536 946871235 /nfs/dbraw/zinc/87/12/35/946871235.db2.gz MKOVAIUFSXJPMJ-INIZCTEOSA-N -1 3 392.423 0.207 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001573288880 946879841 /nfs/dbraw/zinc/87/98/41/946879841.db2.gz VCVROHHHHCNYMC-AWEZNQCLSA-N -1 3 376.380 0.216 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001573288880 946879856 /nfs/dbraw/zinc/87/98/56/946879856.db2.gz VCVROHHHHCNYMC-AWEZNQCLSA-N -1 3 376.380 0.216 20 30 GCEDHM C#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001573289250 946881758 /nfs/dbraw/zinc/88/17/58/946881758.db2.gz XOZXKDHXYKRFJN-CQSZACIVSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001573289250 946881773 /nfs/dbraw/zinc/88/17/73/946881773.db2.gz XOZXKDHXYKRFJN-CQSZACIVSA-N -1 3 390.407 0.606 20 30 GCEDHM C#CCOCCC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573289649 946889633 /nfs/dbraw/zinc/88/96/33/946889633.db2.gz OVIYLYWJPARIHR-JSGCOSHPSA-N -1 3 385.428 0.249 20 30 GCEDHM C#CCOCCC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573289649 946889648 /nfs/dbraw/zinc/88/96/48/946889648.db2.gz OVIYLYWJPARIHR-JSGCOSHPSA-N -1 3 385.428 0.249 20 30 GCEDHM C#Cc1ccccc1CC(=O)NCCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573290803 946911146 /nfs/dbraw/zinc/91/11/46/946911146.db2.gz QBGQKOFPUHIWCB-UHFFFAOYSA-N -1 3 377.408 0.655 20 30 GCEDHM C#Cc1ccccc1CC(=O)NCCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573290803 946911154 /nfs/dbraw/zinc/91/11/54/946911154.db2.gz QBGQKOFPUHIWCB-UHFFFAOYSA-N -1 3 377.408 0.655 20 30 GCEDHM C#Cc1cncc(C(=O)N2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](C)C2)c1 ZINC001573291002 946914622 /nfs/dbraw/zinc/91/46/22/946914622.db2.gz UZSXILLRBWMJRW-ZBEGNZNMSA-N -1 3 390.407 0.462 20 30 GCEDHM C#Cc1cncc(C(=O)N2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](C)C2)c1 ZINC001573291002 946914625 /nfs/dbraw/zinc/91/46/25/946914625.db2.gz UZSXILLRBWMJRW-ZBEGNZNMSA-N -1 3 390.407 0.462 20 30 GCEDHM C#Cc1cncc(C(=O)N[C@]2(C)CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001573291855 946925089 /nfs/dbraw/zinc/92/50/89/946925089.db2.gz KSQICAHNBLQKEA-LJQANCHMSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1cncc(C(=O)N[C@]2(C)CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001573291855 946925094 /nfs/dbraw/zinc/92/50/94/946925094.db2.gz KSQICAHNBLQKEA-LJQANCHMSA-N -1 3 390.407 0.606 20 30 GCEDHM C=C(C)[C@@H](CC(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)OCC ZINC001573292757 946938002 /nfs/dbraw/zinc/93/80/02/946938002.db2.gz AVEGEQVCYISLED-CQSZACIVSA-N -1 3 375.433 0.754 20 30 GCEDHM C=C(C)[C@@H](CC(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)OCC ZINC001573292757 946938007 /nfs/dbraw/zinc/93/80/07/946938007.db2.gz AVEGEQVCYISLED-CQSZACIVSA-N -1 3 375.433 0.754 20 30 GCEDHM C=C(C)[C@H](CC(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)OCC ZINC001573292756 946938041 /nfs/dbraw/zinc/93/80/41/946938041.db2.gz AVEGEQVCYISLED-AWEZNQCLSA-N -1 3 375.433 0.754 20 30 GCEDHM C=C(C)[C@H](CC(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)OCC ZINC001573292756 946938044 /nfs/dbraw/zinc/93/80/44/946938044.db2.gz AVEGEQVCYISLED-AWEZNQCLSA-N -1 3 375.433 0.754 20 30 GCEDHM C=C(C)C(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573293067 946947740 /nfs/dbraw/zinc/94/77/40/946947740.db2.gz LLUMCMTXVKOGHD-LBPRGKRZSA-N -1 3 375.433 0.346 20 30 GCEDHM C=C(C)C(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573293067 946947745 /nfs/dbraw/zinc/94/77/45/946947745.db2.gz LLUMCMTXVKOGHD-LBPRGKRZSA-N -1 3 375.433 0.346 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC(n2cc(CNCc3ccc(-c4nn[n-]n4)cc3)nn2)C1 ZINC001573561638 946964820 /nfs/dbraw/zinc/96/48/20/946964820.db2.gz LRKZNENIEQXJHA-LBPRGKRZSA-N -1 3 392.427 0.291 20 30 GCEDHM C=C(C)CCC(=O)NC[C@@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573294266 946983641 /nfs/dbraw/zinc/98/36/41/946983641.db2.gz ZZWRYGOYOSXOIP-KRWDZBQOSA-N -1 3 375.408 0.815 20 30 GCEDHM C=C(C)CCC(=O)NC[C@@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573294266 946983651 /nfs/dbraw/zinc/98/36/51/946983651.db2.gz ZZWRYGOYOSXOIP-KRWDZBQOSA-N -1 3 375.408 0.815 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573294336 946985709 /nfs/dbraw/zinc/98/57/09/946985709.db2.gz CHNXDKUVCWZNFI-DZKIICNBSA-N -1 3 399.455 0.897 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573294336 946985718 /nfs/dbraw/zinc/98/57/18/946985718.db2.gz CHNXDKUVCWZNFI-DZKIICNBSA-N -1 3 399.455 0.897 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@H](N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC001573565232 947003917 /nfs/dbraw/zinc/00/39/17/947003917.db2.gz PEZXHJOYRHTQMQ-KBPBESRZSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@H](N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC001573565232 947003931 /nfs/dbraw/zinc/00/39/31/947003931.db2.gz PEZXHJOYRHTQMQ-KBPBESRZSA-N -1 3 381.444 0.144 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001573295826 947029256 /nfs/dbraw/zinc/02/92/56/947029256.db2.gz UUXFLGNCMBQZES-HOCLYGCPSA-N -1 3 387.444 0.476 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001573295826 947029264 /nfs/dbraw/zinc/02/92/64/947029264.db2.gz UUXFLGNCMBQZES-HOCLYGCPSA-N -1 3 387.444 0.476 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC[C@@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001573567929 947059546 /nfs/dbraw/zinc/05/95/46/947059546.db2.gz UYGOCTDWAFZCCS-KZULUSFZSA-N -1 3 382.428 0.809 20 30 GCEDHM C=C(C)C[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573298277 947073142 /nfs/dbraw/zinc/07/31/42/947073142.db2.gz BUGBQWCLCHVQMU-WCQYABFASA-N -1 3 375.433 0.346 20 30 GCEDHM C=C(C)C[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573298277 947073154 /nfs/dbraw/zinc/07/31/54/947073154.db2.gz BUGBQWCLCHVQMU-WCQYABFASA-N -1 3 375.433 0.346 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCOC2(CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001573569602 947074772 /nfs/dbraw/zinc/07/47/72/947074772.db2.gz CDZIFYOICRXLTN-GFCCVEGCSA-N -1 3 385.403 0.579 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCOC2(CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC001573569602 947074787 /nfs/dbraw/zinc/07/47/87/947074787.db2.gz CDZIFYOICRXLTN-GFCCVEGCSA-N -1 3 385.403 0.579 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@@]2(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCC[C@@H]12 ZINC001573570050 947081029 /nfs/dbraw/zinc/08/10/29/947081029.db2.gz IXKSBQOJKQUTGS-UCMVZMLTSA-N -1 3 382.428 0.855 20 30 GCEDHM C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573570052 947081133 /nfs/dbraw/zinc/08/11/33/947081133.db2.gz JATCBVJPBSGFJH-FNFWKMNBSA-N -1 3 382.428 0.713 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccccc1 ZINC001573572002 947107075 /nfs/dbraw/zinc/10/70/75/947107075.db2.gz CTFDXVHDLVQJSI-ABAIWWIYSA-N -1 3 378.396 0.942 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccccc1 ZINC001573572002 947107077 /nfs/dbraw/zinc/10/70/77/947107077.db2.gz CTFDXVHDLVQJSI-ABAIWWIYSA-N -1 3 378.396 0.942 20 30 GCEDHM C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2O)C1 ZINC001573300279 947109102 /nfs/dbraw/zinc/10/91/02/947109102.db2.gz WJIGTICWPJJPPW-GXTWGEPZSA-N -1 3 385.428 0.243 20 30 GCEDHM C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2O)C1 ZINC001573300279 947109113 /nfs/dbraw/zinc/10/91/13/947109113.db2.gz WJIGTICWPJJPPW-GXTWGEPZSA-N -1 3 385.428 0.243 20 30 GCEDHM C[C@H](C#N)C(=O)NC1(C2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CC1 ZINC001573572454 947113381 /nfs/dbraw/zinc/11/33/81/947113381.db2.gz IAHUBQYMNSAUAE-LLVKDONJSA-N -1 3 382.428 0.855 20 30 GCEDHM C[C@H](C#N)C(=O)NC1(C2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CC1 ZINC001573572454 947113390 /nfs/dbraw/zinc/11/33/90/947113390.db2.gz IAHUBQYMNSAUAE-LLVKDONJSA-N -1 3 382.428 0.855 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573572691 947115216 /nfs/dbraw/zinc/11/52/16/947115216.db2.gz JIZFJJNAOJLBQK-ABAIWWIYSA-N -1 3 378.396 0.942 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573573115 947119112 /nfs/dbraw/zinc/11/91/12/947119112.db2.gz MPJJWPABMYUYOE-MEDUHNTESA-N -1 3 375.458 0.531 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573300883 947124664 /nfs/dbraw/zinc/12/46/64/947124664.db2.gz WFRYFCXZOFLFGX-SWLSCSKDSA-N -1 3 386.460 0.897 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573300883 947124675 /nfs/dbraw/zinc/12/46/75/947124675.db2.gz WFRYFCXZOFLFGX-SWLSCSKDSA-N -1 3 386.460 0.897 20 30 GCEDHM C=C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)c1ccccc1 ZINC001573300927 947124791 /nfs/dbraw/zinc/12/47/91/947124791.db2.gz PLZCEEUGVZHGHR-CGTJXYLNSA-N -1 3 391.435 0.897 20 30 GCEDHM C=C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)c1ccccc1 ZINC001573300927 947124800 /nfs/dbraw/zinc/12/48/00/947124800.db2.gz PLZCEEUGVZHGHR-CGTJXYLNSA-N -1 3 391.435 0.897 20 30 GCEDHM C=CC(C)(C)C(=O)N1CCC[C@](CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573301165 947129878 /nfs/dbraw/zinc/12/98/78/947129878.db2.gz SMKXLWUJMNYGCT-SFHVURJKSA-N -1 3 387.444 0.490 20 30 GCEDHM C=CC(C)(C)C(=O)N1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573301165 947129882 /nfs/dbraw/zinc/12/98/82/947129882.db2.gz SMKXLWUJMNYGCT-SFHVURJKSA-N -1 3 387.444 0.490 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccccc1 ZINC001573574455 947130417 /nfs/dbraw/zinc/13/04/17/947130417.db2.gz SAMUVUVMWBAERK-NHYWBVRUSA-N -1 3 378.396 0.942 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccccc1 ZINC001573574455 947130425 /nfs/dbraw/zinc/13/04/25/947130425.db2.gz SAMUVUVMWBAERK-NHYWBVRUSA-N -1 3 378.396 0.942 20 30 GCEDHM C=CC(C)(C)C(=O)N1CC2(C1)CN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)CCO2 ZINC001573301264 947135017 /nfs/dbraw/zinc/13/50/17/947135017.db2.gz WAOCTFWCPGUMDX-UHFFFAOYSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CC(C)(C)C(=O)N1CC2(C1)CN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CCO2 ZINC001573301264 947135022 /nfs/dbraw/zinc/13/50/22/947135022.db2.gz WAOCTFWCPGUMDX-UHFFFAOYSA-N -1 3 385.428 0.460 20 30 GCEDHM C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001573305198 947151929 /nfs/dbraw/zinc/15/19/29/947151929.db2.gz BORCYCMQDPZBMG-ACJLOTCBSA-N -1 3 387.444 0.754 20 30 GCEDHM C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001573305198 947151937 /nfs/dbraw/zinc/15/19/37/947151937.db2.gz BORCYCMQDPZBMG-ACJLOTCBSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573305718 947161128 /nfs/dbraw/zinc/16/11/28/947161128.db2.gz UEVPUQDSNZIBOE-UHFFFAOYSA-N -1 3 375.433 0.348 20 30 GCEDHM C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573305718 947161131 /nfs/dbraw/zinc/16/11/31/947161131.db2.gz UEVPUQDSNZIBOE-UHFFFAOYSA-N -1 3 375.433 0.348 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccccc1 ZINC001573577217 947164213 /nfs/dbraw/zinc/16/42/13/947164213.db2.gz NQTBVUQLWCEYQB-IAQYHMDHSA-N -1 3 378.396 0.942 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccccc1 ZINC001573577217 947164215 /nfs/dbraw/zinc/16/42/15/947164215.db2.gz NQTBVUQLWCEYQB-IAQYHMDHSA-N -1 3 378.396 0.942 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccccc1 ZINC001573577219 947164689 /nfs/dbraw/zinc/16/46/89/947164689.db2.gz NQTBVUQLWCEYQB-XHDPSFHLSA-N -1 3 378.396 0.942 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccccc1 ZINC001573577219 947164693 /nfs/dbraw/zinc/16/46/93/947164693.db2.gz NQTBVUQLWCEYQB-XHDPSFHLSA-N -1 3 378.396 0.942 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H]1CCC2(CN(Cc3ccc(-c4nnn[n-]4)s3)C2)O1 ZINC001573577274 947165944 /nfs/dbraw/zinc/16/59/44/947165944.db2.gz OJIDVRQUOXHUFU-NWDGAFQWSA-N -1 3 387.469 0.937 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@]1(C)CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC001573577617 947169893 /nfs/dbraw/zinc/16/98/93/947169893.db2.gz RQHGCDJEWYJOAF-KZULUSFZSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@]1(C)CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC001573577617 947169898 /nfs/dbraw/zinc/16/98/98/947169898.db2.gz RQHGCDJEWYJOAF-KZULUSFZSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H]1CCC2(CN(Cc3cccc(-c4nn[n-]n4)c3)C2)O1 ZINC001573577884 947176894 /nfs/dbraw/zinc/17/68/94/947176894.db2.gz UUIKXTWSTKZPRY-CZUORRHYSA-N -1 3 381.440 0.876 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@H]1COC2(CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001573578038 947180785 /nfs/dbraw/zinc/18/07/85/947180785.db2.gz XMOBRPZGBQTIQC-WCQYABFASA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001573578038 947180791 /nfs/dbraw/zinc/18/07/91/947180791.db2.gz XMOBRPZGBQTIQC-WCQYABFASA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCC1(F)F ZINC001573581919 947184943 /nfs/dbraw/zinc/18/49/43/947184943.db2.gz AJNDQTHZJUPCBI-ZYHUDNBSSA-N -1 3 376.371 0.999 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCC1(F)F ZINC001573581919 947184949 /nfs/dbraw/zinc/18/49/49/947184949.db2.gz AJNDQTHZJUPCBI-ZYHUDNBSSA-N -1 3 376.371 0.999 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCC1(F)F ZINC001573581918 947185366 /nfs/dbraw/zinc/18/53/66/947185366.db2.gz AJNDQTHZJUPCBI-PWSUYJOCSA-N -1 3 376.371 0.999 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCC1(F)F ZINC001573581918 947185376 /nfs/dbraw/zinc/18/53/76/947185376.db2.gz AJNDQTHZJUPCBI-PWSUYJOCSA-N -1 3 376.371 0.999 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)CCCO1 ZINC001573582813 947195551 /nfs/dbraw/zinc/19/55/51/947195551.db2.gz HFXURNGFSYHPSQ-JQWIXIFHSA-N -1 3 390.835 0.786 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)CCCO1 ZINC001573582813 947195558 /nfs/dbraw/zinc/19/55/58/947195558.db2.gz HFXURNGFSYHPSQ-JQWIXIFHSA-N -1 3 390.835 0.786 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)CCCO1 ZINC001573582811 947196909 /nfs/dbraw/zinc/19/69/09/947196909.db2.gz HFXURNGFSYHPSQ-CMPLNLGQSA-N -1 3 390.835 0.786 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)CCCO1 ZINC001573582811 947196914 /nfs/dbraw/zinc/19/69/14/947196914.db2.gz HFXURNGFSYHPSQ-CMPLNLGQSA-N -1 3 390.835 0.786 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)C ZINC001573309452 947201255 /nfs/dbraw/zinc/20/12/55/947201255.db2.gz JARYPUZRRICCBN-UGSOOPFHSA-N -1 3 389.460 0.783 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)C ZINC001573309452 947201260 /nfs/dbraw/zinc/20/12/60/947201260.db2.gz JARYPUZRRICCBN-UGSOOPFHSA-N -1 3 389.460 0.783 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)C ZINC001573309449 947201597 /nfs/dbraw/zinc/20/15/97/947201597.db2.gz JARYPUZRRICCBN-ACJLOTCBSA-N -1 3 389.460 0.783 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)C ZINC001573309449 947201602 /nfs/dbraw/zinc/20/16/02/947201602.db2.gz JARYPUZRRICCBN-ACJLOTCBSA-N -1 3 389.460 0.783 20 30 GCEDHM C=C[C@](C)(CCOC)C(=O)NC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573309779 947210189 /nfs/dbraw/zinc/21/01/89/947210189.db2.gz OIRLPIBYAWVDJM-APPDUMDISA-N -1 3 375.433 0.658 20 30 GCEDHM C=C[C@](C)(CCOC)C(=O)NC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573309779 947210198 /nfs/dbraw/zinc/21/01/98/947210198.db2.gz OIRLPIBYAWVDJM-APPDUMDISA-N -1 3 375.433 0.658 20 30 GCEDHM C=C[C@](C)(CCOC)C(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573309782 947210490 /nfs/dbraw/zinc/21/04/90/947210490.db2.gz OIRLPIBYAWVDJM-PIGZYNQJSA-N -1 3 375.433 0.658 20 30 GCEDHM C=C[C@](C)(CCOC)C(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573309782 947210497 /nfs/dbraw/zinc/21/04/97/947210497.db2.gz OIRLPIBYAWVDJM-PIGZYNQJSA-N -1 3 375.433 0.658 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CCCO1 ZINC001573584155 947212934 /nfs/dbraw/zinc/21/29/34/947212934.db2.gz QRSWLRBCXZRNQB-OCCSQVGLSA-N -1 3 387.419 0.873 20 30 GCEDHM C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573310038 947216122 /nfs/dbraw/zinc/21/61/22/947216122.db2.gz RNGMVCQWFZEGES-DIFFPNOSSA-N -1 3 375.433 0.658 20 30 GCEDHM C=C[C@@](C)(CCOC)C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573310038 947216141 /nfs/dbraw/zinc/21/61/41/947216141.db2.gz RNGMVCQWFZEGES-DIFFPNOSSA-N -1 3 375.433 0.658 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CC[C@H](CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573310222 947218661 /nfs/dbraw/zinc/21/86/61/947218661.db2.gz VBDYPSKCIKXAJA-KZULUSFZSA-N -1 3 387.444 0.442 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CC[C@H](CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573310222 947218668 /nfs/dbraw/zinc/21/86/68/947218668.db2.gz VBDYPSKCIKXAJA-KZULUSFZSA-N -1 3 387.444 0.442 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CC[C@@H](CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573310224 947219143 /nfs/dbraw/zinc/21/91/43/947219143.db2.gz VBDYPSKCIKXAJA-SGTLLEGYSA-N -1 3 387.444 0.442 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CC[C@@H](CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573310224 947219157 /nfs/dbraw/zinc/21/91/57/947219157.db2.gz VBDYPSKCIKXAJA-SGTLLEGYSA-N -1 3 387.444 0.442 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CC[C@@H](CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573310221 947219308 /nfs/dbraw/zinc/21/93/08/947219308.db2.gz VBDYPSKCIKXAJA-KPZWWZAWSA-N -1 3 387.444 0.442 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CC[C@@H](CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573310221 947219312 /nfs/dbraw/zinc/21/93/12/947219312.db2.gz VBDYPSKCIKXAJA-KPZWWZAWSA-N -1 3 387.444 0.442 20 30 GCEDHM C[C@@H](C#N)C(=O)NCc1cn(C2CN(Cc3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC001573584885 947237828 /nfs/dbraw/zinc/23/78/28/947237828.db2.gz HDYATSVBOKRXIE-LBPRGKRZSA-N -1 3 392.427 0.291 20 30 GCEDHM C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573585141 947246542 /nfs/dbraw/zinc/24/65/42/947246542.db2.gz CQJSKJLZTSOEBB-LBPRGKRZSA-N -1 3 390.473 0.777 20 30 GCEDHM C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573585141 947246549 /nfs/dbraw/zinc/24/65/49/947246549.db2.gz CQJSKJLZTSOEBB-LBPRGKRZSA-N -1 3 390.473 0.777 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573585527 947260434 /nfs/dbraw/zinc/26/04/34/947260434.db2.gz RQXQTWWKNFUPAI-FNFWKMNBSA-N -1 3 382.428 0.713 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CC2 ZINC001573585522 947260949 /nfs/dbraw/zinc/26/09/49/947260949.db2.gz ROHWGIMSLYAXSI-YRILPIOLSA-N -1 3 382.428 0.855 20 30 GCEDHM C[C@@H](C#N)C(=O)NCc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC001573586067 947277737 /nfs/dbraw/zinc/27/77/37/947277737.db2.gz YRGCHVHOVQYRIK-NSHDSACASA-N -1 3 378.396 0.901 20 30 GCEDHM C[C@@H](C#N)C(=O)NCc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC001573586067 947277747 /nfs/dbraw/zinc/27/77/47/947277747.db2.gz YRGCHVHOVQYRIK-NSHDSACASA-N -1 3 378.396 0.901 20 30 GCEDHM C=CCCC(=O)N1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c(-c3nnn[n-]3)c1)O2 ZINC001573330140 947430847 /nfs/dbraw/zinc/43/08/47/947430847.db2.gz UWEFOSOMAKSWET-CYBMUJFWSA-N -1 3 385.428 0.651 20 30 GCEDHM C=CCCC(=O)N1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c(-c3nn[n-]n3)c1)O2 ZINC001573330140 947430860 /nfs/dbraw/zinc/43/08/60/947430860.db2.gz UWEFOSOMAKSWET-CYBMUJFWSA-N -1 3 385.428 0.651 20 30 GCEDHM C=CCCCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573333752 947443308 /nfs/dbraw/zinc/44/33/08/947443308.db2.gz DTYLXWQBTGXORL-LBPRGKRZSA-N -1 3 375.433 0.442 20 30 GCEDHM C=CCCCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573333752 947443313 /nfs/dbraw/zinc/44/33/13/947443313.db2.gz DTYLXWQBTGXORL-LBPRGKRZSA-N -1 3 375.433 0.442 20 30 GCEDHM C=CCCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001573334984 947468932 /nfs/dbraw/zinc/46/89/32/947468932.db2.gz SRNOQPUTHGFUOZ-ZIAGYGMSSA-N -1 3 385.428 0.243 20 30 GCEDHM C=CCCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001573334984 947468940 /nfs/dbraw/zinc/46/89/40/947468940.db2.gz SRNOQPUTHGFUOZ-ZIAGYGMSSA-N -1 3 385.428 0.243 20 30 GCEDHM C=CCCOCC(=O)NC[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573335610 947481964 /nfs/dbraw/zinc/48/19/64/947481964.db2.gz BGXJVCULISPGTJ-OLZOCXBDSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCCOCC(=O)NC[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573335610 947481973 /nfs/dbraw/zinc/48/19/73/947481973.db2.gz BGXJVCULISPGTJ-OLZOCXBDSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N[C@H](C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573335822 947489415 /nfs/dbraw/zinc/48/94/15/947489415.db2.gz FATFKHOOVZUWPA-NEPJUHHUSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N[C@H](C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573335822 947489424 /nfs/dbraw/zinc/48/94/24/947489424.db2.gz FATFKHOOVZUWPA-NEPJUHHUSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CCCOCC(=O)N1C[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2C1 ZINC001573336158 947500314 /nfs/dbraw/zinc/50/03/14/947500314.db2.gz JVMZONACDGAVRM-OKILXGFUSA-N -1 3 387.419 0.888 20 30 GCEDHM C=CCCOCC(=O)N1C[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2C1 ZINC001573336158 947500322 /nfs/dbraw/zinc/50/03/22/947500322.db2.gz JVMZONACDGAVRM-OKILXGFUSA-N -1 3 387.419 0.888 20 30 GCEDHM C=CCCOCC(=O)NCC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573336174 947500498 /nfs/dbraw/zinc/50/04/98/947500498.db2.gz KIEPJVVZFGSUMT-UHFFFAOYSA-N -1 3 387.444 0.756 20 30 GCEDHM C=CCCOCC(=O)NCC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573336174 947500505 /nfs/dbraw/zinc/50/05/05/947500505.db2.gz KIEPJVVZFGSUMT-UHFFFAOYSA-N -1 3 387.444 0.756 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001573336275 947504468 /nfs/dbraw/zinc/50/44/68/947504468.db2.gz MFNSUGWXWNKKJG-XJKCOSOUSA-N -1 3 399.455 0.849 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001573336275 947504477 /nfs/dbraw/zinc/50/44/77/947504477.db2.gz MFNSUGWXWNKKJG-XJKCOSOUSA-N -1 3 399.455 0.849 20 30 GCEDHM C=CCCOCC(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001573337150 947512992 /nfs/dbraw/zinc/51/29/92/947512992.db2.gz VGMDKBLZRJTSQE-UHFFFAOYSA-N -1 3 385.428 0.462 20 30 GCEDHM C=CCCOCC(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573337150 947513001 /nfs/dbraw/zinc/51/30/01/947513001.db2.gz VGMDKBLZRJTSQE-UHFFFAOYSA-N -1 3 385.428 0.462 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573337115 947513982 /nfs/dbraw/zinc/51/39/82/947513982.db2.gz USCMRELFJDRMRV-TZMCWYRMSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573337115 947513989 /nfs/dbraw/zinc/51/39/89/947513989.db2.gz USCMRELFJDRMRV-TZMCWYRMSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCOCC(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573342730 947544477 /nfs/dbraw/zinc/54/44/77/947544477.db2.gz BAVDUWRGEQIESR-OAHLLOKOSA-N -1 3 390.419 0.525 20 30 GCEDHM C=CCOCC(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573342730 947544492 /nfs/dbraw/zinc/54/44/92/947544492.db2.gz BAVDUWRGEQIESR-OAHLLOKOSA-N -1 3 390.419 0.525 20 30 GCEDHM C=CCOCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573343025 947550663 /nfs/dbraw/zinc/55/06/63/947550663.db2.gz ILHNNQPYDIRIHT-CABCVRRESA-N -1 3 385.428 0.603 20 30 GCEDHM C=CCOCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573343025 947550670 /nfs/dbraw/zinc/55/06/70/947550670.db2.gz ILHNNQPYDIRIHT-CABCVRRESA-N -1 3 385.428 0.603 20 30 GCEDHM C=CCOCC(=O)NC[C@H]1CN(Cc2cc(-c3nnn[n-]3)ccc2F)CCO1 ZINC001573342924 947550905 /nfs/dbraw/zinc/55/09/05/947550905.db2.gz HJLWJTLVGVVYPM-HNNXBMFYSA-N -1 3 390.419 0.525 20 30 GCEDHM C=CCOCC(=O)NC[C@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)CCO1 ZINC001573342924 947550917 /nfs/dbraw/zinc/55/09/17/947550917.db2.gz HJLWJTLVGVVYPM-HNNXBMFYSA-N -1 3 390.419 0.525 20 30 GCEDHM C=CCOCC(=O)N1CCCCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573343118 947553322 /nfs/dbraw/zinc/55/33/22/947553322.db2.gz JPWLIYJMQKLDRQ-ZDUSSCGKSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCOCC(=O)N1CCCCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573343118 947553335 /nfs/dbraw/zinc/55/33/35/947553335.db2.gz JPWLIYJMQKLDRQ-ZDUSSCGKSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCOCC(=O)NCCC1=CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573343487 947559007 /nfs/dbraw/zinc/55/90/07/947559007.db2.gz PSXDNYWSIMRJAW-UHFFFAOYSA-N -1 3 385.428 0.676 20 30 GCEDHM C=CCOCC(=O)NCCC1=CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573343487 947559011 /nfs/dbraw/zinc/55/90/11/947559011.db2.gz PSXDNYWSIMRJAW-UHFFFAOYSA-N -1 3 385.428 0.676 20 30 GCEDHM C=CCOCC(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@H]1OC ZINC001573343786 947562949 /nfs/dbraw/zinc/56/29/49/947562949.db2.gz SMDXNVZMXMZSHN-HZPDHXFCSA-N -1 3 390.419 0.524 20 30 GCEDHM C=CCONC(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nnn[n-]1 ZINC001573348278 947581456 /nfs/dbraw/zinc/58/14/56/947581456.db2.gz OJVCHVJAVQGZAD-UHFFFAOYSA-N -1 3 383.416 0.984 20 30 GCEDHM C=CCONC(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nn[n-]n1 ZINC001573348278 947581465 /nfs/dbraw/zinc/58/14/65/947581465.db2.gz OJVCHVJAVQGZAD-UHFFFAOYSA-N -1 3 383.416 0.984 20 30 GCEDHM C=CCn1cc(C(=O)N(C)[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)nn1 ZINC001573348461 947583309 /nfs/dbraw/zinc/58/33/09/947583309.db2.gz QWPJXQKWKDQEQH-GFCCVEGCSA-N -1 3 380.416 0.390 20 30 GCEDHM C=CCn1cc(C(=O)N(C)[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)nn1 ZINC001573348461 947583320 /nfs/dbraw/zinc/58/33/20/947583320.db2.gz QWPJXQKWKDQEQH-GFCCVEGCSA-N -1 3 380.416 0.390 20 30 GCEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001573348566 947585989 /nfs/dbraw/zinc/58/59/89/947585989.db2.gz RXBAHYWXUCSZSI-AWEZNQCLSA-N -1 3 392.427 0.525 20 30 GCEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001573348566 947586000 /nfs/dbraw/zinc/58/60/00/947586000.db2.gz RXBAHYWXUCSZSI-AWEZNQCLSA-N -1 3 392.427 0.525 20 30 GCEDHM C=CCn1cc(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nc3)CC2)nn1 ZINC001573348714 947586897 /nfs/dbraw/zinc/58/68/97/947586897.db2.gz SNPIDUAHOSJHEZ-UHFFFAOYSA-N -1 3 380.416 0.756 20 30 GCEDHM C=CCn1cc(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nc3)CC2)nn1 ZINC001573348714 947586901 /nfs/dbraw/zinc/58/69/01/947586901.db2.gz SNPIDUAHOSJHEZ-UHFFFAOYSA-N -1 3 380.416 0.756 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573350251 947591707 /nfs/dbraw/zinc/59/17/07/947591707.db2.gz AXUGFKAYCRBRPQ-FMKPAKJESA-N -1 3 399.455 0.849 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573350251 947591715 /nfs/dbraw/zinc/59/17/15/947591715.db2.gz AXUGFKAYCRBRPQ-FMKPAKJESA-N -1 3 399.455 0.849 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573350729 947601050 /nfs/dbraw/zinc/60/10/50/947601050.db2.gz JIXXULUYPJTXSQ-NFAWXSAZSA-N -1 3 385.428 0.507 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573350729 947601057 /nfs/dbraw/zinc/60/10/57/947601057.db2.gz JIXXULUYPJTXSQ-NFAWXSAZSA-N -1 3 385.428 0.507 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573350694 947601299 /nfs/dbraw/zinc/60/12/99/947601299.db2.gz IYZQDSIDYPILDR-LZWOXQAQSA-N -1 3 399.455 0.897 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573350694 947601310 /nfs/dbraw/zinc/60/13/10/947601310.db2.gz IYZQDSIDYPILDR-LZWOXQAQSA-N -1 3 399.455 0.897 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573350922 947605302 /nfs/dbraw/zinc/60/53/02/947605302.db2.gz LEWWDIQJHWNOCB-FMKPAKJESA-N -1 3 399.455 0.897 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573350922 947605306 /nfs/dbraw/zinc/60/53/06/947605306.db2.gz LEWWDIQJHWNOCB-FMKPAKJESA-N -1 3 399.455 0.897 20 30 GCEDHM COc1ccc(OC)c([C@@H](C)NC(=O)Cn2cnc(C#N)c2-c2nnn[n-]2)c1 ZINC000826210941 947616259 /nfs/dbraw/zinc/61/62/59/947616259.db2.gz KJHWDWHMEZDBNJ-SNVBAGLBSA-N -1 3 382.384 0.829 20 30 GCEDHM C=CCn1cc(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)[C@@H]2CC)nn1 ZINC001573351603 947617281 /nfs/dbraw/zinc/61/72/81/947617281.db2.gz UBWKBQSKVXEDRC-DZGCQCFKSA-N -1 3 394.443 0.827 20 30 GCEDHM C=CCn1cc(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)[C@@H]2CC)nn1 ZINC001573351603 947617288 /nfs/dbraw/zinc/61/72/88/947617288.db2.gz UBWKBQSKVXEDRC-DZGCQCFKSA-N -1 3 394.443 0.827 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001573352057 947626036 /nfs/dbraw/zinc/62/60/36/947626036.db2.gz YYVYVLAMRHNQFA-DOMZBBRYSA-N -1 3 397.439 0.460 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001573352057 947626048 /nfs/dbraw/zinc/62/60/48/947626048.db2.gz YYVYVLAMRHNQFA-DOMZBBRYSA-N -1 3 397.439 0.460 20 30 GCEDHM CC#CCCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001573358539 947663969 /nfs/dbraw/zinc/66/39/69/947663969.db2.gz LOHJVTHPNOOPAC-SWLSCSKDSA-N -1 3 385.428 0.080 20 30 GCEDHM CC#CCCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001573358539 947663974 /nfs/dbraw/zinc/66/39/74/947663974.db2.gz LOHJVTHPNOOPAC-SWLSCSKDSA-N -1 3 385.428 0.080 20 30 GCEDHM CC#CCCCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1OC ZINC001573358575 947666452 /nfs/dbraw/zinc/66/64/52/947666452.db2.gz MFZXHUULDWTSLV-HUUCEWRRSA-N -1 3 385.428 0.344 20 30 GCEDHM CC#CCCCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1OC ZINC001573358575 947666462 /nfs/dbraw/zinc/66/64/62/947666462.db2.gz MFZXHUULDWTSLV-HUUCEWRRSA-N -1 3 385.428 0.344 20 30 GCEDHM CC#CCCCC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573359220 947680793 /nfs/dbraw/zinc/68/07/93/947680793.db2.gz XKYYHSIBOODAEL-CQSZACIVSA-N -1 3 385.428 0.346 20 30 GCEDHM CC#CCCCC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573359220 947680797 /nfs/dbraw/zinc/68/07/97/947680797.db2.gz XKYYHSIBOODAEL-CQSZACIVSA-N -1 3 385.428 0.346 20 30 GCEDHM CC#CCCCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001573359349 947685538 /nfs/dbraw/zinc/68/55/38/947685538.db2.gz ZPKDSGOYEJOKQB-UKRRQHHQSA-N -1 3 385.428 0.080 20 30 GCEDHM CC#CCCCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001573359349 947685545 /nfs/dbraw/zinc/68/55/45/947685545.db2.gz ZPKDSGOYEJOKQB-UKRRQHHQSA-N -1 3 385.428 0.080 20 30 GCEDHM C[C@H](C(=O)N1CCO[C@@H](c2ccc(-c3nnn[n-]3)cc2)C1)n1cnc(C#N)n1 ZINC001573644164 947869357 /nfs/dbraw/zinc/86/93/57/947869357.db2.gz ZFQREBLXWWBZAL-BXUZGUMPSA-N -1 3 379.384 0.491 20 30 GCEDHM C[C@H](C(=O)N1CCO[C@@H](c2ccc(-c3nn[n-]n3)cc2)C1)n1cnc(C#N)n1 ZINC001573644164 947869364 /nfs/dbraw/zinc/86/93/64/947869364.db2.gz ZFQREBLXWWBZAL-BXUZGUMPSA-N -1 3 379.384 0.491 20 30 GCEDHM N#Cc1ncn(CC(=O)Nc2ccc(N3CCOCC3)cc2)c1-c1nnn[n-]1 ZINC000826387945 948192351 /nfs/dbraw/zinc/19/23/51/948192351.db2.gz ARUOTKAUDRIBSJ-UHFFFAOYSA-N -1 3 379.384 0.410 20 30 GCEDHM N#Cc1ncn(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1-c1nnn[n-]1 ZINC000826388321 948194516 /nfs/dbraw/zinc/19/45/16/948194516.db2.gz RRWJELNTPRIGPP-UHFFFAOYSA-N -1 3 395.774 0.808 20 30 GCEDHM CC(C)(C#N)CS(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573761599 948843154 /nfs/dbraw/zinc/84/31/54/948843154.db2.gz JZPUNYAPGDAFSP-UHFFFAOYSA-N -1 3 376.446 0.263 20 30 GCEDHM CC(C)(C#N)CS(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573761599 948843170 /nfs/dbraw/zinc/84/31/70/948843170.db2.gz JZPUNYAPGDAFSP-UHFFFAOYSA-N -1 3 376.446 0.263 20 30 GCEDHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(Cc2ncc(C#N)cn2)C1=O ZINC001575856611 949252025 /nfs/dbraw/zinc/25/20/25/949252025.db2.gz ILNDVYUWOHTLRV-KRWDZBQOSA-N -1 3 375.352 0.496 20 30 GCEDHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(Cc2ncc(C#N)cn2)C1=O ZINC001575856611 949252048 /nfs/dbraw/zinc/25/20/48/949252048.db2.gz ILNDVYUWOHTLRV-KRWDZBQOSA-N -1 3 375.352 0.496 20 30 GCEDHM CC(C)(C)C(=O)N1CCO[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC001573794742 949324383 /nfs/dbraw/zinc/32/43/83/949324383.db2.gz JGWKLEDAUIHFQL-AWEZNQCLSA-N -1 3 383.412 0.950 20 30 GCEDHM CC(C)(C)C(=O)N1CCO[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC001573794742 949324403 /nfs/dbraw/zinc/32/44/03/949324403.db2.gz JGWKLEDAUIHFQL-AWEZNQCLSA-N -1 3 383.412 0.950 20 30 GCEDHM C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001574471842 949538949 /nfs/dbraw/zinc/53/89/49/949538949.db2.gz NNOIXEIQOCGEPD-LBPRGKRZSA-N -1 3 390.473 0.920 20 30 GCEDHM C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001574471842 949538966 /nfs/dbraw/zinc/53/89/66/949538966.db2.gz NNOIXEIQOCGEPD-LBPRGKRZSA-N -1 3 390.473 0.920 20 30 GCEDHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1CNc1ccnc(C#N)n1 ZINC001576168996 949658412 /nfs/dbraw/zinc/65/84/12/949658412.db2.gz DKNQPZOBGOKUCI-RISCZKNCSA-N -1 3 392.427 0.631 20 30 GCEDHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1CNc1ccnc(C#N)n1 ZINC001576168996 949658418 /nfs/dbraw/zinc/65/84/18/949658418.db2.gz DKNQPZOBGOKUCI-RISCZKNCSA-N -1 3 392.427 0.631 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1c1ccnc(C#N)n1 ZINC001575882141 949756330 /nfs/dbraw/zinc/75/63/30/949756330.db2.gz GYXMAIKFNIIJJH-JQWIXIFHSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1c1ccnc(C#N)n1 ZINC001575882141 949756353 /nfs/dbraw/zinc/75/63/53/949756353.db2.gz GYXMAIKFNIIJJH-JQWIXIFHSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1c1ccc(C#N)nn1 ZINC001575884560 949846288 /nfs/dbraw/zinc/84/62/88/949846288.db2.gz UVASXTBVOXWOKO-GXFFZTMASA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1c1ccc(C#N)nn1 ZINC001575884560 949846316 /nfs/dbraw/zinc/84/63/16/949846316.db2.gz UVASXTBVOXWOKO-GXFFZTMASA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575884938 949855910 /nfs/dbraw/zinc/85/59/10/949855910.db2.gz IZLSRSYLYYUUBA-JOYOIKCWSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575884938 949855933 /nfs/dbraw/zinc/85/59/33/949855933.db2.gz IZLSRSYLYYUUBA-JOYOIKCWSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575885053 949859127 /nfs/dbraw/zinc/85/91/27/949859127.db2.gz KFRAOKAWNXAYHG-BXKDBHETSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575885053 949859150 /nfs/dbraw/zinc/85/91/50/949859150.db2.gz KFRAOKAWNXAYHG-BXKDBHETSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575887268 949897041 /nfs/dbraw/zinc/89/70/41/949897041.db2.gz OBWQZWGBRDHJQN-JOYOIKCWSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575887268 949897059 /nfs/dbraw/zinc/89/70/59/949897059.db2.gz OBWQZWGBRDHJQN-JOYOIKCWSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575887256 949900363 /nfs/dbraw/zinc/90/03/63/949900363.db2.gz OBWQZWGBRDHJQN-BXKDBHETSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575887256 949900384 /nfs/dbraw/zinc/90/03/84/949900384.db2.gz OBWQZWGBRDHJQN-BXKDBHETSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575891289 949994689 /nfs/dbraw/zinc/99/46/89/949994689.db2.gz HMGCGVLJKLUHSP-MWLCHTKSSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575891289 949994698 /nfs/dbraw/zinc/99/46/98/949994698.db2.gz HMGCGVLJKLUHSP-MWLCHTKSSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1c1ccnc(C#N)n1 ZINC001575892091 950049928 /nfs/dbraw/zinc/04/99/28/950049928.db2.gz RKXJEQXYEJCKQG-QWRGUYRKSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1c1ccnc(C#N)n1 ZINC001575892091 950049949 /nfs/dbraw/zinc/04/99/49/950049949.db2.gz RKXJEQXYEJCKQG-QWRGUYRKSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1c1cnc(C#N)cn1 ZINC001575892137 950056403 /nfs/dbraw/zinc/05/64/03/950056403.db2.gz RZSPUEKPFIHGNJ-CMPLNLGQSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1c1cnc(C#N)cn1 ZINC001575892137 950056425 /nfs/dbraw/zinc/05/64/25/950056425.db2.gz RZSPUEKPFIHGNJ-CMPLNLGQSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001576191001 950180080 /nfs/dbraw/zinc/18/00/80/950180080.db2.gz FSRYVIVLGKWLDL-WCQYABFASA-N -1 3 392.427 0.489 20 30 GCEDHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001576191001 950180091 /nfs/dbraw/zinc/18/00/91/950180091.db2.gz FSRYVIVLGKWLDL-WCQYABFASA-N -1 3 392.427 0.489 20 30 GCEDHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n1 ZINC001573881831 950755225 /nfs/dbraw/zinc/75/52/25/950755225.db2.gz IFUIQAKFTCSVHY-GTNSWQLSSA-N -1 3 387.469 0.934 20 30 GCEDHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n1 ZINC001573881831 950755235 /nfs/dbraw/zinc/75/52/35/950755235.db2.gz IFUIQAKFTCSVHY-GTNSWQLSSA-N -1 3 387.469 0.934 20 30 GCEDHM C[C@@](CNc1cncc(C#N)n1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575164894 952300482 /nfs/dbraw/zinc/30/04/82/952300482.db2.gz ISENQUZTJKHQHS-KRWDZBQOSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@@](CNc1cncc(C#N)n1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575164894 952300487 /nfs/dbraw/zinc/30/04/87/952300487.db2.gz ISENQUZTJKHQHS-KRWDZBQOSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1ccc(N2C[C@@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C[C@@H]3C2)nn1 ZINC001571120533 952504614 /nfs/dbraw/zinc/50/46/14/952504614.db2.gz MZTMURHHNPLGCO-TXEJJXNPSA-N -1 3 376.384 0.065 20 30 GCEDHM N#Cc1ccc(N2C[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C[C@@H]3C2)nn1 ZINC001571120533 952504618 /nfs/dbraw/zinc/50/46/18/952504618.db2.gz MZTMURHHNPLGCO-TXEJJXNPSA-N -1 3 376.384 0.065 20 30 GCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1CNc1ccncc1C#N ZINC001571124577 952541213 /nfs/dbraw/zinc/54/12/13/952541213.db2.gz NQUKCBHVEYWVJE-RISCZKNCSA-N -1 3 377.412 0.704 20 30 GCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1CNc1ccncc1C#N ZINC001571124577 952541218 /nfs/dbraw/zinc/54/12/18/952541218.db2.gz NQUKCBHVEYWVJE-RISCZKNCSA-N -1 3 377.412 0.704 20 30 GCEDHM CC1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1Nc1ccncc1C#N ZINC001571125054 952546457 /nfs/dbraw/zinc/54/64/57/952546457.db2.gz YZAJEVOFIYPBGA-OAHLLOKOSA-N -1 3 377.412 0.846 20 30 GCEDHM CC1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1Nc1ccncc1C#N ZINC001571125054 952546458 /nfs/dbraw/zinc/54/64/58/952546458.db2.gz YZAJEVOFIYPBGA-OAHLLOKOSA-N -1 3 377.412 0.846 20 30 GCEDHM COC(=O)c1nccc(NC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001571130898 952583045 /nfs/dbraw/zinc/58/30/45/952583045.db2.gz XXBJNPSZFOMACA-LBPRGKRZSA-N -1 3 378.352 0.764 20 30 GCEDHM N#Cc1nccnc1NC[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571136627 952615051 /nfs/dbraw/zinc/61/50/51/952615051.db2.gz TUTGTEIXNASIJY-WDEREUQCSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1nccnc1NC[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571136627 952615054 /nfs/dbraw/zinc/61/50/54/952615054.db2.gz TUTGTEIXNASIJY-WDEREUQCSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571136849 952617507 /nfs/dbraw/zinc/61/75/07/952617507.db2.gz XZHHMPZCGXUNCR-GHMZBOCLSA-N -1 3 378.400 0.359 20 30 GCEDHM C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571136849 952617509 /nfs/dbraw/zinc/61/75/09/952617509.db2.gz XZHHMPZCGXUNCR-GHMZBOCLSA-N -1 3 378.400 0.359 20 30 GCEDHM N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571139057 952618291 /nfs/dbraw/zinc/61/82/91/952618291.db2.gz BAIBACMDBSLFBN-OTCDBFHCSA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571139057 952618295 /nfs/dbraw/zinc/61/82/95/952618295.db2.gz BAIBACMDBSLFBN-OTCDBFHCSA-N -1 3 379.384 0.333 20 30 GCEDHM C[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001571141251 952631449 /nfs/dbraw/zinc/63/14/49/952631449.db2.gz WXVCYLLFTOVYMC-TVQRCGJNSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001571141251 952631452 /nfs/dbraw/zinc/63/14/52/952631452.db2.gz WXVCYLLFTOVYMC-TVQRCGJNSA-N -1 3 379.384 0.428 20 30 GCEDHM Cc1nsc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C#N)c[nH]2)c1-c1nnn[n-]1 ZINC001571182913 952871124 /nfs/dbraw/zinc/87/11/24/952871124.db2.gz JJROSDNJQQJEBB-QWRGUYRKSA-N -1 3 381.425 0.935 20 30 GCEDHM Cc1nsc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1C#N ZINC001571183017 952871725 /nfs/dbraw/zinc/87/17/25/952871725.db2.gz LZUXUVQVEAHSFF-QWRGUYRKSA-N -1 3 381.425 0.935 20 30 GCEDHM Cc1nsc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1C#N ZINC001571183017 952871728 /nfs/dbraw/zinc/87/17/28/952871728.db2.gz LZUXUVQVEAHSFF-QWRGUYRKSA-N -1 3 381.425 0.935 20 30 GCEDHM C=CCN1CCC(NC(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)CC1 ZINC001573368082 963073353 /nfs/dbraw/zinc/07/33/53/963073353.db2.gz HWNRZNABKIEFSJ-DBQDNQAGSA-N -1 3 399.513 0.747 20 30 GCEDHM C#CCN(C(=O)C(=O)N1CCc2cccc(C(=O)[O-])c2C1)C1CCN(C)CC1 ZINC001588458983 983484033 /nfs/dbraw/zinc/48/40/33/983484033.db2.gz VXORHPLBAJRCQR-UHFFFAOYSA-N -1 3 383.448 0.826 20 30 GCEDHM C=CCN1CCC(NC(=O)C(=O)NCCOc2ccc(C(=O)[O-])cc2)CC1 ZINC001588838694 984340168 /nfs/dbraw/zinc/34/01/68/984340168.db2.gz IGVCMXUUTHXADY-UHFFFAOYSA-N -1 3 375.425 0.646 20 30 GCEDHM C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001588909816 984546039 /nfs/dbraw/zinc/54/60/39/984546039.db2.gz AZBBHLGMEHOWFW-HZSPNIEDSA-N -1 3 377.445 0.583 20 30 GCEDHM C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)cc1 ZINC001589334383 986200941 /nfs/dbraw/zinc/20/09/41/986200941.db2.gz CHWAORABQDHEFG-STQMWFEESA-N -1 3 394.453 0.852 20 30 GCEDHM CN(CCNS(=O)(=O)c1ccc(Br)c(C#N)c1)CC(=O)[O-] ZINC001598494230 992340879 /nfs/dbraw/zinc/34/08/79/992340879.db2.gz PVYNLVIYAPLCEQ-UHFFFAOYSA-N -1 3 376.232 0.615 20 30 GCEDHM CN1CCC(n2c(=O)c(=Cc3ccc(C(=O)[O-])cc3)sc2=C(C#N)C#N)CC1 ZINC001598587933 993411858 /nfs/dbraw/zinc/41/18/58/993411858.db2.gz KAIOGOVYVGXSFJ-UHFFFAOYSA-N -1 3 394.456 0.901 20 30 GCEDHM CSC[C@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N ZINC000583945475 530116773 /nfs/dbraw/zinc/11/67/73/530116773.db2.gz WVYHVBRVYZEVHW-NSHDSACASA-N -1 3 377.513 0.860 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000557836661 530117746 /nfs/dbraw/zinc/11/77/46/530117746.db2.gz TWZWHENUACJVOZ-JTQLQIEISA-N -1 3 399.226 0.245 20 30 GCEDHM COCC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C(N)=O ZINC000557835486 530117810 /nfs/dbraw/zinc/11/78/10/530117810.db2.gz CIUIBAZORDWXIV-SNVBAGLBSA-N -1 3 376.232 0.489 20 30 GCEDHM COC(=O)c1sc(S(=O)(=O)[N-]CCn2cnc(C#N)n2)c(C)c1Cl ZINC000285767606 530124165 /nfs/dbraw/zinc/12/41/65/530124165.db2.gz XQZLPLIHVWJQNZ-UHFFFAOYSA-N -1 3 389.846 0.938 20 30 GCEDHM C[C@H]1C[C@@H](CNS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CCO1 ZINC000584123790 530204477 /nfs/dbraw/zinc/20/44/77/530204477.db2.gz IZILKYXJIUHCMM-STQMWFEESA-N -1 3 387.483 0.582 20 30 GCEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 ZINC000538120022 530171265 /nfs/dbraw/zinc/17/12/65/530171265.db2.gz KZPNWDJYDLFTMY-LBPRGKRZSA-N -1 3 396.556 0.693 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000298442422 530172085 /nfs/dbraw/zinc/17/20/85/530172085.db2.gz ZQVCQKDKQSWGCC-NSHDSACASA-N -1 3 376.431 0.207 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000298442191 530172310 /nfs/dbraw/zinc/17/23/10/530172310.db2.gz ZIWNDWJQVYXEAN-NSHDSACASA-N -1 3 390.458 0.455 20 30 GCEDHM N#CCCCS(=O)(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265314023 530179105 /nfs/dbraw/zinc/17/91/05/530179105.db2.gz QKTVLJFIMMEKRS-UHFFFAOYSA-N -1 3 376.416 0.096 20 30 GCEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000366712511 530228971 /nfs/dbraw/zinc/22/89/71/530228971.db2.gz XQBCCVAHJYGDHU-UHFFFAOYSA-N -1 3 387.458 0.932 20 30 GCEDHM CC(C)C[C@H]([N-]S(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)Nc1nccs1 ZINC000409475667 530229360 /nfs/dbraw/zinc/22/93/60/530229360.db2.gz JGOLTTJYJVXKSO-RYUDHWBXSA-N -1 3 387.487 0.555 20 30 GCEDHM COCCN(CC#N)C(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000569366114 530232703 /nfs/dbraw/zinc/23/27/03/530232703.db2.gz QLDQHRWAUAVTPU-UHFFFAOYSA-N -1 3 379.360 0.982 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)[N-][C@@H](Cc2ccccc2)[C@H](O)C(F)F)CCO1 ZINC000410131200 530235359 /nfs/dbraw/zinc/23/53/59/530235359.db2.gz PZKHBOCLFPNYGA-RDBSUJKOSA-N -1 3 375.397 0.282 20 30 GCEDHM CC[C@](C)(O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C#N ZINC000569470489 530236484 /nfs/dbraw/zinc/23/64/84/530236484.db2.gz CWRCDCVWQWVALV-WFASDCNBSA-N -1 3 389.499 0.658 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H]1CC(C(N)=O)=NO1 ZINC000287538654 530243755 /nfs/dbraw/zinc/24/37/55/530243755.db2.gz WIQZFBYGNHTVHE-SSDOTTSWSA-N -1 3 387.215 0.229 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1cc(C(N)=O)no1 ZINC000561470544 530212986 /nfs/dbraw/zinc/21/29/86/530212986.db2.gz OSKBNHIUXIELES-UHFFFAOYSA-N -1 3 385.199 0.886 20 30 GCEDHM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)O1 ZINC000583452105 530274539 /nfs/dbraw/zinc/27/45/39/530274539.db2.gz SHJOBPYDUWLIED-QWHCGFSZSA-N -1 3 387.483 0.676 20 30 GCEDHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC2CCN(CC#N)CC2)cc1F ZINC000427799974 530285854 /nfs/dbraw/zinc/28/58/54/530285854.db2.gz PNAQXTDNGQVREZ-UHFFFAOYSA-N -1 3 389.474 0.743 20 30 GCEDHM O=C(C[N-]S(=O)(=O)c1cccs1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000329537926 530288856 /nfs/dbraw/zinc/28/88/56/530288856.db2.gz VEAFQTZSYAEXBN-LBPRGKRZSA-N -1 3 387.483 0.763 20 30 GCEDHM COC[C@H](C)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000566807286 530291714 /nfs/dbraw/zinc/29/17/14/530291714.db2.gz LDOBSHBSLIEZLA-LBPRGKRZSA-N -1 3 389.499 0.922 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)CS(=O)(=O)c2cccs2)s1 ZINC000435427733 530255394 /nfs/dbraw/zinc/25/53/94/530255394.db2.gz OJTBQBTVPFKLOB-SECBINFHSA-N -1 3 392.505 0.794 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H]1CC[C@@H](C(N)=O)O1 ZINC000288052273 530258672 /nfs/dbraw/zinc/25/86/72/530258672.db2.gz IQHOTCDNYRGOAB-KCJUWKMLSA-N -1 3 388.243 0.632 20 30 GCEDHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@@H](C#N)C2)cc1F ZINC000271216889 530269314 /nfs/dbraw/zinc/26/93/14/530269314.db2.gz NPOZFGBTMKWVEF-NSHDSACASA-N -1 3 391.446 0.890 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](O)C1CCC1 ZINC000570344274 530318352 /nfs/dbraw/zinc/31/83/52/530318352.db2.gz UTQYUWZATJFJNU-AAEUAGOBSA-N -1 3 387.483 0.316 20 30 GCEDHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCSC[C@H]2C#N)cc1F ZINC000408098382 530394612 /nfs/dbraw/zinc/39/46/12/530394612.db2.gz FOMCFAZFUINEHE-SECBINFHSA-N -1 3 379.460 0.827 20 30 GCEDHM N#C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000289825907 530427918 /nfs/dbraw/zinc/42/79/18/530427918.db2.gz AKQMWOOQOQFHCK-SNVBAGLBSA-N -1 3 377.344 0.735 20 30 GCEDHM N#CCN(C1CC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCOC1 ZINC000594634020 530435827 /nfs/dbraw/zinc/43/58/27/530435827.db2.gz GBVGNJHGVRBRPD-LBPRGKRZSA-N -1 3 385.467 0.430 20 30 GCEDHM CC[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)CO ZINC000594634409 530436152 /nfs/dbraw/zinc/43/61/52/530436152.db2.gz PTJXGFFOIDIVQT-RYUDHWBXSA-N -1 3 375.472 0.268 20 30 GCEDHM CC[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](C)CO ZINC000594634410 530436238 /nfs/dbraw/zinc/43/62/38/530436238.db2.gz PTJXGFFOIDIVQT-VXGBXAGGSA-N -1 3 375.472 0.268 20 30 GCEDHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N ZINC000594634426 530436246 /nfs/dbraw/zinc/43/62/46/530436246.db2.gz QHFOUTNGGXIWIV-CQSZACIVSA-N -1 3 375.472 0.270 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCN1CCCC1 ZINC000594633443 530434834 /nfs/dbraw/zinc/43/48/34/530434834.db2.gz LTTRQJBTWNANHB-UHFFFAOYSA-N -1 3 386.499 0.205 20 30 GCEDHM CSCC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C#N ZINC000594633391 530434854 /nfs/dbraw/zinc/43/48/54/530434854.db2.gz IFVFJAIXUKCWMO-NSHDSACASA-N -1 3 377.513 0.860 20 30 GCEDHM CC[C@@H](O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C(C)(C)C#N ZINC000594633235 530435089 /nfs/dbraw/zinc/43/50/89/530435089.db2.gz AGWRLFHXECPNDR-GFCCVEGCSA-N -1 3 389.499 0.658 20 30 GCEDHM C[C@H](O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C1(C#N)CCC1 ZINC000594633620 530435198 /nfs/dbraw/zinc/43/51/98/530435198.db2.gz YJMJANZZQXWCAG-LBPRGKRZSA-N -1 3 387.483 0.412 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H](C)CO ZINC000594633607 530435479 /nfs/dbraw/zinc/43/54/79/530435479.db2.gz XQIRLFRDPPQCOL-NWDGAFQWSA-N -1 3 375.472 0.126 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@]12C[C@H]1CCC2 ZINC000595968699 530452077 /nfs/dbraw/zinc/45/20/77/530452077.db2.gz IQUGCBULXYQSBB-BPLDGKMQSA-N -1 3 375.516 0.850 20 30 GCEDHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N([C@H](C)C#N)C2CC2)s1 ZINC000598128709 530461980 /nfs/dbraw/zinc/46/19/80/530461980.db2.gz OLVYIJJUNVIDQV-SNVBAGLBSA-N -1 3 384.483 0.566 20 30 GCEDHM N#Cc1ccc(NC(=O)C(=O)NCC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000438436002 530501671 /nfs/dbraw/zinc/50/16/71/530501671.db2.gz FLURQQHBOPBABI-UHFFFAOYSA-N -1 3 378.435 0.653 20 30 GCEDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@H](S(C)(=O)=O)C2)s1 ZINC000330431278 530519895 /nfs/dbraw/zinc/51/98/95/530519895.db2.gz WBWVDMMXXRZVIC-JTQLQIEISA-N -1 3 381.501 0.189 20 30 GCEDHM CC#CC[C@@H](CO)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000645883960 530550934 /nfs/dbraw/zinc/55/09/34/530550934.db2.gz PMKVBNQDUADAMR-NSHDSACASA-N -1 3 378.447 0.640 20 30 GCEDHM CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(CC#N)CC#N)CCC1 ZINC000563429939 530525818 /nfs/dbraw/zinc/52/58/18/530525818.db2.gz PUPRKSAROYSKAR-UHFFFAOYSA-N -1 3 382.467 0.945 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1(O)CCC1 ZINC000563432454 530525980 /nfs/dbraw/zinc/52/59/80/530525980.db2.gz OPJFPYXROODVNW-LBPRGKRZSA-N -1 3 387.483 0.412 20 30 GCEDHM CO[C@H](C)[C@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000563431400 530526028 /nfs/dbraw/zinc/52/60/28/530526028.db2.gz QJKXFXFETVNYFA-NWDGAFQWSA-N -1 3 387.483 0.723 20 30 GCEDHM COC(C)(C)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C#N ZINC000571226708 530528771 /nfs/dbraw/zinc/52/87/71/530528771.db2.gz UMOLJYKEOVZLIX-GFCCVEGCSA-N -1 3 389.499 0.922 20 30 GCEDHM CN(Cc1ccc(C#N)cc1)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000025117204 530529612 /nfs/dbraw/zinc/52/96/12/530529612.db2.gz ABZNKRHPHAUESN-UHFFFAOYSA-N -1 3 377.198 0.829 20 30 GCEDHM Cn1c2cc(Br)c(S(=O)(=O)[N-]C3(C#N)CC3)cc2n(C)c1=O ZINC000160978950 530529801 /nfs/dbraw/zinc/52/98/01/530529801.db2.gz AZFMMCFJOITFFQ-UHFFFAOYSA-N -1 3 385.243 0.974 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCCC[C@@H]1O ZINC000566488187 530530702 /nfs/dbraw/zinc/53/07/02/530530702.db2.gz NSNIGUMCVAAATD-OLZOCXBDSA-N -1 3 387.483 0.318 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@](C)(O)C1CC1 ZINC000566488612 530530910 /nfs/dbraw/zinc/53/09/10/530530910.db2.gz IZCNVVXQDRFNBJ-XHDPSFHLSA-N -1 3 387.483 0.316 20 30 GCEDHM C=CCC[C@H]([N-]S(=O)(=O)N1CCC[C@H](C(=O)OCC)C1)C(=O)OCC ZINC000566719949 530533307 /nfs/dbraw/zinc/53/33/07/530533307.db2.gz HSJRKMXQIADEAT-KBPBESRZSA-N -1 3 376.475 0.994 20 30 GCEDHM CN(CCC#N)S(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000443720259 530537940 /nfs/dbraw/zinc/53/79/40/530537940.db2.gz QGWPIKSDUDZZBV-UHFFFAOYSA-N -1 3 386.908 0.360 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1CCSC1 ZINC000567407813 530542128 /nfs/dbraw/zinc/54/21/28/530542128.db2.gz KLEVYBZHTGWGKH-GFCCVEGCSA-N -1 3 389.524 0.862 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C(=O)NCCF)ccc1F ZINC000282427775 530558828 /nfs/dbraw/zinc/55/88/28/530558828.db2.gz UHYJDDDXWSMRNZ-JTQLQIEISA-N -1 3 375.397 0.494 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)C(=O)NCCF)ccc1F ZINC000282427777 530559098 /nfs/dbraw/zinc/55/90/98/530559098.db2.gz UHYJDDDXWSMRNZ-SNVBAGLBSA-N -1 3 375.397 0.494 20 30 GCEDHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CC#N)CC#N ZINC000568412876 530559368 /nfs/dbraw/zinc/55/93/68/530559368.db2.gz MHIVJCNHSWXDKD-STQMWFEESA-N -1 3 382.467 0.659 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H](O)C1CC1 ZINC000568647315 530562258 /nfs/dbraw/zinc/56/22/58/530562258.db2.gz PRFQUGQFSUVBOF-DGCLKSJQSA-N -1 3 387.483 0.268 20 30 GCEDHM C=C[C@H](CO)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000290133810 530564439 /nfs/dbraw/zinc/56/44/39/530564439.db2.gz HORPDIOUWMPLTR-MRVPVSSYSA-N -1 3 384.273 0.678 20 30 GCEDHM CS(=O)(=O)N1CC[C@@H](C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000274809500 530579085 /nfs/dbraw/zinc/57/90/85/530579085.db2.gz STOOTKDJKGQTLF-NSHDSACASA-N -1 3 377.875 0.771 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCC(C)(C)O ZINC000573386869 530579749 /nfs/dbraw/zinc/57/97/49/530579749.db2.gz ROFUTTWIYDWKHQ-LBPRGKRZSA-N -1 3 389.499 0.562 20 30 GCEDHM CO[C@H](C)[C@@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000583575726 530582079 /nfs/dbraw/zinc/58/20/79/530582079.db2.gz QJKXFXFETVNYFA-VXGBXAGGSA-N -1 3 387.483 0.723 20 30 GCEDHM C[C@@H]1CCC[C@@]1(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000574702814 530593840 /nfs/dbraw/zinc/59/38/40/530593840.db2.gz AYKNMXRJYGCJDK-IUODEOHRSA-N -1 3 387.483 0.318 20 30 GCEDHM C=CCC[C@@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)OCC ZINC000452002646 530595593 /nfs/dbraw/zinc/59/55/93/530595593.db2.gz YAEGUWMOVAUJEK-GFCCVEGCSA-N -1 3 376.456 0.661 20 30 GCEDHM CC#CC[C@H](CO)NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000645491553 530602154 /nfs/dbraw/zinc/60/21/54/530602154.db2.gz HAJGKHJEOYNPEU-GFCCVEGCSA-N -1 3 391.852 0.831 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCC1(O)CCC1 ZINC000576002848 530604400 /nfs/dbraw/zinc/60/44/00/530604400.db2.gz FCLPGDRSHMOJMY-LBPRGKRZSA-N -1 3 387.483 0.460 20 30 GCEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCC1(O)CCC1 ZINC000576359026 530607672 /nfs/dbraw/zinc/60/76/72/530607672.db2.gz CPBIKKDFJXZFSD-UHFFFAOYSA-N -1 3 387.483 0.460 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000573982071 530585352 /nfs/dbraw/zinc/58/53/52/530585352.db2.gz FDRJFXWCTXLVBF-IUODEOHRSA-N -1 3 385.467 0.334 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCc2cnccc21 ZINC000349450131 530635856 /nfs/dbraw/zinc/63/58/56/530635856.db2.gz LMVLONKGNIFWEM-AWEZNQCLSA-N -1 3 386.499 0.632 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCO[C@@H](CF)C1 ZINC000349447717 530635966 /nfs/dbraw/zinc/63/59/66/530635966.db2.gz JGKLANGBQWSYSB-LBPRGKRZSA-N -1 3 391.446 0.238 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](O)C1 ZINC000349447529 530635978 /nfs/dbraw/zinc/63/59/78/530635978.db2.gz BVWGISOQXWZKCH-STQMWFEESA-N -1 3 387.483 0.268 20 30 GCEDHM CN(C1(CO)CC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349451301 530636643 /nfs/dbraw/zinc/63/66/43/530636643.db2.gz MVFCUVRJTMEFJY-UHFFFAOYSA-N -1 3 385.467 0.166 20 30 GCEDHM COC[C@]1(C)CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C1 ZINC000349452834 530636714 /nfs/dbraw/zinc/63/67/14/530636714.db2.gz OHLMPNVQIDELRE-OAHLLOKOSA-N -1 3 387.483 0.536 20 30 GCEDHM C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000349459761 530639183 /nfs/dbraw/zinc/63/91/83/530639183.db2.gz HTCPHLCJNWJCEW-UONOGXRCSA-N -1 3 393.531 0.307 20 30 GCEDHM CC1=CCCN(S(=O)(=O)CCCS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)C1 ZINC000349465003 530641649 /nfs/dbraw/zinc/64/16/49/530641649.db2.gz XMYPUBKXUSYYII-OAHLLOKOSA-N -1 3 375.516 0.970 20 30 GCEDHM CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CO[C@@H](C)C1 ZINC000577124630 530616518 /nfs/dbraw/zinc/61/65/18/530616518.db2.gz GTTHYFOFGSZNPK-QWHCGFSZSA-N -1 3 387.483 0.676 20 30 GCEDHM CC#CC[C@@H](CO)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000645494399 530618858 /nfs/dbraw/zinc/61/88/58/530618858.db2.gz HQGNPBIVRIOIQH-LBPRGKRZSA-N -1 3 391.852 0.831 20 30 GCEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)C1 ZINC000349539683 530681500 /nfs/dbraw/zinc/68/15/00/530681500.db2.gz QZDURURKDYMCQS-YJNKXOJESA-N -1 3 393.531 0.211 20 30 GCEDHM COC1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-][C@@H](C#N)C(C)C)C1 ZINC000349478476 530648445 /nfs/dbraw/zinc/64/84/45/530648445.db2.gz GVXQCSQCRAPLEM-ZDUSSCGKSA-N -1 3 387.483 0.532 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H]1CF ZINC000349481448 530650248 /nfs/dbraw/zinc/65/02/48/530650248.db2.gz MVESPNKRKSTRIZ-RYUDHWBXSA-N -1 3 375.447 1.000 20 30 GCEDHM CO[C@H](C)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349484749 530651512 /nfs/dbraw/zinc/65/15/12/530651512.db2.gz YYRIFVLRSQRHBS-GFCCVEGCSA-N -1 3 387.483 0.676 20 30 GCEDHM C[C@@H](O)C[C@H]1CCCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349485237 530651570 /nfs/dbraw/zinc/65/15/70/530651570.db2.gz ZYPWYQBZMWVYEM-CHWSQXEVSA-N -1 3 387.483 0.412 20 30 GCEDHM CN(CC(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccnnc1 ZINC000349507494 530664331 /nfs/dbraw/zinc/66/43/31/530664331.db2.gz YHKQEQGMBIURSE-UHFFFAOYSA-N -1 3 375.476 0.420 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H](C)C1 ZINC000349509625 530665630 /nfs/dbraw/zinc/66/56/30/530665630.db2.gz YAGAIVRPRGNGHO-KGLIPLIRSA-N -1 3 397.588 0.859 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H](O)CC1 ZINC000349526184 530672837 /nfs/dbraw/zinc/67/28/37/530672837.db2.gz PJEWUKSPNUGSTO-KBPBESRZSA-N -1 3 381.520 0.021 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H](O)CC1 ZINC000349526186 530673055 /nfs/dbraw/zinc/67/30/55/530673055.db2.gz PJEWUKSPNUGSTO-KGLIPLIRSA-N -1 3 381.520 0.021 20 30 GCEDHM CN([C@H]1CCSC1)S(=O)(=O)CCCS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000349531811 530675584 /nfs/dbraw/zinc/67/55/84/530675584.db2.gz NBFSLKGUDCFYMW-GXTWGEPZSA-N -1 3 395.572 0.755 20 30 GCEDHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N(C)C2(C#N)CCC2)s1 ZINC000468124529 530678552 /nfs/dbraw/zinc/67/85/52/530678552.db2.gz BESQYBVXDORQOS-UHFFFAOYSA-N -1 3 384.483 0.567 20 30 GCEDHM C[C@@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccc2c(n1)CCC2 ZINC000349611619 530720399 /nfs/dbraw/zinc/72/03/99/530720399.db2.gz HJSLLQGIVGKJLP-LBPRGKRZSA-N -1 3 386.499 0.924 20 30 GCEDHM C[C@@H]1CSC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000349562069 530695418 /nfs/dbraw/zinc/69/54/18/530695418.db2.gz ARCVNVOUVOWILO-MBNYWOFBSA-N -1 3 395.572 0.659 20 30 GCEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@]23NC(=O)NC3=O)c1 ZINC000274908719 530696703 /nfs/dbraw/zinc/69/67/03/530696703.db2.gz WYMJDNDCOMJBLT-BONVTDFDSA-N -1 3 382.829 0.868 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCOCC1 ZINC000349575582 530701604 /nfs/dbraw/zinc/70/16/04/530701604.db2.gz OJGPGPSJIMBZSN-DZGCQCFKSA-N -1 3 393.531 0.477 20 30 GCEDHM C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)CO1 ZINC000349576520 530701680 /nfs/dbraw/zinc/70/16/80/530701680.db2.gz PVRBGYOHQXUARN-BZPMIXESSA-N -1 3 379.504 0.085 20 30 GCEDHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N ZINC000579140449 530739385 /nfs/dbraw/zinc/73/93/85/530739385.db2.gz DKPPMHKUKFAANB-NWDGAFQWSA-N -1 3 375.472 0.532 20 30 GCEDHM C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCCS(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000349617098 530721926 /nfs/dbraw/zinc/72/19/26/530721926.db2.gz MRQDEGYWUGUCRZ-NFAWXSAZSA-N -1 3 393.531 0.163 20 30 GCEDHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCCS(=O)(=O)N1CC(C)(C#N)C1 ZINC000349618571 530721943 /nfs/dbraw/zinc/72/19/43/530721943.db2.gz ODWUJVPSIVMQSC-UHFFFAOYSA-N -1 3 375.476 0.415 20 30 GCEDHM C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nnc(SCCO)[n-]2)cc1 ZINC000475445405 530724877 /nfs/dbraw/zinc/72/48/77/530724877.db2.gz PXMLRIXSUZLCIZ-UHFFFAOYSA-N -1 3 383.455 0.606 20 30 GCEDHM C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(SCCO)n[n-]2)cc1 ZINC000475445405 530724881 /nfs/dbraw/zinc/72/48/81/530724881.db2.gz PXMLRIXSUZLCIZ-UHFFFAOYSA-N -1 3 383.455 0.606 20 30 GCEDHM C=CCNS(=O)(=O)c1ccc(C(=O)Nc2n[n-]c(SCCO)n2)cc1 ZINC000475445405 530724883 /nfs/dbraw/zinc/72/48/83/530724883.db2.gz PXMLRIXSUZLCIZ-UHFFFAOYSA-N -1 3 383.455 0.606 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC(C)(C)O ZINC000578380183 530730751 /nfs/dbraw/zinc/73/07/51/530730751.db2.gz VOVNJUACJLUCLP-NSHDSACASA-N -1 3 375.472 0.268 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1C[C@@H](O)C1(C)C ZINC000578549772 530733019 /nfs/dbraw/zinc/73/30/19/530733019.db2.gz ZIKWPUGSOKLXSR-UONOGXRCSA-N -1 3 387.483 0.268 20 30 GCEDHM C[C@H]1OCC[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000581199549 530755214 /nfs/dbraw/zinc/75/52/14/530755214.db2.gz HKWJFFBBQPFPRQ-VXGBXAGGSA-N -1 3 387.483 0.723 20 30 GCEDHM CC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N)[C@@H](C)O ZINC000581834900 530763597 /nfs/dbraw/zinc/76/35/97/530763597.db2.gz DULYHWZPOMIOOA-TUAOUCFPSA-N -1 3 375.472 0.315 20 30 GCEDHM C[C@H](C[C@H]1CCCO1)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000582371092 530777298 /nfs/dbraw/zinc/77/72/98/530777298.db2.gz LOGALLAXMXEUMI-CHWSQXEVSA-N -1 3 387.483 0.724 20 30 GCEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)OC ZINC000481578942 530779319 /nfs/dbraw/zinc/77/93/19/530779319.db2.gz FBOQUSXMXUGTFA-SNVBAGLBSA-N -1 3 379.232 0.867 20 30 GCEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1cc(OC)c(OC)cc1F)C(=O)OC ZINC000481584025 530779450 /nfs/dbraw/zinc/77/94/50/530779450.db2.gz YAYLIHDTMPPUQA-LLVKDONJSA-N -1 3 377.390 0.865 20 30 GCEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC)C(=O)OC ZINC000481603743 530780010 /nfs/dbraw/zinc/78/00/10/530780010.db2.gz AMMZKYBKHLKJOV-LBPRGKRZSA-N -1 3 375.374 0.635 20 30 GCEDHM C=CCOC[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)C(=O)OC ZINC000481760529 530780648 /nfs/dbraw/zinc/78/06/48/530780648.db2.gz FTNSPJVHELFXPT-WDEREUQCSA-N -1 3 376.456 0.275 20 30 GCEDHM CS(=O)(=O)N[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000445029709 530801919 /nfs/dbraw/zinc/80/19/19/530801919.db2.gz CJLBAHNJLASRHV-QWHCGFSZSA-N -1 3 375.447 0.836 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]CCN2CCS(=O)(=O)CC2)c(Cl)c1 ZINC000414457460 530837240 /nfs/dbraw/zinc/83/72/40/530837240.db2.gz LBEMWXODZSCNSL-UHFFFAOYSA-N -1 3 377.875 0.220 20 30 GCEDHM N#CCN1CCC(NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000619677165 530821795 /nfs/dbraw/zinc/82/17/95/530821795.db2.gz VLJURFWNGGQUAZ-UHFFFAOYSA-N -1 3 381.849 0.786 20 30 GCEDHM N#CCN1CCC(NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000619677165 530821802 /nfs/dbraw/zinc/82/18/02/530821802.db2.gz VLJURFWNGGQUAZ-UHFFFAOYSA-N -1 3 381.849 0.786 20 30 GCEDHM CS(=O)(=O)N1CCC[C@@H]1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000513180663 530822596 /nfs/dbraw/zinc/82/25/96/530822596.db2.gz GPRKXYMHWICDRB-SNVBAGLBSA-N -1 3 388.427 0.169 20 30 GCEDHM CS(=O)(=O)N1CC[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000513110109 530822625 /nfs/dbraw/zinc/82/26/25/530822625.db2.gz KEWPYSQGBYROLR-JTQLQIEISA-N -1 3 377.875 0.771 20 30 GCEDHM CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)C1 ZINC000582677102 530846597 /nfs/dbraw/zinc/84/65/97/530846597.db2.gz LQHFXIYWNKJAJH-STQMWFEESA-N -1 3 387.483 0.676 20 30 GCEDHM CCOC(=O)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416461530 530846701 /nfs/dbraw/zinc/84/67/01/530846701.db2.gz ZRFVSIHAJOLYSZ-ZDUSSCGKSA-N -1 3 391.243 0.913 20 30 GCEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](O)Cn1ccnn1 ZINC000416547924 530847581 /nfs/dbraw/zinc/84/75/81/530847581.db2.gz MOCLAQKNTQLYGH-NSHDSACASA-N -1 3 386.231 0.252 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@](C)(F)C1 ZINC000349458243 530874515 /nfs/dbraw/zinc/87/45/15/530874515.db2.gz GITHLBKPGWNNRF-UONOGXRCSA-N -1 3 381.495 0.752 20 30 GCEDHM COCC1(C#N)CCN(C(=O)NCC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000499969254 530857929 /nfs/dbraw/zinc/85/79/29/530857929.db2.gz PLCRJSBKDAZZSG-UHFFFAOYSA-N -1 3 386.499 0.988 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC=C(F)C1 ZINC000348354032 530860941 /nfs/dbraw/zinc/86/09/41/530860941.db2.gz SJJWERFRCKHCBS-AWEZNQCLSA-N -1 3 379.479 0.877 20 30 GCEDHM CS(=O)(=O)N1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000269657211 530867359 /nfs/dbraw/zinc/86/73/59/530867359.db2.gz JUZJFKWZNUEMHH-LBPRGKRZSA-N -1 3 377.875 0.914 20 30 GCEDHM COCC1(C)CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-][C@@H](C)C#N)C1 ZINC000349445363 530872676 /nfs/dbraw/zinc/87/26/76/530872676.db2.gz FORMLFDMEXYDRQ-LBPRGKRZSA-N -1 3 387.483 0.534 20 30 GCEDHM C[C@@H]1[C@H](O)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349447683 530873475 /nfs/dbraw/zinc/87/34/75/530873475.db2.gz IXYIUODRJOMBCI-VXGBXAGGSA-N -1 3 385.467 0.165 20 30 GCEDHM C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000349455663 530874109 /nfs/dbraw/zinc/87/41/09/530874109.db2.gz CDSZEQGYTWFCLY-ZIAGYGMSSA-N -1 3 393.531 0.307 20 30 GCEDHM CC(C)NS(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000428384179 530897877 /nfs/dbraw/zinc/89/78/77/530897877.db2.gz WSKCDEAHARBBPA-UHFFFAOYSA-N -1 3 380.879 0.322 20 30 GCEDHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000531802963 530897915 /nfs/dbraw/zinc/89/79/15/530897915.db2.gz MBYGTIKTFCBPQH-DGCLKSJQSA-N -1 3 375.447 0.694 20 30 GCEDHM C[C@@H]1SCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000349532974 530898753 /nfs/dbraw/zinc/89/87/53/530898753.db2.gz CIOUEMLCUUCEMW-SCRDCRAPSA-N -1 3 395.572 0.802 20 30 GCEDHM C[C@@H]1SCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000349532972 530898906 /nfs/dbraw/zinc/89/89/06/530898906.db2.gz CIOUEMLCUUCEMW-OBJOEFQTSA-N -1 3 395.572 0.802 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]CCNS(=O)(=O)c2cccnc2)c(F)c1 ZINC000532985560 530900227 /nfs/dbraw/zinc/90/02/27/530900227.db2.gz UGJJMXYFTGQKMC-UHFFFAOYSA-N -1 3 384.414 0.349 20 30 GCEDHM N#CC1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ncccc2F)C1 ZINC000349597889 530908668 /nfs/dbraw/zinc/90/86/68/530908668.db2.gz FWISTBXZVVIZHB-UHFFFAOYSA-N -1 3 376.435 0.528 20 30 GCEDHM N#C[C@]1(F)CCN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2cn[nH]c2)C1 ZINC000349599770 530909483 /nfs/dbraw/zinc/90/94/83/530909483.db2.gz BPPJBVNYSWYSHC-GFCCVEGCSA-N -1 3 379.439 0.199 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)CCO ZINC000349478465 530876176 /nfs/dbraw/zinc/87/61/76/530876176.db2.gz GTNZCQMPTOMJNT-RYUDHWBXSA-N -1 3 375.472 0.268 20 30 GCEDHM CN(C[C@H]1CCCN1C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349478343 530876196 /nfs/dbraw/zinc/87/61/96/530876196.db2.gz GQYPDTURWCPJDL-CYBMUJFWSA-N -1 3 386.499 0.203 20 30 GCEDHM CS[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C1 ZINC000349480653 530877199 /nfs/dbraw/zinc/87/71/99/530877199.db2.gz LBLUBOCEHVVOQH-LLVKDONJSA-N -1 3 375.497 0.614 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@](F)(C#N)C1 ZINC000349481616 530877597 /nfs/dbraw/zinc/87/75/97/530877597.db2.gz NVEJKXSHAZIIDH-SMDDNHRTSA-N -1 3 386.430 0.503 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCOC1 ZINC000349482038 530877781 /nfs/dbraw/zinc/87/77/81/530877781.db2.gz QHDNWAYUNXTKLU-HNNXBMFYSA-N -1 3 385.467 0.636 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCOC(C)(C)C1 ZINC000349494646 530880619 /nfs/dbraw/zinc/88/06/19/530880619.db2.gz NTOGHTXRXBTGIC-CQSZACIVSA-N -1 3 395.547 0.675 20 30 GCEDHM N#CC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cc3cc[nH]c3cn2)C1 ZINC000349495440 530881216 /nfs/dbraw/zinc/88/12/16/530881216.db2.gz FMWDCIRWXRFJTJ-UHFFFAOYSA-N -1 3 383.455 0.480 20 30 GCEDHM N#C[C@@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccnc2)C1 ZINC000349495601 530881243 /nfs/dbraw/zinc/88/12/43/530881243.db2.gz MDZPYUUFAWHEKA-ZDUSSCGKSA-N -1 3 376.435 0.481 20 30 GCEDHM N#CC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc3c(n2)CCC3)C1 ZINC000349502362 530883025 /nfs/dbraw/zinc/88/30/25/530883025.db2.gz NUJJMJQCFIOMMN-UHFFFAOYSA-N -1 3 384.483 0.487 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000349503722 530883526 /nfs/dbraw/zinc/88/35/26/530883526.db2.gz PSXLYPZKEJWFAE-SOUVJXGZSA-N -1 3 377.532 0.906 20 30 GCEDHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)CC(C)(C)C#N)cn1 ZINC000349503407 530883590 /nfs/dbraw/zinc/88/35/90/530883590.db2.gz UWJTULKJOANJND-UHFFFAOYSA-N -1 3 389.503 0.728 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000349503715 530883716 /nfs/dbraw/zinc/88/37/16/530883716.db2.gz PSXLYPZKEJWFAE-KFWWJZLASA-N -1 3 377.532 0.906 20 30 GCEDHM C[C@@H](CC#N)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1F ZINC000349515184 530887464 /nfs/dbraw/zinc/88/74/64/530887464.db2.gz AZQFGSLPUXWXCD-NSHDSACASA-N -1 3 378.451 0.916 20 30 GCEDHM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]C2(C#N)CCCCC2)C[C@@H]1O ZINC000349517976 530887985 /nfs/dbraw/zinc/88/79/85/530887985.db2.gz GITNLPVCDVFKTH-KGLIPLIRSA-N -1 3 393.531 0.165 20 30 GCEDHM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]C2(C#N)CCCCC2)C[C@@H]1O ZINC000349517975 530888281 /nfs/dbraw/zinc/88/82/81/530888281.db2.gz GITNLPVCDVFKTH-KBPBESRZSA-N -1 3 393.531 0.165 20 30 GCEDHM C[C@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cncc(F)c1 ZINC000349521437 530888762 /nfs/dbraw/zinc/88/87/62/530888762.db2.gz SUPHFSZVHVAEAX-LLVKDONJSA-N -1 3 378.451 0.774 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCO[C@H](C)C1 ZINC000349520232 530888931 /nfs/dbraw/zinc/88/89/31/530888931.db2.gz JIUJFSJGFZZMBR-ZIAGYGMSSA-N -1 3 381.520 0.285 20 30 GCEDHM CN(CC1CCOCC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349472759 530891862 /nfs/dbraw/zinc/89/18/62/530891862.db2.gz QJIZNKDMSANQRM-UHFFFAOYSA-N -1 3 387.483 0.536 20 30 GCEDHM N#CC1(CNS(=O)(=O)c2ccc(S(=O)(=O)[N-]CC(F)F)cc2)CC1 ZINC000583823511 530896452 /nfs/dbraw/zinc/89/64/52/530896452.db2.gz ZWSPXONZPKJUOG-UHFFFAOYSA-N -1 3 379.410 0.812 20 30 GCEDHM N#CCC1(O)CN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2ccco2)C1 ZINC000506372846 530897411 /nfs/dbraw/zinc/89/74/11/530897411.db2.gz PWUCMJKXEQHLAY-UHFFFAOYSA-N -1 3 381.435 0.920 20 30 GCEDHM COC(=O)C1([N-]S(=O)(=O)c2ccc(F)cc2C#N)CCS(=O)(=O)CC1 ZINC000501481547 530929407 /nfs/dbraw/zinc/92/94/07/530929407.db2.gz SQMAXVVZOGSTKB-UHFFFAOYSA-N -1 3 390.414 0.096 20 30 GCEDHM N#CCNC(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000511037424 530932571 /nfs/dbraw/zinc/93/25/71/530932571.db2.gz YWMFUCNLAUYRCQ-LLVKDONJSA-N -1 3 387.845 0.673 20 30 GCEDHM C=CCSCCNC(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000508861319 530914720 /nfs/dbraw/zinc/91/47/20/530914720.db2.gz HXLNQRXDHYCCER-UHFFFAOYSA-N -1 3 391.540 0.698 20 30 GCEDHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C2CCN(CC#N)CC2)cc1F ZINC000610757971 530921674 /nfs/dbraw/zinc/92/16/74/530921674.db2.gz BTVAXSVXMOJPTL-UHFFFAOYSA-N -1 3 375.447 0.495 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCc2nnnn2CC1 ZINC000333858878 530924941 /nfs/dbraw/zinc/92/49/41/530924941.db2.gz PJPCCCDFYDSALH-VIFPVBQESA-N -1 3 397.258 0.991 20 30 GCEDHM COC(=O)NCCc1ccc(S(=O)(=O)[N-]CCn2cnc(C#N)n2)s1 ZINC000285474172 530926925 /nfs/dbraw/zinc/92/69/25/530926925.db2.gz CFLKVAKOFWMBHI-UHFFFAOYSA-N -1 3 384.443 0.088 20 30 GCEDHM C=CCn1cc(C[N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2OC)nn1 ZINC000425178679 530942173 /nfs/dbraw/zinc/94/21/73/530942173.db2.gz MSZRJOHAOMFELM-UHFFFAOYSA-N -1 3 386.455 0.355 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCCC[C@H]1O ZINC000516785557 530955649 /nfs/dbraw/zinc/95/56/49/530955649.db2.gz NSNIGUMCVAAATD-QWHCGFSZSA-N -1 3 387.483 0.318 20 30 GCEDHM CC(C)[C@@H](CO)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000572135484 530985737 /nfs/dbraw/zinc/98/57/37/530985737.db2.gz AYZKALXNPSHCSO-GFCCVEGCSA-N -1 3 389.499 0.562 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)CCS(=O)(=O)CC)ccc1F ZINC000270418852 531005546 /nfs/dbraw/zinc/00/55/46/531005546.db2.gz OAMTVLZPLFABOR-UHFFFAOYSA-N -1 3 392.474 0.797 20 30 GCEDHM C=CCNC(=O)CNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000271979377 531006234 /nfs/dbraw/zinc/00/62/34/531006234.db2.gz MJYDVZGSYDJGTN-UHFFFAOYSA-N -1 3 396.288 0.207 20 30 GCEDHM C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)OC)c1 ZINC000272804252 531007729 /nfs/dbraw/zinc/00/77/29/531007729.db2.gz FKRMDTFIHYGKBS-UHFFFAOYSA-N -1 3 383.394 0.631 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CC[C@H](C#N)C1 ZINC000424626727 531052245 /nfs/dbraw/zinc/05/22/45/531052245.db2.gz VDOUWSYWXPRDSO-QWHCGFSZSA-N -1 3 382.467 0.801 20 30 GCEDHM CC#CC[C@@H](CO)NC(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000649194248 531075892 /nfs/dbraw/zinc/07/58/92/531075892.db2.gz YBBUOSOGLLVBPA-NSHDSACASA-N -1 3 378.372 0.874 20 30 GCEDHM CN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C(C)(C)C#N)CC1 ZINC000514872192 531084503 /nfs/dbraw/zinc/08/45/03/531084503.db2.gz CQBZNZRJBDEERA-UHFFFAOYSA-N -1 3 386.499 0.203 20 30 GCEDHM C=CCNC(=O)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000551215543 531135967 /nfs/dbraw/zinc/13/59/67/531135967.db2.gz SXEFSDVZBULXPK-UHFFFAOYSA-N -1 3 376.818 0.716 20 30 GCEDHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NCC2(CC#N)CC2)s1 ZINC000435955391 531144098 /nfs/dbraw/zinc/14/40/98/531144098.db2.gz DONNEBKXFIYHBF-UHFFFAOYSA-N -1 3 384.483 0.473 20 30 GCEDHM CC1(CNS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CCOCC1 ZINC000565229432 531181620 /nfs/dbraw/zinc/18/16/20/531181620.db2.gz CRMAWBHSMPBPAJ-UHFFFAOYSA-N -1 3 387.483 0.583 20 30 GCEDHM CC[C@@](C)(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000565231882 531182675 /nfs/dbraw/zinc/18/26/75/531182675.db2.gz KUALVCVGUZSHSB-CQSZACIVSA-N -1 3 387.483 0.460 20 30 GCEDHM C=CCN(C(=O)C[N-]S(=O)(=O)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000565570493 531188036 /nfs/dbraw/zinc/18/80/36/531188036.db2.gz GDUZFDHDIYJBEY-LBPRGKRZSA-N -1 3 390.458 0.306 20 30 GCEDHM N#C[C@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)CCO1 ZINC000442602633 531188657 /nfs/dbraw/zinc/18/86/57/531188657.db2.gz VXMILTLSPIYGBT-NSHDSACASA-N -1 3 390.824 0.691 20 30 GCEDHM CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1O ZINC000565786326 531190090 /nfs/dbraw/zinc/19/00/90/531190090.db2.gz QIIMJWBCOGIIOJ-CHWSQXEVSA-N -1 3 387.483 0.412 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)N[C@@](C)(COC)C1=O ZINC000735426286 598828154 /nfs/dbraw/zinc/82/81/54/598828154.db2.gz OPIZLZSMGLTLFB-SFHVURJKSA-N -1 3 385.428 0.769 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C(=O)N[C@@](C)(COC)C1=O ZINC000735426286 598828156 /nfs/dbraw/zinc/82/81/56/598828156.db2.gz OPIZLZSMGLTLFB-SFHVURJKSA-N -1 3 385.428 0.769 20 30 GCEDHM C#CCNC(=O)C1CCN([C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735381900 598859816 /nfs/dbraw/zinc/85/98/16/598859816.db2.gz RULRYYQTCCPYQQ-MRXNPFEDSA-N -1 3 382.424 0.542 20 30 GCEDHM C#CCNC(=O)C1CCN([C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735381900 598859818 /nfs/dbraw/zinc/85/98/18/598859818.db2.gz RULRYYQTCCPYQQ-MRXNPFEDSA-N -1 3 382.424 0.542 20 30 GCEDHM N#Cc1cc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)ccc1-c1nnn[n-]1 ZINC000737705234 598916977 /nfs/dbraw/zinc/91/69/77/598916977.db2.gz OWVZXTYXKTYJPD-UHFFFAOYSA-N -1 3 396.392 0.174 20 30 GCEDHM N#Cc1cc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)ccc1-c1nn[n-]n1 ZINC000737705234 598916979 /nfs/dbraw/zinc/91/69/79/598916979.db2.gz OWVZXTYXKTYJPD-UHFFFAOYSA-N -1 3 396.392 0.174 20 30 GCEDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCNc1ncccc1C#N ZINC000737296997 598952937 /nfs/dbraw/zinc/95/29/37/598952937.db2.gz CXPBKNHSDKHILR-UHFFFAOYSA-N -1 3 384.425 0.832 20 30 GCEDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCNc1ncccc1C#N ZINC000737296997 598952938 /nfs/dbraw/zinc/95/29/38/598952938.db2.gz CXPBKNHSDKHILR-UHFFFAOYSA-N -1 3 384.425 0.832 20 30 GCEDHM Cc1cc(C#N)ccc1S(=O)(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737231268 598999577 /nfs/dbraw/zinc/99/95/77/598999577.db2.gz MBCNFNHPMFNLTP-UHFFFAOYSA-N -1 3 384.425 0.832 20 30 GCEDHM Cc1cc(C#N)ccc1S(=O)(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737231268 598999578 /nfs/dbraw/zinc/99/95/78/598999578.db2.gz MBCNFNHPMFNLTP-UHFFFAOYSA-N -1 3 384.425 0.832 20 30 GCEDHM C#Cc1cccc(NC(=O)CN[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735391171 599092584 /nfs/dbraw/zinc/09/25/84/599092584.db2.gz NWRRPHODGRWCLE-KRWDZBQOSA-N -1 3 375.392 0.603 20 30 GCEDHM C#Cc1cccc(NC(=O)CN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735391171 599092587 /nfs/dbraw/zinc/09/25/87/599092587.db2.gz NWRRPHODGRWCLE-KRWDZBQOSA-N -1 3 375.392 0.603 20 30 GCEDHM N#Cc1ccc(OCC(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737722325 599111947 /nfs/dbraw/zinc/11/19/47/599111947.db2.gz SERSZCQEHOBFLB-MRXNPFEDSA-N -1 3 378.348 0.887 20 30 GCEDHM N#Cc1ccc(OCC(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737722325 599111948 /nfs/dbraw/zinc/11/19/48/599111948.db2.gz SERSZCQEHOBFLB-MRXNPFEDSA-N -1 3 378.348 0.887 20 30 GCEDHM N#Cc1ccc(NCC(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737717916 599123029 /nfs/dbraw/zinc/12/30/29/599123029.db2.gz CDSQQOBJMXZAGT-INIZCTEOSA-N -1 3 377.364 0.920 20 30 GCEDHM N#Cc1ccc(NCC(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737717916 599123031 /nfs/dbraw/zinc/12/30/31/599123031.db2.gz CDSQQOBJMXZAGT-INIZCTEOSA-N -1 3 377.364 0.920 20 30 GCEDHM Cc1c(C#N)cccc1NC(=O)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000822016394 607272860 /nfs/dbraw/zinc/27/28/60/607272860.db2.gz ZSPPDJNIJATATM-UHFFFAOYSA-N -1 3 391.395 0.609 20 30 GCEDHM Cc1c(C#N)cccc1NC(=O)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000822016394 607272861 /nfs/dbraw/zinc/27/28/61/607272861.db2.gz ZSPPDJNIJATATM-UHFFFAOYSA-N -1 3 391.395 0.609 20 30 GCEDHM C=CCNC(=O)CN1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000819751101 599271252 /nfs/dbraw/zinc/27/12/52/599271252.db2.gz PONAKNGQWOUFRS-UHFFFAOYSA-N -1 3 384.444 0.627 20 30 GCEDHM C=CCNC(=O)CN1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000819751101 599271255 /nfs/dbraw/zinc/27/12/55/599271255.db2.gz PONAKNGQWOUFRS-UHFFFAOYSA-N -1 3 384.444 0.627 20 30 GCEDHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN(CCC#N)CCC#N)C1=O ZINC000736223706 598233127 /nfs/dbraw/zinc/23/31/27/598233127.db2.gz PDGUWXNDPQKYLY-SFHVURJKSA-N -1 3 393.411 0.721 20 30 GCEDHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN(CCC#N)CCC#N)C1=O ZINC000736223706 598233128 /nfs/dbraw/zinc/23/31/28/598233128.db2.gz PDGUWXNDPQKYLY-SFHVURJKSA-N -1 3 393.411 0.721 20 30 GCEDHM CCN(C[C@H](C)C#N)C(=O)CN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000736511197 598249153 /nfs/dbraw/zinc/24/91/53/598249153.db2.gz BBYWDGVWVCUANF-CQSZACIVSA-N -1 3 383.460 0.392 20 30 GCEDHM CCN(C[C@H](C)C#N)C(=O)CN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000736511197 598249154 /nfs/dbraw/zinc/24/91/54/598249154.db2.gz BBYWDGVWVCUANF-CQSZACIVSA-N -1 3 383.460 0.392 20 30 GCEDHM C=CCNC(=O)NC(=O)CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735432256 598255863 /nfs/dbraw/zinc/25/58/63/598255863.db2.gz PAFLJTRWXSNDBU-UHFFFAOYSA-N -1 3 388.407 0.140 20 30 GCEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000737513841 598293227 /nfs/dbraw/zinc/29/32/27/598293227.db2.gz VZQXIRHXZVDMEE-UHFFFAOYSA-N -1 3 398.431 0.548 20 30 GCEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000737513841 598293228 /nfs/dbraw/zinc/29/32/28/598293228.db2.gz VZQXIRHXZVDMEE-UHFFFAOYSA-N -1 3 398.431 0.548 20 30 GCEDHM CCc1nn(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)c(=O)c(C#N)c1CC ZINC000736705256 598374381 /nfs/dbraw/zinc/37/43/81/598374381.db2.gz DJOFELWGNMDOPC-ZDUSSCGKSA-N -1 3 395.423 0.860 20 30 GCEDHM N#CCCN(CCN1CCOCC1)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000737687858 598384945 /nfs/dbraw/zinc/38/49/45/598384945.db2.gz WMKJVJWOZGDZGQ-UHFFFAOYSA-N -1 3 384.444 0.353 20 30 GCEDHM Cc1cc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)n(CCC#N)n1 ZINC000737271844 598472216 /nfs/dbraw/zinc/47/22/16/598472216.db2.gz PJHKZGFDGQOXQB-UHFFFAOYSA-N -1 3 379.384 0.654 20 30 GCEDHM Cc1cc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)n(CCC#N)n1 ZINC000737271844 598472217 /nfs/dbraw/zinc/47/22/17/598472217.db2.gz PJHKZGFDGQOXQB-UHFFFAOYSA-N -1 3 379.384 0.654 20 30 GCEDHM C=CCN(CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000735419007 598538472 /nfs/dbraw/zinc/53/84/72/598538472.db2.gz OGYCIHUQZQCUSB-HNNXBMFYSA-N -1 3 390.469 0.870 20 30 GCEDHM N#CCNC(=O)COC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000737696203 598542659 /nfs/dbraw/zinc/54/26/59/598542659.db2.gz OYBZNHDMTTVHMZ-UHFFFAOYSA-N -1 3 382.336 0.835 20 30 GCEDHM N#CCNC(=O)COC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000737696203 598542661 /nfs/dbraw/zinc/54/26/61/598542661.db2.gz OYBZNHDMTTVHMZ-UHFFFAOYSA-N -1 3 382.336 0.835 20 30 GCEDHM CC(C)[C@@H](C#N)N1CCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735689705 598619562 /nfs/dbraw/zinc/61/95/62/598619562.db2.gz ALKRPHLPOJNBKJ-QGZVFWFLSA-N -1 3 382.472 0.649 20 30 GCEDHM CC(C)[C@@H](C#N)N1CCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735689705 598619564 /nfs/dbraw/zinc/61/95/64/598619564.db2.gz ALKRPHLPOJNBKJ-QGZVFWFLSA-N -1 3 382.472 0.649 20 30 GCEDHM CC(C)[C@H](C#N)N1CCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735689702 598619637 /nfs/dbraw/zinc/61/96/37/598619637.db2.gz ALKRPHLPOJNBKJ-KRWDZBQOSA-N -1 3 382.472 0.649 20 30 GCEDHM CC(C)[C@H](C#N)N1CCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735689702 598619639 /nfs/dbraw/zinc/61/96/39/598619639.db2.gz ALKRPHLPOJNBKJ-KRWDZBQOSA-N -1 3 382.472 0.649 20 30 GCEDHM CC[C@H](CNC(=O)c1ccc(C#N)cn1)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736349391 598688091 /nfs/dbraw/zinc/68/80/91/598688091.db2.gz GIRJNIBICWEOIW-CYBMUJFWSA-N -1 3 391.395 0.467 20 30 GCEDHM CC[C@H](CNC(=O)c1ccc(C#N)cn1)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736349391 598688092 /nfs/dbraw/zinc/68/80/92/598688092.db2.gz GIRJNIBICWEOIW-CYBMUJFWSA-N -1 3 391.395 0.467 20 30 GCEDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCCNC(=O)C1N=CC=CC1=O ZINC000737941996 598697616 /nfs/dbraw/zinc/69/76/16/598697616.db2.gz RKMVYCLPOMVXRZ-BMRADRMJSA-N -1 3 399.436 0.601 20 30 GCEDHM C#CCNC(=O)COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735382333 598725199 /nfs/dbraw/zinc/72/51/99/598725199.db2.gz YRPFROWIUVRAKR-UHFFFAOYSA-N -1 3 378.348 0.960 20 30 GCEDHM C#CCNC(=O)COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735382333 598725200 /nfs/dbraw/zinc/72/52/00/598725200.db2.gz YRPFROWIUVRAKR-UHFFFAOYSA-N -1 3 378.348 0.960 20 30 GCEDHM C[C@H](NC(=O)NCCNC(=O)C1N=CC=CC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736119941 598728697 /nfs/dbraw/zinc/72/86/97/598728697.db2.gz XBZKROMMWIUZGV-NRYCMEERSA-N -1 3 396.411 0.753 20 30 GCEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000737287707 598762094 /nfs/dbraw/zinc/76/20/94/598762094.db2.gz GPMMNTKUMQZIMB-CQSZACIVSA-N -1 3 380.412 0.312 20 30 GCEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000737287707 598762096 /nfs/dbraw/zinc/76/20/96/598762096.db2.gz GPMMNTKUMQZIMB-CQSZACIVSA-N -1 3 380.412 0.312 20 30 GCEDHM N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C1CC1 ZINC000737678472 598762447 /nfs/dbraw/zinc/76/24/47/598762447.db2.gz IMTIUKLLDHLTED-LBPRGKRZSA-N -1 3 384.375 0.143 20 30 GCEDHM N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C1CC1 ZINC000737678472 598762449 /nfs/dbraw/zinc/76/24/49/598762449.db2.gz IMTIUKLLDHLTED-LBPRGKRZSA-N -1 3 384.375 0.143 20 30 GCEDHM C#CCN(C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000735374256 598818236 /nfs/dbraw/zinc/81/82/36/598818236.db2.gz GARCJVDIIAFYKV-OCCSQVGLSA-N -1 3 389.437 0.283 20 30 GCEDHM C=CCn1c(C)nnc1S(=O)(=O)CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000819759313 599299123 /nfs/dbraw/zinc/29/91/23/599299123.db2.gz TYKAMJQGUMENLE-UHFFFAOYSA-N -1 3 388.413 0.365 20 30 GCEDHM C=CCn1c(C)nnc1S(=O)(=O)CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000819759313 599299125 /nfs/dbraw/zinc/29/91/25/599299125.db2.gz TYKAMJQGUMENLE-UHFFFAOYSA-N -1 3 388.413 0.365 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cc1 ZINC000822833848 599319228 /nfs/dbraw/zinc/31/92/28/599319228.db2.gz XOQIGTBMOKFYHP-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cc1 ZINC000822833848 599319230 /nfs/dbraw/zinc/31/92/30/599319230.db2.gz XOQIGTBMOKFYHP-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM C=CCN(Cc1nc(CS(C)(=O)=O)no1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745980 599566556 /nfs/dbraw/zinc/56/65/56/599566556.db2.gz XHQWKPGSDLNJBF-UHFFFAOYSA-N -1 3 389.441 0.983 20 30 GCEDHM C=CCN(Cc1nc(CS(C)(=O)=O)no1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819745980 599566559 /nfs/dbraw/zinc/56/65/59/599566559.db2.gz XHQWKPGSDLNJBF-UHFFFAOYSA-N -1 3 389.441 0.983 20 30 GCEDHM Cc1cccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)c1-c1nnn[n-]1 ZINC000822319466 599596936 /nfs/dbraw/zinc/59/69/36/599596936.db2.gz STPZOZGBIHVZPW-UHFFFAOYSA-N -1 3 394.399 0.040 20 30 GCEDHM Cc1cccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)c1-c1nn[n-]n1 ZINC000822319466 599596938 /nfs/dbraw/zinc/59/69/38/599596938.db2.gz STPZOZGBIHVZPW-UHFFFAOYSA-N -1 3 394.399 0.040 20 30 GCEDHM N#Cc1cccc(NC(=O)C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822836980 599612376 /nfs/dbraw/zinc/61/23/76/599612376.db2.gz CSWNDMJLFVCHAZ-UHFFFAOYSA-N -1 3 377.364 0.872 20 30 GCEDHM C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819751303 599679922 /nfs/dbraw/zinc/67/99/22/599679922.db2.gz TVYUBXFWDAQRRI-AWEZNQCLSA-N -1 3 398.471 0.557 20 30 GCEDHM C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819751303 599679923 /nfs/dbraw/zinc/67/99/23/599679923.db2.gz TVYUBXFWDAQRRI-AWEZNQCLSA-N -1 3 398.471 0.557 20 30 GCEDHM Cc1cc(NC(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)n(CCC#N)n1 ZINC000826269319 607515594 /nfs/dbraw/zinc/51/55/94/607515594.db2.gz IEHCAUPADRBYCL-UHFFFAOYSA-N -1 3 379.384 0.540 20 30 GCEDHM Cc1cc(NC(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)n(CCC#N)n1 ZINC000826269319 607515597 /nfs/dbraw/zinc/51/55/97/607515597.db2.gz IEHCAUPADRBYCL-UHFFFAOYSA-N -1 3 379.384 0.540 20 30 GCEDHM Cc1cc(NC(=O)C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)n(CCC#N)n1 ZINC000826269223 607515646 /nfs/dbraw/zinc/51/56/46/607515646.db2.gz FMZVPZMWEQYBNY-UHFFFAOYSA-N -1 3 393.411 0.882 20 30 GCEDHM Cc1cc(NC(=O)C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)n(CCC#N)n1 ZINC000826269223 607515648 /nfs/dbraw/zinc/51/56/48/607515648.db2.gz FMZVPZMWEQYBNY-UHFFFAOYSA-N -1 3 393.411 0.882 20 30 GCEDHM CN1CCC(n2c(=O)c(=Cc3c[nH]c(C(=O)[O-])c3)sc2=C(C#N)C#N)CC1 ZINC000830928953 601829536 /nfs/dbraw/zinc/82/95/36/601829536.db2.gz SXXLDFYQUKHNDH-UHFFFAOYSA-N -1 3 383.433 0.229 20 30 GCEDHM C#CCCN1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000823844683 607597110 /nfs/dbraw/zinc/59/71/10/607597110.db2.gz GMPOLPPLGUZKDW-UHFFFAOYSA-N -1 3 380.861 0.850 20 30 GCEDHM C#CCCN1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000823844683 607597111 /nfs/dbraw/zinc/59/71/11/607597111.db2.gz GMPOLPPLGUZKDW-UHFFFAOYSA-N -1 3 380.861 0.850 20 30 GCEDHM COc1ccc(COC(=O)CCNC(=O)C2N=CC=CC2=O)cc1-c1nnn[n-]1 ZINC000826205371 607609396 /nfs/dbraw/zinc/60/93/96/607609396.db2.gz UEIUCTFBTOEBSW-VLGSPTGOSA-N -1 3 398.379 0.835 20 30 GCEDHM COc1ccc(COC(=O)CCNC(=O)C2N=CC=CC2=O)cc1-c1nn[n-]n1 ZINC000826205371 607609398 /nfs/dbraw/zinc/60/93/98/607609398.db2.gz UEIUCTFBTOEBSW-VLGSPTGOSA-N -1 3 398.379 0.835 20 30 GCEDHM C=CCN1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1 ZINC000823919406 607609487 /nfs/dbraw/zinc/60/94/87/607609487.db2.gz FAAQPQOVBYQZLA-UHFFFAOYSA-N -1 3 393.429 0.704 20 30 GCEDHM C=CCN1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000823919406 607609488 /nfs/dbraw/zinc/60/94/88/607609488.db2.gz FAAQPQOVBYQZLA-UHFFFAOYSA-N -1 3 393.429 0.704 20 30 GCEDHM COc1ccc(CNC(=O)CCNC(=O)C2N=CC=CC2=O)cc1-c1nnn[n-]1 ZINC000826196547 607627850 /nfs/dbraw/zinc/62/78/50/607627850.db2.gz GHMDBMSQPLFJIO-FBMGVBCBSA-N -1 3 397.395 0.408 20 30 GCEDHM COc1ccc(CNC(=O)CCNC(=O)C2N=CC=CC2=O)cc1-c1nn[n-]n1 ZINC000826196547 607627851 /nfs/dbraw/zinc/62/78/51/607627851.db2.gz GHMDBMSQPLFJIO-FBMGVBCBSA-N -1 3 397.395 0.408 20 30 GCEDHM Cc1nc(C#N)c(N2CCN(C(=O)CN(C[C@H](C)C(=O)[O-])C3CC3)CC2)o1 ZINC000832994037 604743746 /nfs/dbraw/zinc/74/37/46/604743746.db2.gz FOZKNZQDHAJASO-LBPRGKRZSA-N -1 3 375.429 0.688 20 30 GCEDHM COC[C@@](C)(CC(=O)[O-])NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000833721770 605058824 /nfs/dbraw/zinc/05/88/24/605058824.db2.gz GQIXZEXDKZQSJY-RDTXWAMCSA-N -1 3 394.497 0.926 20 30 GCEDHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC000824236432 607734819 /nfs/dbraw/zinc/73/48/19/607734819.db2.gz NTXVMJIHPLRPEC-LBPRGKRZSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC000824236432 607734820 /nfs/dbraw/zinc/73/48/20/607734820.db2.gz NTXVMJIHPLRPEC-LBPRGKRZSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)[C@@](C)(CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC000824192880 607739411 /nfs/dbraw/zinc/73/94/11/607739411.db2.gz OARCVNJPUWYXOW-GOSISDBHSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)[C@@](C)(CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC000824192880 607739412 /nfs/dbraw/zinc/73/94/12/607739412.db2.gz OARCVNJPUWYXOW-GOSISDBHSA-N -1 3 395.427 0.969 20 30 GCEDHM N#Cc1ccc(C(=O)NC[C@H]2CCC[C@H]2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[nH]1 ZINC000826384368 607743169 /nfs/dbraw/zinc/74/31/69/607743169.db2.gz SBJOPFZEOZIDQU-ZYHUDNBSSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1ccc(C(=O)NC[C@H]2CCC[C@H]2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[nH]1 ZINC000826384368 607743170 /nfs/dbraw/zinc/74/31/70/607743170.db2.gz SBJOPFZEOZIDQU-ZYHUDNBSSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[nH]1 ZINC000826384494 607743060 /nfs/dbraw/zinc/74/30/60/607743060.db2.gz XSZAZZXLAQZICJ-ZYHUDNBSSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[nH]1 ZINC000826384494 607743061 /nfs/dbraw/zinc/74/30/61/607743061.db2.gz XSZAZZXLAQZICJ-ZYHUDNBSSA-N -1 3 393.411 0.723 20 30 GCEDHM CN(CCCCNC(=O)c1ccc(C#N)[nH]1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825919289 607757003 /nfs/dbraw/zinc/75/70/03/607757003.db2.gz YFFDEQWPXQKAAY-UHFFFAOYSA-N -1 3 381.400 0.677 20 30 GCEDHM CN(CCCCNC(=O)c1ccc(C#N)[nH]1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825919289 607757004 /nfs/dbraw/zinc/75/70/04/607757004.db2.gz YFFDEQWPXQKAAY-UHFFFAOYSA-N -1 3 381.400 0.677 20 30 GCEDHM CCOC(=O)Nc1ccc(NC(=O)Cn2cnc(C#N)n2)cc1-c1nnn[n-]1 ZINC000825532877 607761365 /nfs/dbraw/zinc/76/13/65/607761365.db2.gz YXOPHHDPBDVCAC-UHFFFAOYSA-N -1 3 382.344 0.537 20 30 GCEDHM CCOC(=O)Nc1ccc(NC(=O)Cn2cnc(C#N)n2)cc1-c1nn[n-]n1 ZINC000825532877 607761366 /nfs/dbraw/zinc/76/13/66/607761366.db2.gz YXOPHHDPBDVCAC-UHFFFAOYSA-N -1 3 382.344 0.537 20 30 GCEDHM N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)cn1 ZINC000822829621 606031780 /nfs/dbraw/zinc/03/17/80/606031780.db2.gz ALGJSKHZKAWVSH-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000822829621 606031786 /nfs/dbraw/zinc/03/17/86/606031786.db2.gz ALGJSKHZKAWVSH-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM Cn1cc(C#N)c(NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)n1 ZINC000822665624 606163267 /nfs/dbraw/zinc/16/32/67/606163267.db2.gz UTEFGFRFKRPLMS-UHFFFAOYSA-N -1 3 379.388 0.221 20 30 GCEDHM Cn1cc(C#N)c(NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)n1 ZINC000822665624 606163270 /nfs/dbraw/zinc/16/32/70/606163270.db2.gz UTEFGFRFKRPLMS-UHFFFAOYSA-N -1 3 379.388 0.221 20 30 GCEDHM CC(C)(CNC(=O)c1cc(C#N)c[nH]1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000819980906 606272290 /nfs/dbraw/zinc/27/22/90/606272290.db2.gz IQQVTAMYMJVOLE-UHFFFAOYSA-N -1 3 381.400 0.581 20 30 GCEDHM CC(C)(CNC(=O)c1cc(C#N)c[nH]1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000819980906 606272292 /nfs/dbraw/zinc/27/22/92/606272292.db2.gz IQQVTAMYMJVOLE-UHFFFAOYSA-N -1 3 381.400 0.581 20 30 GCEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000822632117 606278717 /nfs/dbraw/zinc/27/87/17/606278717.db2.gz RBJDVQDIQFVEIH-UHFFFAOYSA-N -1 3 393.411 0.905 20 30 GCEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000822632117 606278718 /nfs/dbraw/zinc/27/87/18/606278718.db2.gz RBJDVQDIQFVEIH-UHFFFAOYSA-N -1 3 393.411 0.905 20 30 GCEDHM CCC[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(C#N)c[nH]1 ZINC000821020948 606317963 /nfs/dbraw/zinc/31/79/63/606317963.db2.gz KDNMDBMLVLCGQA-GFCCVEGCSA-N -1 3 381.400 0.723 20 30 GCEDHM CCC[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(C#N)c[nH]1 ZINC000821020948 606317964 /nfs/dbraw/zinc/31/79/64/606317964.db2.gz KDNMDBMLVLCGQA-GFCCVEGCSA-N -1 3 381.400 0.723 20 30 GCEDHM CC(C)[C@@](C)(CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(C#N)c[nH]1 ZINC000820017540 606321360 /nfs/dbraw/zinc/32/13/60/606321360.db2.gz ZHQFBOZIMRBRHD-GOSISDBHSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)[C@@](C)(CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(C#N)c[nH]1 ZINC000820017540 606321361 /nfs/dbraw/zinc/32/13/61/606321361.db2.gz ZHQFBOZIMRBRHD-GOSISDBHSA-N -1 3 395.427 0.969 20 30 GCEDHM NS(=O)(=O)c1ccc(N=NCc2ccc(-c3nnn[n-]3)s2)c([N+](=O)[O-])c1 ZINC000822899659 606368311 /nfs/dbraw/zinc/36/83/11/606368311.db2.gz NTKOGKMHGMQWEM-UHFFFAOYSA-N -1 3 394.398 0.930 20 30 GCEDHM CC(C)Cn1c(=O)c(=Cc2ccc(-c3nnn[n-]3)s2)sc1=C(C#N)C#N ZINC000820107901 606371593 /nfs/dbraw/zinc/37/15/93/606371593.db2.gz DBESRZRLDUQZJW-UHFFFAOYSA-N -1 3 383.462 0.834 20 30 GCEDHM CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(-c3nnn[n-]3)s2)c(=O)n1C ZINC000820004765 606371644 /nfs/dbraw/zinc/37/16/44/606371644.db2.gz BHKMRTQJMDIELG-UHFFFAOYSA-N -1 3 386.462 0.417 20 30 GCEDHM Cn1cc(C#N)cc1C(=O)OC/C=C\COC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822669802 606388094 /nfs/dbraw/zinc/38/80/94/606388094.db2.gz QFRRQXMMKNZUHW-ARJAWSKDSA-N -1 3 395.379 0.985 20 30 GCEDHM Cn1cc(C#N)cc1C(=O)OC/C=C\COC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822669802 606388096 /nfs/dbraw/zinc/38/80/96/606388096.db2.gz QFRRQXMMKNZUHW-ARJAWSKDSA-N -1 3 395.379 0.985 20 30 GCEDHM N#Cc1cc(S(N)(=O)=O)ccc1NCCNc1ncccc1-c1nnn[n-]1 ZINC000822822860 606461453 /nfs/dbraw/zinc/46/14/53/606461453.db2.gz FRYBBLCTIMKMQU-UHFFFAOYSA-N -1 3 385.413 0.305 20 30 GCEDHM N#Cc1cc(S(N)(=O)=O)ccc1NCCNc1ncccc1-c1nn[n-]n1 ZINC000822822860 606461455 /nfs/dbraw/zinc/46/14/55/606461455.db2.gz FRYBBLCTIMKMQU-UHFFFAOYSA-N -1 3 385.413 0.305 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)c1 ZINC000822818544 606510663 /nfs/dbraw/zinc/51/06/63/606510663.db2.gz CEKVCVNMDIIXOH-UHFFFAOYSA-N -1 3 379.384 0.383 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)c1 ZINC000822818544 606510666 /nfs/dbraw/zinc/51/06/66/606510666.db2.gz CEKVCVNMDIIXOH-UHFFFAOYSA-N -1 3 379.384 0.383 20 30 GCEDHM CS(=O)(=O)N1CCC[C@@H](CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)C1 ZINC000821931247 606637820 /nfs/dbraw/zinc/63/78/20/606637820.db2.gz BDEAOQRNNCCREJ-SECBINFHSA-N -1 3 394.486 0.479 20 30 GCEDHM CS(=O)(=O)N1CCC[C@@H](CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)C1 ZINC000821931247 606637821 /nfs/dbraw/zinc/63/78/21/606637821.db2.gz BDEAOQRNNCCREJ-SECBINFHSA-N -1 3 394.486 0.479 20 30 GCEDHM O=C(C#Cc1ccc2c(c1)OCO2)NCCNc1ncccc1-c1nnn[n-]1 ZINC000822911998 606800660 /nfs/dbraw/zinc/80/06/60/606800660.db2.gz HXKLBEMTOSNFDQ-UHFFFAOYSA-N -1 3 377.364 0.570 20 30 GCEDHM O=C(C#Cc1ccc2c(c1)OCO2)NCCNc1ncccc1-c1nn[n-]n1 ZINC000822911998 606800661 /nfs/dbraw/zinc/80/06/61/606800661.db2.gz HXKLBEMTOSNFDQ-UHFFFAOYSA-N -1 3 377.364 0.570 20 30 GCEDHM COc1ccc(CN=Nc2nccc(N3CCOCC3)n2)cc1-c1nnn[n-]1 ZINC000821787728 606820669 /nfs/dbraw/zinc/82/06/69/606820669.db2.gz YSWZVMVNCKKWGG-UHFFFAOYSA-N -1 3 381.400 0.948 20 30 GCEDHM COc1ccc(CN=Nc2nccc(N3CCOCC3)n2)cc1-c1nn[n-]n1 ZINC000821787728 606820671 /nfs/dbraw/zinc/82/06/71/606820671.db2.gz YSWZVMVNCKKWGG-UHFFFAOYSA-N -1 3 381.400 0.948 20 30 GCEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820803566 606821861 /nfs/dbraw/zinc/82/18/61/606821861.db2.gz CGXCHTBQLXCIAS-GFCCVEGCSA-N -1 3 375.396 0.879 20 30 GCEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820803566 606821862 /nfs/dbraw/zinc/82/18/62/606821862.db2.gz CGXCHTBQLXCIAS-GFCCVEGCSA-N -1 3 375.396 0.879 20 30 GCEDHM C#CCOCCOC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000819701262 606822908 /nfs/dbraw/zinc/82/29/08/606822908.db2.gz AQBGNYKIOQTJHI-AWEZNQCLSA-N -1 3 398.379 0.265 20 30 GCEDHM C#CCOCCOC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000819701262 606822909 /nfs/dbraw/zinc/82/29/09/606822909.db2.gz AQBGNYKIOQTJHI-AWEZNQCLSA-N -1 3 398.379 0.265 20 30 GCEDHM N#Cc1ccc([C@@H](O)CN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000822826025 606856558 /nfs/dbraw/zinc/85/65/58/606856558.db2.gz RPYPBJUBCRYGCN-KRWDZBQOSA-N -1 3 376.424 0.989 20 30 GCEDHM C=CCN(CC(=O)OCC)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819740286 606887336 /nfs/dbraw/zinc/88/73/36/606887336.db2.gz XEPDWAPYDULWGJ-UHFFFAOYSA-N -1 3 387.368 0.885 20 30 GCEDHM C=CCN(CC(=O)OCC)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819740286 606887337 /nfs/dbraw/zinc/88/73/37/606887337.db2.gz XEPDWAPYDULWGJ-UHFFFAOYSA-N -1 3 387.368 0.885 20 30 GCEDHM CCN(C[C@H](C)C#N)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821170026 606998216 /nfs/dbraw/zinc/99/82/16/606998216.db2.gz LOHJQSRWTGYVHU-NEPJUHHUSA-N -1 3 391.457 0.542 20 30 GCEDHM CCN(C[C@H](C)C#N)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821170026 606998217 /nfs/dbraw/zinc/99/82/17/606998217.db2.gz LOHJQSRWTGYVHU-NEPJUHHUSA-N -1 3 391.457 0.542 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC(C#N)CC1 ZINC000820444345 607016949 /nfs/dbraw/zinc/01/69/49/607016949.db2.gz IQTZAPMUVAPQKU-NSHDSACASA-N -1 3 389.441 0.296 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC(C#N)CC1 ZINC000820444345 607016951 /nfs/dbraw/zinc/01/69/51/607016951.db2.gz IQTZAPMUVAPQKU-NSHDSACASA-N -1 3 389.441 0.296 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1(C#N)CCCC1 ZINC000820445943 607022618 /nfs/dbraw/zinc/02/26/18/607022618.db2.gz RRXWFXPBMGKRFR-LLVKDONJSA-N -1 3 389.441 0.486 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1(C#N)CCCC1 ZINC000820445943 607022619 /nfs/dbraw/zinc/02/26/19/607022619.db2.gz RRXWFXPBMGKRFR-LLVKDONJSA-N -1 3 389.441 0.486 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCCCC#N ZINC000820451705 607023272 /nfs/dbraw/zinc/02/32/72/607023272.db2.gz WVCMGBOHUSENSV-NSHDSACASA-N -1 3 377.430 0.344 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCCCC#N ZINC000820451705 607023273 /nfs/dbraw/zinc/02/32/73/607023273.db2.gz WVCMGBOHUSENSV-NSHDSACASA-N -1 3 377.430 0.344 20 30 GCEDHM C=CC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819729818 607025068 /nfs/dbraw/zinc/02/50/68/607025068.db2.gz NESKEJREDPJNPG-GFCCVEGCSA-N -1 3 390.469 0.958 20 30 GCEDHM C=CC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819729818 607025070 /nfs/dbraw/zinc/02/50/70/607025070.db2.gz NESKEJREDPJNPG-GFCCVEGCSA-N -1 3 390.469 0.958 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C#N)C(C)(C)C ZINC000820438733 607053828 /nfs/dbraw/zinc/05/38/28/607053828.db2.gz VVOGHCWKYZMPHM-ZWNOBZJWSA-N -1 3 391.457 0.588 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C#N)C(C)(C)C ZINC000820438733 607053829 /nfs/dbraw/zinc/05/38/29/607053829.db2.gz VVOGHCWKYZMPHM-ZWNOBZJWSA-N -1 3 391.457 0.588 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C#N)C(C)(C)C ZINC000820444606 607053887 /nfs/dbraw/zinc/05/38/87/607053887.db2.gz KYWWPKRQWXPSBB-ZWNOBZJWSA-N -1 3 391.457 0.588 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C#N)C(C)(C)C ZINC000820444606 607053890 /nfs/dbraw/zinc/05/38/90/607053890.db2.gz KYWWPKRQWXPSBB-ZWNOBZJWSA-N -1 3 391.457 0.588 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C#N)C(C)(C)C ZINC000820444604 607054196 /nfs/dbraw/zinc/05/41/96/607054196.db2.gz KYWWPKRQWXPSBB-MFKMUULPSA-N -1 3 391.457 0.588 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C#N)C(C)(C)C ZINC000820444604 607054198 /nfs/dbraw/zinc/05/41/98/607054198.db2.gz KYWWPKRQWXPSBB-MFKMUULPSA-N -1 3 391.457 0.588 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H](C)S(C)(=O)=O ZINC000823909389 607836895 /nfs/dbraw/zinc/83/68/95/607836895.db2.gz BKKPXNMMBYRJJO-GFCCVEGCSA-N -1 3 378.458 0.997 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H](C)S(C)(=O)=O ZINC000823909389 607836896 /nfs/dbraw/zinc/83/68/96/607836896.db2.gz BKKPXNMMBYRJJO-GFCCVEGCSA-N -1 3 378.458 0.997 20 30 GCEDHM C#CCNC(=S)NCCCc1nn(-c2ccc(F)cc2)c(N)c1-c1nnn[n-]1 ZINC000823849952 607966176 /nfs/dbraw/zinc/96/61/76/607966176.db2.gz DUQVYHWCSZYGPC-UHFFFAOYSA-N -1 3 399.459 0.804 20 30 GCEDHM C#CCNC(=S)NCCCc1nn(-c2ccc(F)cc2)c(N)c1-c1nn[n-]n1 ZINC000823849952 607966177 /nfs/dbraw/zinc/96/61/77/607966177.db2.gz DUQVYHWCSZYGPC-UHFFFAOYSA-N -1 3 399.459 0.804 20 30 GCEDHM N#CCN1CCC(NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC000826382332 608063841 /nfs/dbraw/zinc/06/38/41/608063841.db2.gz YUPKCEQACZBCJE-KRWDZBQOSA-N -1 3 396.455 0.938 20 30 GCEDHM N#CCN1CCC(NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000826382332 608063842 /nfs/dbraw/zinc/06/38/42/608063842.db2.gz YUPKCEQACZBCJE-KRWDZBQOSA-N -1 3 396.455 0.938 20 30 GCEDHM C#CCOCCNC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823856178 608130104 /nfs/dbraw/zinc/13/01/04/608130104.db2.gz LVOHCYQNRFHHBM-HNNXBMFYSA-N -1 3 383.412 0.311 20 30 GCEDHM C#CCOCCNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823856178 608130105 /nfs/dbraw/zinc/13/01/05/608130105.db2.gz LVOHCYQNRFHHBM-HNNXBMFYSA-N -1 3 383.412 0.311 20 30 GCEDHM C=C(Cl)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000823882901 608139382 /nfs/dbraw/zinc/13/93/82/608139382.db2.gz FXWBPLLECOGTJY-UHFFFAOYSA-N -1 3 380.792 0.699 20 30 GCEDHM C=C(Cl)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000823882901 608139383 /nfs/dbraw/zinc/13/93/83/608139383.db2.gz FXWBPLLECOGTJY-UHFFFAOYSA-N -1 3 380.792 0.699 20 30 GCEDHM N#CCCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826381326 608143040 /nfs/dbraw/zinc/14/30/40/608143040.db2.gz HORCEZADHREUIS-UHFFFAOYSA-N -1 3 383.347 0.550 20 30 GCEDHM C#CCN(C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000823845361 608350766 /nfs/dbraw/zinc/35/07/66/608350766.db2.gz PFXQHPPCFPAZNC-ZDUSSCGKSA-N -1 3 392.416 0.338 20 30 GCEDHM C#CCN(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000823845361 608350768 /nfs/dbraw/zinc/35/07/68/608350768.db2.gz PFXQHPPCFPAZNC-ZDUSSCGKSA-N -1 3 392.416 0.338 20 30 GCEDHM N#C[C@@H]1CSCCN1CN1CC(=O)N(Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000826380600 608399642 /nfs/dbraw/zinc/39/96/42/608399642.db2.gz HDAGEEWDRKTSSC-CYBMUJFWSA-N -1 3 398.452 0.529 20 30 GCEDHM N#C[C@@H]1CSCCN1CN1CC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000826380600 608399644 /nfs/dbraw/zinc/39/96/44/608399644.db2.gz HDAGEEWDRKTSSC-CYBMUJFWSA-N -1 3 398.452 0.529 20 30 GCEDHM N#Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)o1 ZINC000826384778 608508004 /nfs/dbraw/zinc/50/80/04/608508004.db2.gz JKUVNOLXTBIOGN-UHFFFAOYSA-N -1 3 399.436 0.838 20 30 GCEDHM N#Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)o1 ZINC000826384778 608508006 /nfs/dbraw/zinc/50/80/06/608508006.db2.gz JKUVNOLXTBIOGN-UHFFFAOYSA-N -1 3 399.436 0.838 20 30 GCEDHM N#C[C@H]1CSCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000826380687 608564988 /nfs/dbraw/zinc/56/49/88/608564988.db2.gz JNXDVGKNGCUHRE-LBPRGKRZSA-N -1 3 381.425 0.716 20 30 GCEDHM N#C[C@H]1CSCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000826380687 608564990 /nfs/dbraw/zinc/56/49/90/608564990.db2.gz JNXDVGKNGCUHRE-LBPRGKRZSA-N -1 3 381.425 0.716 20 30 GCEDHM N#Cc1cc(CN2CCN(Cc3ccnc(-c4nnn[n-]4)c3)C[C@H](O)C2)ccn1 ZINC000826383759 608803560 /nfs/dbraw/zinc/80/35/60/608803560.db2.gz OXZVFVCYCATEIM-QGZVFWFLSA-N -1 3 391.439 0.207 20 30 GCEDHM N#CC1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCOCC1 ZINC000826380155 609136210 /nfs/dbraw/zinc/13/62/10/609136210.db2.gz PIBFSJAMESVANY-OAHLLOKOSA-N -1 3 395.423 0.799 20 30 GCEDHM N#CC1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCOCC1 ZINC000826380155 609136212 /nfs/dbraw/zinc/13/62/12/609136212.db2.gz PIBFSJAMESVANY-OAHLLOKOSA-N -1 3 395.423 0.799 20 30 GCEDHM N#Cc1ccc(N2CCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)nc1 ZINC000826385749 609209653 /nfs/dbraw/zinc/20/96/53/609209653.db2.gz YZGALDVTZXNCKC-QGZVFWFLSA-N -1 3 390.407 0.516 20 30 GCEDHM N#Cc1ccc(N2CCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)nc1 ZINC000826385749 609209654 /nfs/dbraw/zinc/20/96/54/609209654.db2.gz YZGALDVTZXNCKC-QGZVFWFLSA-N -1 3 390.407 0.516 20 30 GCEDHM CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825937431 609257012 /nfs/dbraw/zinc/25/70/12/609257012.db2.gz DITCLQHODSNOBZ-AWEZNQCLSA-N -1 3 381.400 0.168 20 30 GCEDHM CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825937431 609257013 /nfs/dbraw/zinc/25/70/13/609257013.db2.gz DITCLQHODSNOBZ-AWEZNQCLSA-N -1 3 381.400 0.168 20 30 GCEDHM C=C(C)CN(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000823873126 609349273 /nfs/dbraw/zinc/34/92/73/609349273.db2.gz JBSVHBILNIAQEE-UHFFFAOYSA-N -1 3 381.400 0.480 20 30 GCEDHM C=C(C)CN(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000823873126 609349275 /nfs/dbraw/zinc/34/92/75/609349275.db2.gz JBSVHBILNIAQEE-UHFFFAOYSA-N -1 3 381.400 0.480 20 30 GCEDHM C#CCN(CC)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000823845775 609354396 /nfs/dbraw/zinc/35/43/96/609354396.db2.gz XCJAMLORNFYUPK-UHFFFAOYSA-N -1 3 382.359 0.612 20 30 GCEDHM COc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1-n1cnnn1 ZINC000826187218 609387172 /nfs/dbraw/zinc/38/71/72/609387172.db2.gz GHYNFHPWMRVHQD-UHFFFAOYSA-N -1 3 388.351 0.975 20 30 GCEDHM COc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1-n1cnnn1 ZINC000826187218 609387173 /nfs/dbraw/zinc/38/71/73/609387173.db2.gz GHYNFHPWMRVHQD-UHFFFAOYSA-N -1 3 388.351 0.975 20 30 GCEDHM O=c1nc(C=N[O-])ccn1[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826477443 609433870 /nfs/dbraw/zinc/43/38/70/609433870.db2.gz DHYPRUUPJLCKHO-AWEZNQCLSA-N -1 3 380.368 0.600 20 30 GCEDHM CN(CCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(=O)c1c[nH]c(C#N)c1 ZINC000825918251 609446207 /nfs/dbraw/zinc/44/62/07/609446207.db2.gz CINKVJYOZMOYSK-UHFFFAOYSA-N -1 3 381.400 0.629 20 30 GCEDHM CN(CCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(=O)c1c[nH]c(C#N)c1 ZINC000825918251 609446209 /nfs/dbraw/zinc/44/62/09/609446209.db2.gz CINKVJYOZMOYSK-UHFFFAOYSA-N -1 3 381.400 0.629 20 30 GCEDHM CC(C)(CNC(=O)c1c[nH]c(C#N)c1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824158473 609458081 /nfs/dbraw/zinc/45/80/81/609458081.db2.gz XSKFSEXOLDPTHH-UHFFFAOYSA-N -1 3 381.400 0.581 20 30 GCEDHM CC(C)(CNC(=O)c1c[nH]c(C#N)c1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824158473 609458083 /nfs/dbraw/zinc/45/80/83/609458083.db2.gz XSKFSEXOLDPTHH-UHFFFAOYSA-N -1 3 381.400 0.581 20 30 GCEDHM C#CCN1CCN(C(=O)CNc2cc(-c3nn[n-]n3)ccc2OCCOC)CC1 ZINC000823850023 609482699 /nfs/dbraw/zinc/48/26/99/609482699.db2.gz HQKAOYKBSFMBLZ-UHFFFAOYSA-N -1 3 399.455 0.081 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CCN1C1CC1 ZINC000826381010 609545806 /nfs/dbraw/zinc/54/58/06/609545806.db2.gz UURNSSIKRXIJMW-LBPRGKRZSA-N -1 3 393.860 0.881 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CCN1C1CC1 ZINC000826381010 609545807 /nfs/dbraw/zinc/54/58/07/609545807.db2.gz UURNSSIKRXIJMW-LBPRGKRZSA-N -1 3 393.860 0.881 20 30 GCEDHM Cc1cc(C(=O)OCC(=O)NCCC#N)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260856 609625922 /nfs/dbraw/zinc/62/59/22/609625922.db2.gz HLPUPALWWLCMDW-UHFFFAOYSA-N -1 3 380.368 0.548 20 30 GCEDHM Cc1cc(C(=O)OCC(=O)NCCC#N)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260856 609625923 /nfs/dbraw/zinc/62/59/23/609625923.db2.gz HLPUPALWWLCMDW-UHFFFAOYSA-N -1 3 380.368 0.548 20 30 GCEDHM C#CCOCC[N-]S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br ZINC000907114866 639358109 /nfs/dbraw/zinc/35/81/09/639358109.db2.gz WQRRFJXOWXIYJG-UHFFFAOYSA-N -1 3 379.207 0.615 20 30 GCEDHM CS(=O)(=O)c1ccsc1NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000736167805 640040742 /nfs/dbraw/zinc/04/07/42/640040742.db2.gz UAHXPJQUJWGSQH-UHFFFAOYSA-N -1 3 399.475 0.829 20 30 GCEDHM CSC[C@](C)(O)CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742693397 640248822 /nfs/dbraw/zinc/24/88/22/640248822.db2.gz AUBGGEUYKODUNE-BDJLRTHQSA-N -1 3 385.511 0.734 20 30 GCEDHM C[C@H](CC(=O)OCCCS(C)(=O)=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745495297 640282239 /nfs/dbraw/zinc/28/22/39/640282239.db2.gz FURRRIIHSOXVCZ-LLVKDONJSA-N -1 3 388.467 0.482 20 30 GCEDHM C[C@H](CC(=O)NC[C@@]1(O)CCSC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000747427501 640311696 /nfs/dbraw/zinc/31/16/96/640311696.db2.gz MSIXIPOKPSZACQ-BZNIZROVSA-N -1 3 383.495 0.488 20 30 GCEDHM C[C@H](CC(=O)NC[C@@H](C)S(C)(=O)=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000754240210 640450185 /nfs/dbraw/zinc/45/01/85/640450185.db2.gz SGRIYTHJTNZCDO-GHMZBOCLSA-N -1 3 387.483 0.053 20 30 GCEDHM C[C@H](CC(=O)NCc1csc(=O)[nH]1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000760174198 640564982 /nfs/dbraw/zinc/56/49/82/640564982.db2.gz VIPDRPFIRIDWLR-SECBINFHSA-N -1 3 380.451 0.982 20 30 GCEDHM COCC#CCOC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000762806140 640615948 /nfs/dbraw/zinc/61/59/48/640615948.db2.gz IRRAMGLYQZDYIT-UHFFFAOYSA-N -1 3 382.257 0.982 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000783619024 641272382 /nfs/dbraw/zinc/27/23/82/641272382.db2.gz ZHIMSWJDEAELKX-UHFFFAOYSA-N -1 3 386.904 0.397 20 30 GCEDHM C=CCOCCC[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867514772 641349776 /nfs/dbraw/zinc/34/97/76/641349776.db2.gz FEEZBTOSCFDUHH-UHFFFAOYSA-N -1 3 385.227 0.896 20 30 GCEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)C(=O)OC ZINC000795401032 641517649 /nfs/dbraw/zinc/51/76/49/641517649.db2.gz IBAXVAOFXMCFIP-GFCCVEGCSA-N -1 3 375.374 0.635 20 30 GCEDHM C#C[C@@H]([N-]S(=O)(=O)c1cnn2cc(Br)cnc12)[C@H]1CCCO1 ZINC000882082709 641690526 /nfs/dbraw/zinc/69/05/26/641690526.db2.gz RBJJGPGTAFWLOS-GHMZBOCLSA-N -1 3 385.243 0.951 20 30 GCEDHM O=C(Cn1cnc2ccc(Br)cc2c1=O)N[C@@H]1CCCN([O-])C1=O ZINC000816757623 641864851 /nfs/dbraw/zinc/86/48/51/641864851.db2.gz XIBUNUSFMFXFJY-GFCCVEGCSA-N -1 3 395.213 0.655 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000820471111 641960710 /nfs/dbraw/zinc/96/07/10/641960710.db2.gz NJMXVEVHPGKKOK-CABZTGNLSA-N -1 3 375.834 0.503 20 30 GCEDHM C=CCS(=O)(=O)CCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000823932033 642031786 /nfs/dbraw/zinc/03/17/86/642031786.db2.gz LCJILPHFOLGQNI-UHFFFAOYSA-N -1 3 389.434 0.026 20 30 GCEDHM C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000831574800 642166504 /nfs/dbraw/zinc/16/65/04/642166504.db2.gz QTOFNFAAHVRMBN-UHFFFAOYSA-N -1 3 379.463 0.832 20 30 GCEDHM C#C[C@@H]([N-]S(=O)(=O)c1cnn(C)c1I)[C@@H]1CCCO1 ZINC000867125197 642230031 /nfs/dbraw/zinc/23/00/31/642230031.db2.gz URIPULGFPPFHFN-BDAKNGLRSA-N -1 3 395.222 0.484 20 30 GCEDHM CN(C)Cc1csc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000837263107 642268014 /nfs/dbraw/zinc/26/80/14/642268014.db2.gz CGPRVOCJGGYTMB-UHFFFAOYSA-N -1 3 379.467 0.882 20 30 GCEDHM C#CCC[C@H](O)C[N-]S(=O)(=O)c1c(C)nn2cc(Br)cnc12 ZINC000867227039 642268504 /nfs/dbraw/zinc/26/85/04/642268504.db2.gz UILKIQYVZITRJF-NSHDSACASA-N -1 3 387.259 0.853 20 30 GCEDHM C[C@H](CC(=O)N[C@@H]1CCCN([O-])C1=O)NS(=O)(=O)c1cccnc1Cl ZINC000848139600 642528710 /nfs/dbraw/zinc/52/87/10/642528710.db2.gz ZMWRKEUHVOTMJO-NXEZZACHSA-N -1 3 390.849 0.288 20 30 GCEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000848134571 642528770 /nfs/dbraw/zinc/52/87/70/642528770.db2.gz BEGKIRDLUWTYRW-JTQLQIEISA-N -1 3 384.190 0.792 20 30 GCEDHM C[C@H](CC(=O)N[C@H]1CCCN([O-])C1=O)NS(=O)(=O)c1cccnc1Cl ZINC000848139603 642528779 /nfs/dbraw/zinc/52/87/79/642528779.db2.gz ZMWRKEUHVOTMJO-ZJUUUORDSA-N -1 3 390.849 0.288 20 30 GCEDHM NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1Br ZINC000848135573 642528805 /nfs/dbraw/zinc/52/88/05/642528805.db2.gz OKQDFUGBPOPUID-SECBINFHSA-N -1 3 392.231 0.207 20 30 GCEDHM O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@H]1CCCN([O-])C1=O ZINC000848137259 642528832 /nfs/dbraw/zinc/52/88/32/642528832.db2.gz BRVLREVMSFXYSH-NSHDSACASA-N -1 3 396.252 0.768 20 30 GCEDHM C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000848960959 642584100 /nfs/dbraw/zinc/58/41/00/642584100.db2.gz MRWUUEZNDRZWOZ-GFCCVEGCSA-N -1 3 386.499 0.769 20 30 GCEDHM C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000848960960 642584239 /nfs/dbraw/zinc/58/42/39/642584239.db2.gz MRWUUEZNDRZWOZ-LBPRGKRZSA-N -1 3 386.499 0.769 20 30 GCEDHM C#CCCNS(=O)(=O)CCCS(=O)(=O)[N-]c1n[nH]cc1Br ZINC000848964839 642601068 /nfs/dbraw/zinc/60/10/68/642601068.db2.gz FDVOAUHNVBRDNZ-UHFFFAOYSA-N -1 3 399.292 0.247 20 30 GCEDHM C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1n[nH]cc1Br ZINC000848964928 642601503 /nfs/dbraw/zinc/60/15/03/642601503.db2.gz GSPXOIHFXVYHRG-QMMMGPOBSA-N -1 3 399.292 0.245 20 30 GCEDHM C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccnc1NC(C)=O ZINC000848965168 642602639 /nfs/dbraw/zinc/60/26/39/642602639.db2.gz KDBBINKQMSYONH-NSHDSACASA-N -1 3 388.471 0.113 20 30 GCEDHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br ZINC001211691672 1192274507 /nfs/dbraw/zinc/27/45/07/1192274507.db2.gz OUGJJUHYXJZGOX-ZETCQYMHSA-N -1 3 381.223 0.902 20 30 GCEDHM COC(=O)c1cnc(SCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[n-]1 ZINC000432673720 1192610940 /nfs/dbraw/zinc/61/09/40/1192610940.db2.gz YMYMAZWWTRPKST-UHFFFAOYSA-N -1 3 390.425 0.805 20 30 GCEDHM COC(=O)c1cn(C2CN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)nn1 ZINC000500556005 1192645365 /nfs/dbraw/zinc/64/53/65/1192645365.db2.gz PZVXTHZCUHAVTH-UHFFFAOYSA-N -1 3 384.396 0.670 20 30 GCEDHM Cn1c2ccc(NC(=O)C/N=C3/[N-]S(=O)(=O)c4ccccc43)cc2oc1=O ZINC000728186457 1184171829 /nfs/dbraw/zinc/17/18/29/1184171829.db2.gz QWKVRAXNFWXKTN-UHFFFAOYSA-N -1 3 386.389 0.809 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000890518740 1184174560 /nfs/dbraw/zinc/17/45/60/1184174560.db2.gz OLXBUDFHIXIQGI-NVXWUHKLSA-N -1 3 399.472 0.787 20 30 GCEDHM C#CCN(CC#CC)C(=O)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000784925009 1184224657 /nfs/dbraw/zinc/22/46/57/1184224657.db2.gz YYVDWNJZEXYWKS-UHFFFAOYSA-N -1 3 391.449 0.880 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000079293053 1185873394 /nfs/dbraw/zinc/87/33/94/1185873394.db2.gz ZUCHZQCJDYIEDK-UHFFFAOYSA-N -1 3 385.468 0.219 20 30 GCEDHM CN1CCN(C(=O)c2ccc(C[N-]S(=O)(=O)c3cccnc3C#N)cc2)CC1 ZINC000277112577 1186242261 /nfs/dbraw/zinc/24/22/61/1186242261.db2.gz YFDRCJKWVZZEMO-UHFFFAOYSA-N -1 3 399.476 0.819 20 30 GCEDHM Cc1nn(C)c(N2CCN(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)CC2)c1C#N ZINC000471996522 1186286771 /nfs/dbraw/zinc/28/67/71/1186286771.db2.gz ZJUMZPAKIPEWSR-UHFFFAOYSA-N -1 3 393.407 0.838 20 30 GCEDHM N#Cc1ccc(OCC(=O)NCC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)cc1 ZINC000051384172 1186372853 /nfs/dbraw/zinc/37/28/53/1186372853.db2.gz ZXPSHUPSOCBIME-UHFFFAOYSA-N -1 3 393.359 0.634 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2c2ncon2)ccc1F ZINC000375781216 1187162232 /nfs/dbraw/zinc/16/22/32/1187162232.db2.gz VCWMTSGKQAUOBX-CYBMUJFWSA-N -1 3 396.400 0.887 20 30 GCEDHM COC(=O)[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)Cc1ccc([O-])c(F)c1 ZINC000420643938 1194251388 /nfs/dbraw/zinc/25/13/88/1194251388.db2.gz YARXRXKPNNCGNW-NSHDSACASA-N -1 3 390.371 0.244 20 30 GCEDHM CS(=O)(=O)[N-]c1cncc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000502789867 1194356112 /nfs/dbraw/zinc/35/61/12/1194356112.db2.gz NBRDJEPTLRZUTA-UHFFFAOYSA-N -1 3 386.437 0.682 20 30 GCEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N2CCO[C@@H](C#N)C2)CCCC1 ZINC000469251594 1194868451 /nfs/dbraw/zinc/86/84/51/1194868451.db2.gz ZDIYLBXBSRSUKX-ZDUSSCGKSA-N -1 3 382.442 0.634 20 30 GCEDHM C#CCN1CC2(CN(C(=O)Cc3ccc([O-])c(Br)c3)C2)OCC1=O ZINC001270468126 1195302076 /nfs/dbraw/zinc/30/20/76/1195302076.db2.gz SJTVLAXXTGAFHH-UHFFFAOYSA-N -1 3 393.237 0.770 20 30 GCEDHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCC(=O)N[C@](C)(C#N)C(C)C ZINC000019610510 1195964010 /nfs/dbraw/zinc/96/40/10/1195964010.db2.gz UNZXEXWNMIWLHB-OAHLLOKOSA-N -1 3 386.430 0.167 20 30 GCEDHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCC(=O)Nc1ccc(C#N)cc1 ZINC000019610270 1195964100 /nfs/dbraw/zinc/96/41/00/1195964100.db2.gz PUNCBGJYLZLBJW-UHFFFAOYSA-N -1 3 392.393 0.623 20 30 GCEDHM COC(=O)Cc1nc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)n[n-]1 ZINC000522925336 1196366759 /nfs/dbraw/zinc/36/67/59/1196366759.db2.gz RKZKQHKTBMUQCE-UHFFFAOYSA-N -1 3 391.409 0.850 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@](C)(O)CN1CCOCC1 ZINC000467492768 1196525393 /nfs/dbraw/zinc/52/53/93/1196525393.db2.gz DIRLBNDBPZJIRK-LJQANCHMSA-N -1 3 376.457 0.408 20 30 GCEDHM Cn1cc(C(N)=O)cc1C([O-])=C(C#N)c1nc(N)nc(Nc2ccccc2)n1 ZINC000447239236 1196701622 /nfs/dbraw/zinc/70/16/22/1196701622.db2.gz ROXPWUXFCNZYSL-LBPRGKRZSA-N -1 3 376.380 0.547 20 30 GCEDHM Cc1nn(C)c(N2CCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)CC2)c1C#N ZINC000530363519 1196982318 /nfs/dbraw/zinc/98/23/18/1196982318.db2.gz YDFXLKRVNPWTTB-UHFFFAOYSA-N -1 3 378.392 0.446 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000172850473 1199406397 /nfs/dbraw/zinc/40/63/97/1199406397.db2.gz DAODJQLQSTVSPS-MRXNPFEDSA-N -1 3 396.451 0.841 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000172850481 1199406723 /nfs/dbraw/zinc/40/67/23/1199406723.db2.gz DAODJQLQSTVSPS-INIZCTEOSA-N -1 3 396.451 0.841 20 30 GCEDHM Cc1ncc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(=O)[n-]1 ZINC000543311961 1199650509 /nfs/dbraw/zinc/65/05/09/1199650509.db2.gz TYYVQRQJKJHVEA-SNVBAGLBSA-N -1 3 375.410 0.346 20 30 GCEDHM O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)C(=O)[N-]C3=O)C2 ZINC001004738887 1199921273 /nfs/dbraw/zinc/92/12/73/1199921273.db2.gz GNUHNADOAGDMAW-XYPHTWIQSA-N -1 3 377.400 0.845 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1OC ZINC000946820410 1200270586 /nfs/dbraw/zinc/27/05/86/1200270586.db2.gz VIBVSDMMEMQUGW-YIYPIFLZSA-N -1 3 376.413 0.037 20 30 GCEDHM N#CCNC(=O)COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000731241828 1201479130 /nfs/dbraw/zinc/47/91/30/1201479130.db2.gz HQJHIPCAICWUIJ-UHFFFAOYSA-N -1 3 380.357 0.751 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCCN2C(=O)CNC2=O)ccc1F ZINC000733437462 1201590624 /nfs/dbraw/zinc/59/06/24/1201590624.db2.gz JAAWAUCYAQAPCM-UHFFFAOYSA-N -1 3 399.400 0.389 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccn(CCC(N)=O)n2)ccc1F ZINC000735451751 1201688970 /nfs/dbraw/zinc/68/89/70/1201688970.db2.gz PLDWHCBLYJLVDY-UHFFFAOYSA-N -1 3 395.416 0.614 20 30 GCEDHM N#Cc1c(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)nc2n1CCS2 ZINC000735635627 1201696866 /nfs/dbraw/zinc/69/68/66/1201696866.db2.gz MARJHDJAVJPLKR-UHFFFAOYSA-N -1 3 388.434 0.538 20 30 GCEDHM COC(=O)CN(C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccccc1 ZINC000736035391 1201707696 /nfs/dbraw/zinc/70/76/96/1201707696.db2.gz MCRUAHXFUZYTRW-UHFFFAOYSA-N -1 3 387.417 0.931 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NC[C@@H](CO)Cc1ccccc1 ZINC000736194436 1201711832 /nfs/dbraw/zinc/71/18/32/1201711832.db2.gz CPZIPPJQWQVQID-HNNXBMFYSA-N -1 3 387.461 0.693 20 30 GCEDHM CC(=O)Nc1ccc(S(=O)(=O)CCCn2ccc(C=N[O-])nc2=O)cc1 ZINC000736306129 1201713614 /nfs/dbraw/zinc/71/36/14/1201713614.db2.gz BYKBBYFWMMDTDW-UHFFFAOYSA-N -1 3 378.410 0.874 20 30 GCEDHM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000740804745 1201750243 /nfs/dbraw/zinc/75/02/43/1201750243.db2.gz RRUPLLAAZWXSCJ-VXGBXAGGSA-N -1 3 399.494 0.197 20 30 GCEDHM C[C@H](CC(=O)NCCCC(=O)NC1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742546931 1201800539 /nfs/dbraw/zinc/80/05/39/1201800539.db2.gz KJFWHKZUASJYCM-GFCCVEGCSA-N -1 3 392.481 0.679 20 30 GCEDHM CCN(CCC(=O)OC)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742565861 1201802129 /nfs/dbraw/zinc/80/21/29/1201802129.db2.gz HNXFYPXBRKZYQU-GFCCVEGCSA-N -1 3 381.454 0.915 20 30 GCEDHM CC(=O)NC1CCN(C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000742602057 1201802556 /nfs/dbraw/zinc/80/25/56/1201802556.db2.gz LPZSQQCKEAUAQC-GFCCVEGCSA-N -1 3 392.481 0.631 20 30 GCEDHM C[C@H](CC(=O)N(C)CCN1CCOCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742618224 1201803089 /nfs/dbraw/zinc/80/30/89/1201803089.db2.gz BEXJVZLHWQATNL-CQSZACIVSA-N -1 3 394.497 0.294 20 30 GCEDHM CCN(CC(=O)N(C)C)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742637681 1201803932 /nfs/dbraw/zinc/80/39/32/1201803932.db2.gz BLWRILUQUFMSKG-LBPRGKRZSA-N -1 3 380.470 0.440 20 30 GCEDHM CNC(=O)[C@@H]1CCCN(C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000742659967 1201804274 /nfs/dbraw/zinc/80/42/74/1201804274.db2.gz RJKYBMGPMQTYCW-CHWSQXEVSA-N -1 3 392.481 0.488 20 30 GCEDHM C[C@H](CC(=O)NCCOC[C@H]1CCCO1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742680674 1201805413 /nfs/dbraw/zinc/80/54/13/1201805413.db2.gz VSZUZFUNBUNDEH-ZIAGYGMSSA-N -1 3 395.481 0.816 20 30 GCEDHM C[C@H](CC(=O)N(C)[C@H]1CCN(C)C1=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742695391 1201805749 /nfs/dbraw/zinc/80/57/49/1201805749.db2.gz UHDDUYSVAAMGFY-YPMHNXCESA-N -1 3 378.454 0.193 20 30 GCEDHM C[C@@H](CC(=O)Nc1nc(C(N)=O)cs1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742687030 1201805800 /nfs/dbraw/zinc/80/58/00/1201805800.db2.gz CMMNWUVTFHKNIC-QMMMGPOBSA-N -1 3 393.450 0.698 20 30 GCEDHM C[C@H](CC(=O)NCc1nnnn1C1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742850826 1201809352 /nfs/dbraw/zinc/80/93/52/1201809352.db2.gz LYUJMAHQMNTEPB-SNVBAGLBSA-N -1 3 389.441 0.142 20 30 GCEDHM C[C@@H](CC(=O)Nc1cc(C(N)=O)n(C)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743301314 1201816031 /nfs/dbraw/zinc/81/60/31/1201816031.db2.gz BWYSONXVNVPMRW-JTQLQIEISA-N -1 3 389.437 0.580 20 30 GCEDHM C[C@H](CC(=O)NC[C@H](O)c1ccco1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743305315 1201816297 /nfs/dbraw/zinc/81/62/97/1201816297.db2.gz WMTQFPUEPLMUDW-YPMHNXCESA-N -1 3 377.422 0.947 20 30 GCEDHM COC[C@](C)(O)CNC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743770150 1201823448 /nfs/dbraw/zinc/82/34/48/1201823448.db2.gz QFGLYCVQYNOCOJ-KBXCAEBGSA-N -1 3 397.497 0.653 20 30 GCEDHM COCC[C@](C)(O)CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743771607 1201823458 /nfs/dbraw/zinc/82/34/58/1201823458.db2.gz BCKWYOCWNYNYIJ-SJCJKPOMSA-N -1 3 383.470 0.407 20 30 GCEDHM C[C@H](CC(=O)O[C@H]1C(=O)OCC1(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744101889 1201835629 /nfs/dbraw/zinc/83/56/29/1201835629.db2.gz YZRJLVNONXZBDE-YGRLFVJLSA-N -1 3 380.422 0.999 20 30 GCEDHM CC#CCOC(=O)[C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000744543030 1201846719 /nfs/dbraw/zinc/84/67/19/1201846719.db2.gz QNZQBEXHVYPCSJ-DNXIFWLFSA-N -1 3 399.490 0.947 20 30 GCEDHM CC(C)(C)OC(=O)CCCNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744805109 1201855235 /nfs/dbraw/zinc/85/52/35/1201855235.db2.gz IKWIXOKFQPOTAO-UHFFFAOYSA-N -1 3 381.454 0.963 20 30 GCEDHM C[C@H](CC(=O)OCc1ccn(C)c(=O)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496358 1201879453 /nfs/dbraw/zinc/87/94/53/1201879453.db2.gz LSTMYDLABUFDOW-GFCCVEGCSA-N -1 3 389.433 0.946 20 30 GCEDHM C[C@@H](CC(=O)OCC(=O)N1CCCC1=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496727 1201879505 /nfs/dbraw/zinc/87/95/05/1201879505.db2.gz NUKPXITUAGHHSS-NSHDSACASA-N -1 3 393.421 0.196 20 30 GCEDHM C[C@H](CC(=O)NC[C@H]1CCCS1(=O)=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000766350152 1201917594 /nfs/dbraw/zinc/91/75/94/1201917594.db2.gz NCNJASVUFQAVKC-VXGBXAGGSA-N -1 3 399.494 0.197 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCn2cc([N+](=O)[O-])cn2)ccc1F ZINC000768585847 1202024425 /nfs/dbraw/zinc/02/44/25/1202024425.db2.gz LVVFFNLKINBVCR-UHFFFAOYSA-N -1 3 397.388 0.825 20 30 GCEDHM CCOC(=O)c1ccc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cn1 ZINC000768893732 1202037265 /nfs/dbraw/zinc/03/72/65/1202037265.db2.gz PUDBIPMHDCXXDW-UHFFFAOYSA-N -1 3 388.405 0.936 20 30 GCEDHM Cn1cnc([N+](=O)[O-])c1-c1noc(C/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000771390282 1202139482 /nfs/dbraw/zinc/13/94/82/1202139482.db2.gz KVUJOEGOKWLTNM-UHFFFAOYSA-N -1 3 389.353 0.617 20 30 GCEDHM C[C@H](CC(=O)N1CCC[C@H](OCCO)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000771785959 1202159736 /nfs/dbraw/zinc/15/97/36/1202159736.db2.gz WNBTXLPPSTUNOD-KGLIPLIRSA-N -1 3 395.481 0.504 20 30 GCEDHM CCN(C)C(=O)[C@H](C)NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000789874106 1205450252 /nfs/dbraw/zinc/45/02/52/1205450252.db2.gz AHLCTAOCHGKHIM-NEPJUHHUSA-N -1 3 380.470 0.487 20 30 GCEDHM Cc1cc(CNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n(C)n1 ZINC000791077739 1205473569 /nfs/dbraw/zinc/47/35/69/1205473569.db2.gz MEJINZKHIQALFB-NSHDSACASA-N -1 3 375.454 0.862 20 30 GCEDHM C[C@H](OC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)CCC#N ZINC000791259478 1205475484 /nfs/dbraw/zinc/47/54/84/1205475484.db2.gz LXLNNYNLYBLWIJ-NSHDSACASA-N -1 3 378.410 0.029 20 30 GCEDHM C[C@@H](OC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)CCC#N ZINC000791259477 1205475504 /nfs/dbraw/zinc/47/55/04/1205475504.db2.gz LXLNNYNLYBLWIJ-LLVKDONJSA-N -1 3 378.410 0.029 20 30 GCEDHM CCOC(=O)C1(CNC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CCCC1 ZINC000791828005 1205481157 /nfs/dbraw/zinc/48/11/57/1205481157.db2.gz SUCQJMVECIKWIR-UHFFFAOYSA-N -1 3 393.465 0.965 20 30 GCEDHM C[C@@H](CC(=O)NCC1(S(C)(=O)=O)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000793991523 1205510943 /nfs/dbraw/zinc/51/09/43/1205510943.db2.gz HWEJCUNWNAZPKH-NSHDSACASA-N -1 3 399.494 0.197 20 30 GCEDHM C[C@H](CC(=O)O[C@@H]1CC(=O)N(C)[C@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000806083464 1205549754 /nfs/dbraw/zinc/54/97/54/1205549754.db2.gz ZUPWYOLINFTWLH-NTZNESFSSA-N -1 3 379.438 0.666 20 30 GCEDHM CN(C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc([N+](=O)[O-])nc1 ZINC000808794213 1205612290 /nfs/dbraw/zinc/61/22/90/1205612290.db2.gz CWAQUJDSWZHBFQ-UHFFFAOYSA-N -1 3 375.366 0.691 20 30 GCEDHM CNC(=O)OC[C@@H]1CCCCN1C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000809265934 1205620759 /nfs/dbraw/zinc/62/07/59/1205620759.db2.gz GNRZZEAUSQDPOH-LBPRGKRZSA-N -1 3 394.453 0.462 20 30 GCEDHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCCNc1ccc(C#N)cn1 ZINC000810087085 1205633585 /nfs/dbraw/zinc/63/35/85/1205633585.db2.gz NBFGVULFOXVEFJ-UHFFFAOYSA-N -1 3 378.414 0.065 20 30 GCEDHM NC(=O)Cc1ccc(CNC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000810747585 1205641985 /nfs/dbraw/zinc/64/19/85/1205641985.db2.gz UEYJEKAHDOFLPL-UHFFFAOYSA-N -1 3 386.433 0.069 20 30 GCEDHM Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc([O-])cc(C#N)c3)CC2)o1 ZINC000811187547 1205648850 /nfs/dbraw/zinc/64/88/50/1205648850.db2.gz SPIWMGKTIITWOF-UHFFFAOYSA-N -1 3 395.375 0.938 20 30 GCEDHM N#Cc1ccc2c(c1)C[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c3ccccc31)C2 ZINC001132852892 1205653133 /nfs/dbraw/zinc/65/31/33/1205653133.db2.gz GWBLNLCFROVUDP-OAHLLOKOSA-N -1 3 380.429 0.880 20 30 GCEDHM COCC[C@@H]1COCCN1C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000812744163 1205668080 /nfs/dbraw/zinc/66/80/80/1205668080.db2.gz KBOQKRSBNOAQMU-UONOGXRCSA-N -1 3 395.481 0.768 20 30 GCEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H]1COCC[C@H]1O ZINC001174869520 1205732817 /nfs/dbraw/zinc/73/28/17/1205732817.db2.gz LATONCDINQAVOY-RBSFLKMASA-N -1 3 395.481 0.406 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCC[C@@H](c2ncon2)C1 ZINC001178364439 1205786426 /nfs/dbraw/zinc/78/64/26/1205786426.db2.gz WCSHIDPDMHBMTR-LLVKDONJSA-N -1 3 375.410 0.514 20 30 GCEDHM O=C(CN=C1[N-]S(=O)(=O)c2ccccc21)N1CCC([C@H]2COC(=O)N2)CC1 ZINC001179558526 1205812257 /nfs/dbraw/zinc/81/22/57/1205812257.db2.gz UXBCMXQNAYMMNQ-CYBMUJFWSA-N -1 3 392.437 0.072 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@](C)(O)C(=O)OCC)ccc1F ZINC000774019718 1205859915 /nfs/dbraw/zinc/85/99/15/1205859915.db2.gz ZNBGJZDCPUNKDR-MRXNPFEDSA-N -1 3 388.417 0.334 20 30 GCEDHM NS(=O)(=O)c1ccc(NN=C2C(=O)[N-]c3c2cc([N+](=O)[O-])cc3F)nc1 ZINC000774372382 1205870223 /nfs/dbraw/zinc/87/02/23/1205870223.db2.gz WTAYYXLYJRVVJR-UHFFFAOYSA-N -1 3 380.317 0.545 20 30 GCEDHM CCS(=O)(=O)N(C)CC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001184273059 1205906592 /nfs/dbraw/zinc/90/65/92/1205906592.db2.gz ODHARSSWHDSMAC-UHFFFAOYSA-N -1 3 383.426 0.172 20 30 GCEDHM C[C@@H](CC#N)N(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820443969 945451410 /nfs/dbraw/zinc/45/14/10/945451410.db2.gz CKBCGJPYOARODX-QWRGUYRKSA-N -1 3 377.430 0.294 20 30 GCEDHM C[C@@H](CC#N)N(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820443969 945451417 /nfs/dbraw/zinc/45/14/17/945451417.db2.gz CKBCGJPYOARODX-QWRGUYRKSA-N -1 3 377.430 0.294 20 30 GCEDHM Cc1cc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc(-c2nnn[n-]2)c1 ZINC001571278769 945759652 /nfs/dbraw/zinc/75/96/52/945759652.db2.gz BVNAHJKZZSCTFE-BLLLJJGKSA-N -1 3 387.425 0.577 20 30 GCEDHM Cc1cc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc(-c2nn[n-]n2)c1 ZINC001571278769 945759662 /nfs/dbraw/zinc/75/96/62/945759662.db2.gz BVNAHJKZZSCTFE-BLLLJJGKSA-N -1 3 387.425 0.577 20 30 GCEDHM CO[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571309820 946455865 /nfs/dbraw/zinc/45/58/65/946455865.db2.gz LSGLWZFQDXTNTO-IAGOWNOFSA-N -1 3 392.423 0.696 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823932093 946521637 /nfs/dbraw/zinc/52/16/37/946521637.db2.gz OHRYHOHRMIBRME-UHFFFAOYSA-N -1 3 398.832 0.176 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823932093 946521644 /nfs/dbraw/zinc/52/16/44/946521644.db2.gz OHRYHOHRMIBRME-UHFFFAOYSA-N -1 3 398.832 0.176 20 30 GCEDHM C[C@@H](C#N)CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824034393 946562086 /nfs/dbraw/zinc/56/20/86/946562086.db2.gz JCBXABGGJWHXDO-VIFPVBQESA-N -1 3 399.802 0.920 20 30 GCEDHM C[C@@H](C#N)CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824034393 946562097 /nfs/dbraw/zinc/56/20/97/946562097.db2.gz JCBXABGGJWHXDO-VIFPVBQESA-N -1 3 399.802 0.920 20 30 GCEDHM CC(C)(C#N)CCOC(=O)CNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000824058697 946572000 /nfs/dbraw/zinc/57/20/00/946572000.db2.gz ALKPZLORMRLYSK-UHFFFAOYSA-N -1 3 378.414 0.628 20 30 GCEDHM CC(C)(C#N)CCOC(=O)CNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000824058697 946572006 /nfs/dbraw/zinc/57/20/06/946572006.db2.gz ALKPZLORMRLYSK-UHFFFAOYSA-N -1 3 378.414 0.628 20 30 GCEDHM C#CCN(C(=O)[C@H](C)C#N)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573282089 946684426 /nfs/dbraw/zinc/68/44/26/946684426.db2.gz FQRWMPNHYNXEBF-GFCCVEGCSA-N -1 3 380.412 0.421 20 30 GCEDHM C#CCCCCCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001573282326 946690324 /nfs/dbraw/zinc/69/03/24/946690324.db2.gz IPLAVIURRMZTCU-HUUCEWRRSA-N -1 3 385.428 0.080 20 30 GCEDHM C#CCCCCCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001573282326 946690331 /nfs/dbraw/zinc/69/03/31/946690331.db2.gz IPLAVIURRMZTCU-HUUCEWRRSA-N -1 3 385.428 0.080 20 30 GCEDHM C#CCCCCC(=O)N(C)C[C@H](O)CN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573283050 946706992 /nfs/dbraw/zinc/70/69/92/946706992.db2.gz DPYHVLVTZRIQMK-AWEZNQCLSA-N -1 3 389.435 0.850 20 30 GCEDHM C#CCCCCC(=O)N(C)C[C@H](O)CN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573283050 946707000 /nfs/dbraw/zinc/70/70/00/946707000.db2.gz DPYHVLVTZRIQMK-AWEZNQCLSA-N -1 3 389.435 0.850 20 30 GCEDHM C#CCCCCC(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573283475 946716481 /nfs/dbraw/zinc/71/64/81/946716481.db2.gz ULABNSIIAMYOTC-UHFFFAOYSA-N -1 3 386.431 0.862 20 30 GCEDHM C#CCCCCC(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573283475 946716491 /nfs/dbraw/zinc/71/64/91/946716491.db2.gz ULABNSIIAMYOTC-UHFFFAOYSA-N -1 3 386.431 0.862 20 30 GCEDHM C#CCN(C(=O)c1cc(C)n[nH]1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573283586 946720854 /nfs/dbraw/zinc/72/08/54/946720854.db2.gz UCSDUKDMZYKUBG-UHFFFAOYSA-N -1 3 392.427 0.433 20 30 GCEDHM C#CCN(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCOCCCO ZINC001573283584 946720870 /nfs/dbraw/zinc/72/08/70/946720870.db2.gz UCNZCDXPMNIWNX-UHFFFAOYSA-N -1 3 382.428 0.594 20 30 GCEDHM C#CCN(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCOCCCO ZINC001573283584 946720876 /nfs/dbraw/zinc/72/08/76/946720876.db2.gz UCNZCDXPMNIWNX-UHFFFAOYSA-N -1 3 382.428 0.594 20 30 GCEDHM C#CCN(C(=O)C(F)F)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573283926 946730072 /nfs/dbraw/zinc/73/00/72/946730072.db2.gz XJEKABKMPLVALM-UHFFFAOYSA-N -1 3 377.355 0.526 20 30 GCEDHM C#CCN(C(=O)C(F)F)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573283926 946730084 /nfs/dbraw/zinc/73/00/84/946730084.db2.gz XJEKABKMPLVALM-UHFFFAOYSA-N -1 3 377.355 0.526 20 30 GCEDHM C#CCN(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[C@]1(C)CN(C)C1=O ZINC001573284032 946735831 /nfs/dbraw/zinc/73/58/31/946735831.db2.gz ZJJAGPNKDDGYEX-IBGZPJMESA-N -1 3 391.439 0.673 20 30 GCEDHM C#CCN(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C[C@]1(C)CN(C)C1=O ZINC001573284032 946735842 /nfs/dbraw/zinc/73/58/42/946735842.db2.gz ZJJAGPNKDDGYEX-IBGZPJMESA-N -1 3 391.439 0.673 20 30 GCEDHM C#CCCCC(=O)N(C)CCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573285017 946766091 /nfs/dbraw/zinc/76/60/91/946766091.db2.gz PZYSZKXEPMYIOP-UHFFFAOYSA-N -1 3 382.472 0.646 20 30 GCEDHM C#CCCCC(=O)N(C)CCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573285017 946766103 /nfs/dbraw/zinc/76/61/03/946766103.db2.gz PZYSZKXEPMYIOP-UHFFFAOYSA-N -1 3 382.472 0.646 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573285088 946767771 /nfs/dbraw/zinc/76/77/71/946767771.db2.gz CRZLPOMJJNZUGA-HIFRSBDPSA-N -1 3 381.444 0.061 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573285088 946767777 /nfs/dbraw/zinc/76/77/77/946767777.db2.gz CRZLPOMJJNZUGA-HIFRSBDPSA-N -1 3 381.444 0.061 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573285197 946771572 /nfs/dbraw/zinc/77/15/72/946771572.db2.gz DYKLPYSSDGMDJR-CABCVRRESA-N -1 3 383.456 0.975 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573285197 946771581 /nfs/dbraw/zinc/77/15/81/946771581.db2.gz DYKLPYSSDGMDJR-CABCVRRESA-N -1 3 383.456 0.975 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573286092 946794221 /nfs/dbraw/zinc/79/42/21/946794221.db2.gz TVHMAOZPTZNXRJ-NHYWBVRUSA-N -1 3 385.428 0.200 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573286092 946794225 /nfs/dbraw/zinc/79/42/25/946794225.db2.gz TVHMAOZPTZNXRJ-NHYWBVRUSA-N -1 3 385.428 0.200 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573286093 946794565 /nfs/dbraw/zinc/79/45/65/946794565.db2.gz TVHMAOZPTZNXRJ-XHDPSFHLSA-N -1 3 385.428 0.200 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573286093 946794576 /nfs/dbraw/zinc/79/45/76/946794576.db2.gz TVHMAOZPTZNXRJ-XHDPSFHLSA-N -1 3 385.428 0.200 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573286173 946796554 /nfs/dbraw/zinc/79/65/54/946796554.db2.gz VORCWHCDIBYGTG-WFASDCNBSA-N -1 3 383.460 0.369 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573286173 946796559 /nfs/dbraw/zinc/79/65/59/946796559.db2.gz VORCWHCDIBYGTG-WFASDCNBSA-N -1 3 383.460 0.369 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1C ZINC001573286167 946797459 /nfs/dbraw/zinc/79/74/59/946797459.db2.gz VLFJSVWYASIPAB-INMHGKMJSA-N -1 3 394.483 0.548 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1C ZINC001573286167 946797465 /nfs/dbraw/zinc/79/74/65/946797465.db2.gz VLFJSVWYASIPAB-INMHGKMJSA-N -1 3 394.483 0.548 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573286412 946805807 /nfs/dbraw/zinc/80/58/07/946805807.db2.gz AYEUZINNODDKNS-XNISGKROSA-N -1 3 381.440 0.834 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573286412 946805815 /nfs/dbraw/zinc/80/58/15/946805815.db2.gz AYEUZINNODDKNS-XNISGKROSA-N -1 3 381.440 0.834 20 30 GCEDHM C#CCO[C@H](C)C(=O)NCCC1=CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573286493 946808079 /nfs/dbraw/zinc/80/80/79/946808079.db2.gz CPJZDGWAQKDCKS-CQSZACIVSA-N -1 3 381.440 0.943 20 30 GCEDHM C#CCO[C@H](C)C(=O)NCCC1=CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573286493 946808094 /nfs/dbraw/zinc/80/80/94/946808094.db2.gz CPJZDGWAQKDCKS-CQSZACIVSA-N -1 3 381.440 0.943 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cc1 ZINC001573286855 946820851 /nfs/dbraw/zinc/82/08/51/946820851.db2.gz BUPJXAXQNIFGMV-HNNXBMFYSA-N -1 3 375.392 0.821 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cc1 ZINC001573286855 946820860 /nfs/dbraw/zinc/82/08/60/946820860.db2.gz BUPJXAXQNIFGMV-HNNXBMFYSA-N -1 3 375.392 0.821 20 30 GCEDHM C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573287042 946825233 /nfs/dbraw/zinc/82/52/33/946825233.db2.gz KTHZHOURULXMRS-BETUJISGSA-N -1 3 383.412 0.050 20 30 GCEDHM C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573287042 946825247 /nfs/dbraw/zinc/82/52/47/946825247.db2.gz KTHZHOURULXMRS-BETUJISGSA-N -1 3 383.412 0.050 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@@H](CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573287058 946825440 /nfs/dbraw/zinc/82/54/40/946825440.db2.gz LHRYSLLXNCXWDQ-ZDUSSCGKSA-N -1 3 385.428 0.155 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@@H](CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573287058 946825448 /nfs/dbraw/zinc/82/54/48/946825448.db2.gz LHRYSLLXNCXWDQ-ZDUSSCGKSA-N -1 3 385.428 0.155 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCC1 ZINC001573287073 946826432 /nfs/dbraw/zinc/82/64/32/946826432.db2.gz LNCQUPIJYNHASZ-LBPRGKRZSA-N -1 3 385.428 0.392 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCC1 ZINC001573287073 946826445 /nfs/dbraw/zinc/82/64/45/946826445.db2.gz LNCQUPIJYNHASZ-LBPRGKRZSA-N -1 3 385.428 0.392 20 30 GCEDHM C#Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)cc1 ZINC001573287096 946827676 /nfs/dbraw/zinc/82/76/76/946827676.db2.gz DZTKXRLCGMYMQO-UHFFFAOYSA-N -1 3 375.392 0.774 20 30 GCEDHM C#Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)cc1 ZINC001573287096 946827683 /nfs/dbraw/zinc/82/76/83/946827683.db2.gz DZTKXRLCGMYMQO-UHFFFAOYSA-N -1 3 375.392 0.774 20 30 GCEDHM C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573287372 946834777 /nfs/dbraw/zinc/83/47/77/946834777.db2.gz NGJMZKUAKMBNOJ-NEPJUHHUSA-N -1 3 389.847 0.896 20 30 GCEDHM C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573287372 946834782 /nfs/dbraw/zinc/83/47/82/946834782.db2.gz NGJMZKUAKMBNOJ-NEPJUHHUSA-N -1 3 389.847 0.896 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573287619 946843944 /nfs/dbraw/zinc/84/39/44/946843944.db2.gz OERGOVXLXZRLMR-JQWIXIFHSA-N -1 3 375.820 0.648 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573287619 946843954 /nfs/dbraw/zinc/84/39/54/946843954.db2.gz OERGOVXLXZRLMR-JQWIXIFHSA-N -1 3 375.820 0.648 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C)cn1 ZINC001573287787 946845931 /nfs/dbraw/zinc/84/59/31/946845931.db2.gz FMYRQISAAVXVLB-XHDPSFHLSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C)cn1 ZINC001573287787 946845944 /nfs/dbraw/zinc/84/59/44/946845944.db2.gz FMYRQISAAVXVLB-XHDPSFHLSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc1 ZINC001573287755 946846599 /nfs/dbraw/zinc/84/65/99/946846599.db2.gz KUQDQJVCMTXLLE-GHMZBOCLSA-N -1 3 378.396 0.508 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc1 ZINC001573287755 946846611 /nfs/dbraw/zinc/84/66/11/946846611.db2.gz KUQDQJVCMTXLLE-GHMZBOCLSA-N -1 3 378.396 0.508 20 30 GCEDHM C#CCOCCC(=O)Nc1c(-c2nnn[n-]2)cn(CCOC)c1C(=O)OCC ZINC001573287798 946846908 /nfs/dbraw/zinc/84/69/08/946846908.db2.gz FNYLMZCKLYDAIC-UHFFFAOYSA-N -1 3 390.400 0.470 20 30 GCEDHM C#CCOCCC(=O)Nc1c(-c2nn[n-]n2)cn(CCOC)c1C(=O)OCC ZINC001573287798 946846923 /nfs/dbraw/zinc/84/69/23/946846923.db2.gz FNYLMZCKLYDAIC-UHFFFAOYSA-N -1 3 390.400 0.470 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H]2C)nc1 ZINC001573288080 946854510 /nfs/dbraw/zinc/85/45/10/946854510.db2.gz MSYQBPKIYLDQKW-RISCZKNCSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)nc1 ZINC001573288080 946854522 /nfs/dbraw/zinc/85/45/22/946854522.db2.gz MSYQBPKIYLDQKW-RISCZKNCSA-N -1 3 390.407 0.604 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@H]1CN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573288033 946855652 /nfs/dbraw/zinc/85/56/52/946855652.db2.gz RQPFWIOWWMKQJC-AWEZNQCLSA-N -1 3 387.419 0.868 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@H]1CN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573288033 946855655 /nfs/dbraw/zinc/85/56/55/946855655.db2.gz RQPFWIOWWMKQJC-AWEZNQCLSA-N -1 3 387.419 0.868 20 30 GCEDHM C#Cc1ccc(C(=O)N2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)nc1 ZINC001573288128 946858844 /nfs/dbraw/zinc/85/88/44/946858844.db2.gz OHQBSXIBIFYZBE-UHFFFAOYSA-N -1 3 390.407 0.559 20 30 GCEDHM C#Cc1ccc(C(=O)N2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)nc1 ZINC001573288128 946858856 /nfs/dbraw/zinc/85/88/56/946858856.db2.gz OHQBSXIBIFYZBE-UHFFFAOYSA-N -1 3 390.407 0.559 20 30 GCEDHM C#CCO[C@H](C)C(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573288184 946862345 /nfs/dbraw/zinc/86/23/45/946862345.db2.gz SGXZMIQVCRNTLT-OCCSQVGLSA-N -1 3 387.419 0.914 20 30 GCEDHM C#CCO[C@H](C)C(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573288184 946862358 /nfs/dbraw/zinc/86/23/58/946862358.db2.gz SGXZMIQVCRNTLT-OCCSQVGLSA-N -1 3 387.419 0.914 20 30 GCEDHM C#CCOCCC(=O)N(C)C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573288199 946862706 /nfs/dbraw/zinc/86/27/06/946862706.db2.gz SNBDJJMUAHTPRH-CYBMUJFWSA-N -1 3 385.428 0.155 20 30 GCEDHM C#CCOCCC(=O)N(C)C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573288199 946862719 /nfs/dbraw/zinc/86/27/19/946862719.db2.gz SNBDJJMUAHTPRH-CYBMUJFWSA-N -1 3 385.428 0.155 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@H]2CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)nc1 ZINC001573288486 946867428 /nfs/dbraw/zinc/86/74/28/946867428.db2.gz QWXHDWYPMPLBGJ-ZDUSSCGKSA-N -1 3 390.407 0.558 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@H]2CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)nc1 ZINC001573288486 946867436 /nfs/dbraw/zinc/86/74/36/946867436.db2.gz QWXHDWYPMPLBGJ-ZDUSSCGKSA-N -1 3 390.407 0.558 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)C[C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc1 ZINC001573288583 946870990 /nfs/dbraw/zinc/87/09/90/946870990.db2.gz NAPUDRMVDONYGC-LLVKDONJSA-N -1 3 378.396 0.462 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)C[C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc1 ZINC001573288583 946871005 /nfs/dbraw/zinc/87/10/05/946871005.db2.gz NAPUDRMVDONYGC-LLVKDONJSA-N -1 3 378.396 0.462 20 30 GCEDHM C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc1 ZINC001573288918 946880236 /nfs/dbraw/zinc/88/02/36/946880236.db2.gz VIQYYXZONHDMFS-NSHDSACASA-N -1 3 378.396 0.510 20 30 GCEDHM C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc1 ZINC001573288918 946880245 /nfs/dbraw/zinc/88/02/45/946880245.db2.gz VIQYYXZONHDMFS-NSHDSACASA-N -1 3 378.396 0.510 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC1(C#N)CC1 ZINC000824640293 946880429 /nfs/dbraw/zinc/88/04/29/946880429.db2.gz FWJQECQSYQOQIK-SNVBAGLBSA-N -1 3 376.398 0.380 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC1(C#N)CC1 ZINC000824640293 946880446 /nfs/dbraw/zinc/88/04/46/946880446.db2.gz FWJQECQSYQOQIK-SNVBAGLBSA-N -1 3 376.398 0.380 20 30 GCEDHM C#Cc1ccc(C(=O)N2CCN(c3snc(C)c3-c3nnn[n-]3)CC2)nc1 ZINC001573288846 946880752 /nfs/dbraw/zinc/88/07/52/946880752.db2.gz UPPUAMYGUVRQKZ-UHFFFAOYSA-N -1 3 380.437 0.970 20 30 GCEDHM C#Cc1ccc(C(=O)N2CCC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001573289247 946881489 /nfs/dbraw/zinc/88/14/89/946881489.db2.gz XOZXKDHXYKRFJN-AWEZNQCLSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1ccc(C(=O)N2CCC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001573289247 946881502 /nfs/dbraw/zinc/88/15/02/946881502.db2.gz XOZXKDHXYKRFJN-AWEZNQCLSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1ccccc1CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573291138 946914894 /nfs/dbraw/zinc/91/48/94/946914894.db2.gz WXWLOJRQVQJXFG-IYBDPMFKSA-N -1 3 389.419 0.796 20 30 GCEDHM C#Cc1ccccc1CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573291138 946914906 /nfs/dbraw/zinc/91/49/06/946914906.db2.gz WXWLOJRQVQJXFG-IYBDPMFKSA-N -1 3 389.419 0.796 20 30 GCEDHM C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573561390 946962494 /nfs/dbraw/zinc/96/24/94/946962494.db2.gz KAINTHUTJXRVMH-ONGXEEELSA-N -1 3 378.824 0.330 20 30 GCEDHM C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573561390 946962508 /nfs/dbraw/zinc/96/25/08/946962508.db2.gz KAINTHUTJXRVMH-ONGXEEELSA-N -1 3 378.824 0.330 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1-c1nnn[n-]1)CCO2 ZINC001573563541 946982511 /nfs/dbraw/zinc/98/25/11/946982511.db2.gz AMENSVKZKZFCPI-SGTLLEGYSA-N -1 3 385.403 0.973 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1-c1nn[n-]n1)CCO2 ZINC001573563541 946982522 /nfs/dbraw/zinc/98/25/22/946982522.db2.gz AMENSVKZKZFCPI-SGTLLEGYSA-N -1 3 385.403 0.973 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573564482 946995056 /nfs/dbraw/zinc/99/50/56/946995056.db2.gz JDQJBVDNSRQEIH-KZULUSFZSA-N -1 3 382.428 0.809 20 30 GCEDHM C=C1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2O)CC1 ZINC001573295365 947016393 /nfs/dbraw/zinc/01/63/93/947016393.db2.gz DCCMPIQWPCPNIC-CABCVRRESA-N -1 3 385.428 0.243 20 30 GCEDHM C=C1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2O)CC1 ZINC001573295365 947016403 /nfs/dbraw/zinc/01/64/03/947016403.db2.gz DCCMPIQWPCPNIC-CABCVRRESA-N -1 3 385.428 0.243 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001573295432 947017871 /nfs/dbraw/zinc/01/78/71/947017871.db2.gz QYNIZPHPOQLJBM-ZOBUZTSGSA-N -1 3 399.455 0.564 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001573295432 947017883 /nfs/dbraw/zinc/01/78/83/947017883.db2.gz QYNIZPHPOQLJBM-ZOBUZTSGSA-N -1 3 399.455 0.564 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573565993 947019705 /nfs/dbraw/zinc/01/97/05/947019705.db2.gz YSTPNIOKQPWBTR-ONGXEEELSA-N -1 3 392.370 0.568 20 30 GCEDHM C=C(Cl)C(C)(C)C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573296139 947040604 /nfs/dbraw/zinc/04/06/04/947040604.db2.gz YWLIFAWRRQWQEE-SNVBAGLBSA-N -1 3 381.824 0.180 20 30 GCEDHM C=C(Cl)C(C)(C)C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573296139 947040617 /nfs/dbraw/zinc/04/06/17/947040617.db2.gz YWLIFAWRRQWQEE-SNVBAGLBSA-N -1 3 381.824 0.180 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC[C@H](N(CCO)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573567649 947051214 /nfs/dbraw/zinc/05/12/14/947051214.db2.gz PYFUTRZLHNDJFM-STQMWFEESA-N -1 3 387.419 0.955 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC[C@H](N(CCO)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573567649 947051220 /nfs/dbraw/zinc/05/12/20/947051220.db2.gz PYFUTRZLHNDJFM-STQMWFEESA-N -1 3 387.419 0.955 20 30 GCEDHM C=C(Cl)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCNC(=O)C1 ZINC001573297031 947059389 /nfs/dbraw/zinc/05/93/89/947059389.db2.gz CTRKEVBVMNJIJL-UHFFFAOYSA-N -1 3 385.819 0.814 20 30 GCEDHM C=C(Cl)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCNC(=O)C1 ZINC001573297031 947059400 /nfs/dbraw/zinc/05/94/00/947059400.db2.gz CTRKEVBVMNJIJL-UHFFFAOYSA-N -1 3 385.819 0.814 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC2(CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001573567974 947061517 /nfs/dbraw/zinc/06/15/17/947061517.db2.gz VVYKVBUQRDQRCY-GFCCVEGCSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC2(CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001573567974 947061529 /nfs/dbraw/zinc/06/15/29/947061529.db2.gz VVYKVBUQRDQRCY-GFCCVEGCSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@@]2(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCC[C@@H]12 ZINC001573569789 947077052 /nfs/dbraw/zinc/07/70/52/947077052.db2.gz FLRVPMLWOFHSOL-UCMVZMLTSA-N -1 3 382.428 0.855 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@@]2(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCC[C@@H]12 ZINC001573569789 947077065 /nfs/dbraw/zinc/07/70/65/947077065.db2.gz FLRVPMLWOFHSOL-UCMVZMLTSA-N -1 3 382.428 0.855 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCOC2(CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001573570176 947082828 /nfs/dbraw/zinc/08/28/28/947082828.db2.gz LQPVAMUVXKRWAY-GFCCVEGCSA-N -1 3 385.403 0.579 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCOC2(CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001573570176 947082838 /nfs/dbraw/zinc/08/28/38/947082838.db2.gz LQPVAMUVXKRWAY-GFCCVEGCSA-N -1 3 385.403 0.579 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001573570324 947085494 /nfs/dbraw/zinc/08/54/94/947085494.db2.gz MRBJVRQTSSHPFU-ZFWWWQNUSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001573570322 947085641 /nfs/dbraw/zinc/08/56/41/947085641.db2.gz MRBJVRQTSSHPFU-UKRRQHHQSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573570878 947097618 /nfs/dbraw/zinc/09/76/18/947097618.db2.gz WDIGMPPFPBOTIR-DIOULYMOSA-N -1 3 392.427 0.561 20 30 GCEDHM C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573570878 947097631 /nfs/dbraw/zinc/09/76/31/947097631.db2.gz WDIGMPPFPBOTIR-DIOULYMOSA-N -1 3 392.427 0.561 20 30 GCEDHM C=C(C)CCC(=O)N1CCO[C@H]([C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573300439 947111430 /nfs/dbraw/zinc/11/14/30/947111430.db2.gz QDAJVUJDCJJEGD-WFASDCNBSA-N -1 3 387.444 0.897 20 30 GCEDHM C=C(C)CCC(=O)N1CCO[C@H]([C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573300439 947111435 /nfs/dbraw/zinc/11/14/35/947111435.db2.gz QDAJVUJDCJJEGD-WFASDCNBSA-N -1 3 387.444 0.897 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573300881 947123830 /nfs/dbraw/zinc/12/38/30/947123830.db2.gz WFRYFCXZOFLFGX-DOMZBBRYSA-N -1 3 386.460 0.897 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573300881 947123836 /nfs/dbraw/zinc/12/38/36/947123836.db2.gz WFRYFCXZOFLFGX-DOMZBBRYSA-N -1 3 386.460 0.897 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573300868 947124064 /nfs/dbraw/zinc/12/40/64/947124064.db2.gz VVSSWJMHRIDIEM-BBRMVZONSA-N -1 3 384.444 0.428 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573300868 947124070 /nfs/dbraw/zinc/12/40/70/947124070.db2.gz VVSSWJMHRIDIEM-BBRMVZONSA-N -1 3 384.444 0.428 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573300869 947124530 /nfs/dbraw/zinc/12/45/30/947124530.db2.gz VVSSWJMHRIDIEM-CJNGLKHVSA-N -1 3 384.444 0.428 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573300869 947124540 /nfs/dbraw/zinc/12/45/40/947124540.db2.gz VVSSWJMHRIDIEM-CJNGLKHVSA-N -1 3 384.444 0.428 20 30 GCEDHM C=CC(C)(C)CC(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](OC)C1 ZINC001573305027 947147321 /nfs/dbraw/zinc/14/73/21/947147321.db2.gz LFNIPHMNAUXVNB-ZIAGYGMSSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CC(C)(C)CC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](OC)C1 ZINC001573305027 947147325 /nfs/dbraw/zinc/14/73/25/947147325.db2.gz LFNIPHMNAUXVNB-ZIAGYGMSSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CC(C)(C)CC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573305588 947157168 /nfs/dbraw/zinc/15/71/68/947157168.db2.gz SBEKMSANGQJAJP-CYBMUJFWSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CC(C)(C)CC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573305588 947157176 /nfs/dbraw/zinc/15/71/76/947157176.db2.gz SBEKMSANGQJAJP-CYBMUJFWSA-N -1 3 387.444 0.754 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@]1(C)CN(c2ncc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC001573577085 947159675 /nfs/dbraw/zinc/15/96/75/947159675.db2.gz LYHGZPLLJIEUTG-MGPLVRAMSA-N -1 3 390.835 0.786 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@]1(C)CN(c2ncc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC001573577085 947159682 /nfs/dbraw/zinc/15/96/82/947159682.db2.gz LYHGZPLLJIEUTG-MGPLVRAMSA-N -1 3 390.835 0.786 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573577198 947164664 /nfs/dbraw/zinc/16/46/64/947164664.db2.gz NFEXZJXGWPCNHS-RFAUZJTJSA-N -1 3 376.808 0.132 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573577198 947164666 /nfs/dbraw/zinc/16/46/66/947164666.db2.gz NFEXZJXGWPCNHS-RFAUZJTJSA-N -1 3 376.808 0.132 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H]1CCC2(CN(Cc3cccc(-c4nn[n-]n4)c3)C2)O1 ZINC001573577885 947175558 /nfs/dbraw/zinc/17/55/58/947175558.db2.gz UUIKXTWSTKZPRY-XJKSGUPXSA-N -1 3 381.440 0.876 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@H]1CCC2(CN(Cc3cccc(-c4nn[n-]n4)c3)C2)O1 ZINC001573577882 947176914 /nfs/dbraw/zinc/17/69/14/947176914.db2.gz UUIKXTWSTKZPRY-BBRMVZONSA-N -1 3 381.440 0.876 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573309092 947191402 /nfs/dbraw/zinc/19/14/02/947191402.db2.gz CLFIDNFKRVMLHY-QSUJAYFNSA-N -1 3 385.428 0.384 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573309092 947191407 /nfs/dbraw/zinc/19/14/07/947191407.db2.gz CLFIDNFKRVMLHY-QSUJAYFNSA-N -1 3 385.428 0.384 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC[C@@H]2C1 ZINC001573309266 947193217 /nfs/dbraw/zinc/19/32/17/947193217.db2.gz GECJALUZEYNWFK-QHRIQVFBSA-N -1 3 399.455 0.442 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC[C@@H]2C1 ZINC001573309266 947193228 /nfs/dbraw/zinc/19/32/28/947193228.db2.gz GECJALUZEYNWFK-QHRIQVFBSA-N -1 3 399.455 0.442 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573309209 947194587 /nfs/dbraw/zinc/19/45/87/947194587.db2.gz FBIVWMUQSNEPND-GUYCJALGSA-N -1 3 375.433 0.393 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573309209 947194592 /nfs/dbraw/zinc/19/45/92/947194592.db2.gz FBIVWMUQSNEPND-GUYCJALGSA-N -1 3 375.433 0.393 20 30 GCEDHM C=C[C@](C)(O)CC(=O)NC[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573309317 947196441 /nfs/dbraw/zinc/19/64/41/947196441.db2.gz GRXBQWTWNLLEOA-GUYCJALGSA-N -1 3 375.433 0.393 20 30 GCEDHM C=C[C@](C)(O)CC(=O)NC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573309317 947196447 /nfs/dbraw/zinc/19/64/47/947196447.db2.gz GRXBQWTWNLLEOA-GUYCJALGSA-N -1 3 375.433 0.393 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CC(C)C ZINC001573309447 947200317 /nfs/dbraw/zinc/20/03/17/947200317.db2.gz JAIDMUGBHXIZNH-SGTLLEGYSA-N -1 3 389.460 0.783 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CC(C)C ZINC001573309447 947200327 /nfs/dbraw/zinc/20/03/27/947200327.db2.gz JAIDMUGBHXIZNH-SGTLLEGYSA-N -1 3 389.460 0.783 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)C ZINC001573309451 947201374 /nfs/dbraw/zinc/20/13/74/947201374.db2.gz JARYPUZRRICCBN-SCLBCKFNSA-N -1 3 389.460 0.783 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)C ZINC001573309451 947201381 /nfs/dbraw/zinc/20/13/81/947201381.db2.gz JARYPUZRRICCBN-SCLBCKFNSA-N -1 3 389.460 0.783 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1(F)F ZINC001573583842 947210103 /nfs/dbraw/zinc/21/01/03/947210103.db2.gz PQBSVAAEOKMPRP-ONGXEEELSA-N -1 3 392.370 0.568 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1(F)F ZINC001573583842 947210114 /nfs/dbraw/zinc/21/01/14/947210114.db2.gz PQBSVAAEOKMPRP-ONGXEEELSA-N -1 3 392.370 0.568 20 30 GCEDHM C=C[C@@](C)(CCOC)C(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573309780 947210393 /nfs/dbraw/zinc/21/03/93/947210393.db2.gz OIRLPIBYAWVDJM-DIFFPNOSSA-N -1 3 375.433 0.658 20 30 GCEDHM C=C[C@@](C)(CCOC)C(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573309780 947210401 /nfs/dbraw/zinc/21/04/01/947210401.db2.gz OIRLPIBYAWVDJM-DIFFPNOSSA-N -1 3 375.433 0.658 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1(F)F ZINC001573583839 947211976 /nfs/dbraw/zinc/21/19/76/947211976.db2.gz PQBSVAAEOKMPRP-GXSJLCMTSA-N -1 3 392.370 0.568 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1(F)F ZINC001573583839 947211985 /nfs/dbraw/zinc/21/19/85/947211985.db2.gz PQBSVAAEOKMPRP-GXSJLCMTSA-N -1 3 392.370 0.568 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573310058 947214730 /nfs/dbraw/zinc/21/47/30/947214730.db2.gz RZONLSFUVZKKGR-QZTJIDSGSA-N -1 3 387.444 0.354 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573310058 947214742 /nfs/dbraw/zinc/21/47/42/947214742.db2.gz RZONLSFUVZKKGR-QZTJIDSGSA-N -1 3 387.444 0.354 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CCCO1 ZINC001573584289 947215422 /nfs/dbraw/zinc/21/54/22/947215422.db2.gz SQYJJRPWNGUHTO-GXTWGEPZSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@@H](C#N)C(=O)NCCN1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573584270 947215860 /nfs/dbraw/zinc/21/58/60/947215860.db2.gz SHISINLDCBQIKM-ZDUSSCGKSA-N -1 3 386.435 0.399 20 30 GCEDHM C[C@H](C#N)C(=O)NCc1cn(C2CN(Cc3ccccc3-c3nn[n-]n3)C2)nn1 ZINC001573585086 947242717 /nfs/dbraw/zinc/24/27/17/947242717.db2.gz KFUUTTABQHGUEF-GFCCVEGCSA-N -1 3 392.427 0.291 20 30 GCEDHM C=C[C@H](CC)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573315957 947262461 /nfs/dbraw/zinc/26/24/61/947262461.db2.gz RENZWCPCLZGVMP-CHWSQXEVSA-N -1 3 389.460 0.688 20 30 GCEDHM C=C[C@H](CC)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573315957 947262469 /nfs/dbraw/zinc/26/24/69/947262469.db2.gz RENZWCPCLZGVMP-CHWSQXEVSA-N -1 3 389.460 0.688 20 30 GCEDHM C[C@@H](C#N)C(=O)NCc1cn(C2CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC001573585718 947264632 /nfs/dbraw/zinc/26/46/32/947264632.db2.gz VPQRIEJLPVSEPQ-LBPRGKRZSA-N -1 3 392.427 0.291 20 30 GCEDHM C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573317314 947296719 /nfs/dbraw/zinc/29/67/19/947296719.db2.gz NLXMEBBHRRIDQQ-RYUDHWBXSA-N -1 3 375.433 0.204 20 30 GCEDHM C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573317314 947296726 /nfs/dbraw/zinc/29/67/26/947296726.db2.gz NLXMEBBHRRIDQQ-RYUDHWBXSA-N -1 3 375.433 0.204 20 30 GCEDHM C=CCC(C)(C)C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O ZINC001573319792 947336006 /nfs/dbraw/zinc/33/60/06/947336006.db2.gz RLIWDTVFTREXLX-CHWSQXEVSA-N -1 3 375.408 0.669 20 30 GCEDHM C=CCC(C)(C)C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001573319792 947336017 /nfs/dbraw/zinc/33/60/17/947336017.db2.gz RLIWDTVFTREXLX-CHWSQXEVSA-N -1 3 375.408 0.669 20 30 GCEDHM C=CCCC(=O)N1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001573329722 947425436 /nfs/dbraw/zinc/42/54/36/947425436.db2.gz NTYLULKNSISJJO-AWEZNQCLSA-N -1 3 383.460 0.346 20 30 GCEDHM C=CCCCC(=O)N1CC2(C1)CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCO2 ZINC001573335000 947469449 /nfs/dbraw/zinc/46/94/49/947469449.db2.gz UJRVVMILAWWRHF-UHFFFAOYSA-N -1 3 385.428 0.605 20 30 GCEDHM C=CCCCC(=O)N1CC2(C1)CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCO2 ZINC001573335000 947469460 /nfs/dbraw/zinc/46/94/60/947469460.db2.gz UJRVVMILAWWRHF-UHFFFAOYSA-N -1 3 385.428 0.605 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573335552 947483298 /nfs/dbraw/zinc/48/32/98/947483298.db2.gz AGPOMJYDKBHMSE-LALPHHSUSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573335552 947483307 /nfs/dbraw/zinc/48/33/07/947483307.db2.gz AGPOMJYDKBHMSE-LALPHHSUSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CCCCC(=O)NCCN1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573335772 947488463 /nfs/dbraw/zinc/48/84/63/947488463.db2.gz UOKMSROZEGARGK-UHFFFAOYSA-N -1 3 385.476 0.560 20 30 GCEDHM C=CCCOCC(=O)N1CC[C@@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573335886 947493146 /nfs/dbraw/zinc/49/31/46/947493146.db2.gz FRYHDJXCDCRBMI-SFHVURJKSA-N -1 3 387.444 0.756 20 30 GCEDHM C=CCCOCC(=O)N1CC[C@@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573335886 947493151 /nfs/dbraw/zinc/49/31/51/947493151.db2.gz FRYHDJXCDCRBMI-SFHVURJKSA-N -1 3 387.444 0.756 20 30 GCEDHM C=CCCOCC(=O)N(C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573336315 947503878 /nfs/dbraw/zinc/50/38/78/947503878.db2.gz MLJWUASGZUHDKL-CYBMUJFWSA-N -1 3 387.444 0.708 20 30 GCEDHM C=CCCOCC(=O)N(C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573336315 947503885 /nfs/dbraw/zinc/50/38/85/947503885.db2.gz MLJWUASGZUHDKL-CYBMUJFWSA-N -1 3 387.444 0.708 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573337114 947514690 /nfs/dbraw/zinc/51/46/90/947514690.db2.gz USCMRELFJDRMRV-GXTWGEPZSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573337114 947514701 /nfs/dbraw/zinc/51/47/01/947514701.db2.gz USCMRELFJDRMRV-GXTWGEPZSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCOCC(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573337591 947518027 /nfs/dbraw/zinc/51/80/27/947518027.db2.gz YLQPPIIZAGPXQJ-UHFFFAOYSA-N -1 3 387.444 0.302 20 30 GCEDHM C=CCCOCC(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573337591 947518036 /nfs/dbraw/zinc/51/80/36/947518036.db2.gz YLQPPIIZAGPXQJ-UHFFFAOYSA-N -1 3 387.444 0.302 20 30 GCEDHM C=CCOCC(=O)NC1CC2(C1)CC(NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001573342793 947547605 /nfs/dbraw/zinc/54/76/05/947547605.db2.gz DRDLRRMQKAKJBX-UHFFFAOYSA-N -1 3 385.428 0.555 20 30 GCEDHM C=CCOCC(=O)NC1CC2(C1)CC(NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001573342793 947547619 /nfs/dbraw/zinc/54/76/19/947547619.db2.gz DRDLRRMQKAKJBX-UHFFFAOYSA-N -1 3 385.428 0.555 20 30 GCEDHM C=CCn1cc(C(=O)N(C)[C@H](C)CNc2snc(C)c2-c2nnn[n-]2)nn1 ZINC001573347725 947576423 /nfs/dbraw/zinc/57/64/23/947576423.db2.gz GYIHZKBSCRDBOP-SECBINFHSA-N -1 3 388.461 0.982 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573350261 947593481 /nfs/dbraw/zinc/59/34/81/947593481.db2.gz BELAXUBYAOIIQJ-CDNVCLAFSA-N -1 3 385.428 0.507 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573350261 947593488 /nfs/dbraw/zinc/59/34/88/947593488.db2.gz BELAXUBYAOIIQJ-CDNVCLAFSA-N -1 3 385.428 0.507 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573350262 947594115 /nfs/dbraw/zinc/59/41/15/947594115.db2.gz BELAXUBYAOIIQJ-VZSAFFHGSA-N -1 3 385.428 0.507 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573350262 947594124 /nfs/dbraw/zinc/59/41/24/947594124.db2.gz BELAXUBYAOIIQJ-VZSAFFHGSA-N -1 3 385.428 0.507 20 30 GCEDHM CS(=O)(=O)NCC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826223276 947660370 /nfs/dbraw/zinc/66/03/70/947660370.db2.gz HJPABJHHXVUJAV-UHFFFAOYSA-N -1 3 385.453 0.910 20 30 GCEDHM CS(=O)(=O)NCC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826223276 947660375 /nfs/dbraw/zinc/66/03/75/947660375.db2.gz HJPABJHHXVUJAV-UHFFFAOYSA-N -1 3 385.453 0.910 20 30 GCEDHM CC#CCCCC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573358400 947661734 /nfs/dbraw/zinc/66/17/34/947661734.db2.gz JLXLJQWQHCGRAR-AWEZNQCLSA-N -1 3 385.428 0.346 20 30 GCEDHM CC#CCCCC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573358400 947661741 /nfs/dbraw/zinc/66/17/41/947661741.db2.gz JLXLJQWQHCGRAR-AWEZNQCLSA-N -1 3 385.428 0.346 20 30 GCEDHM CC#CCCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001573358536 947663993 /nfs/dbraw/zinc/66/39/93/947663993.db2.gz LOHJVTHPNOOPAC-DOMZBBRYSA-N -1 3 385.428 0.080 20 30 GCEDHM CC#CCCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001573358536 947663995 /nfs/dbraw/zinc/66/39/95/947663995.db2.gz LOHJVTHPNOOPAC-DOMZBBRYSA-N -1 3 385.428 0.080 20 30 GCEDHM CC#CCCCC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573358610 947666029 /nfs/dbraw/zinc/66/60/29/947666029.db2.gz NBFOJSBYDWELQC-CQSZACIVSA-N -1 3 385.428 0.346 20 30 GCEDHM CC#CCCCC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573358610 947666045 /nfs/dbraw/zinc/66/60/45/947666045.db2.gz NBFOJSBYDWELQC-CQSZACIVSA-N -1 3 385.428 0.346 20 30 GCEDHM Cc1ccc2c(c1)c(=O)n(C)c1nnc(Cn3cnc(C#N)c3-c3nnn[n-]3)n12 ZINC000826294372 947853951 /nfs/dbraw/zinc/85/39/51/947853951.db2.gz POILXCLJCYINFU-UHFFFAOYSA-N -1 3 387.367 0.186 20 30 GCEDHM C[C@@H](C(=O)N1CCO[C@@H](c2ccc(-c3nnn[n-]3)cc2)C1)n1cnc(C#N)n1 ZINC001573644173 947869669 /nfs/dbraw/zinc/86/96/69/947869669.db2.gz ZFQREBLXWWBZAL-SMDDNHRTSA-N -1 3 379.384 0.491 20 30 GCEDHM C[C@@H](C(=O)N1CCO[C@@H](c2ccc(-c3nn[n-]n3)cc2)C1)n1cnc(C#N)n1 ZINC001573644173 947869674 /nfs/dbraw/zinc/86/96/74/947869674.db2.gz ZFQREBLXWWBZAL-SMDDNHRTSA-N -1 3 379.384 0.491 20 30 GCEDHM N#Cc1cccc(NC(=O)COC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826387445 948190439 /nfs/dbraw/zinc/19/04/39/948190439.db2.gz VSBYCFQWSFSXFE-INIZCTEOSA-N -1 3 378.348 0.954 20 30 GCEDHM N#Cc1cccc(NC(=O)COC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826387445 948190446 /nfs/dbraw/zinc/19/04/46/948190446.db2.gz VSBYCFQWSFSXFE-INIZCTEOSA-N -1 3 378.348 0.954 20 30 GCEDHM CC1(Nc2nccnc2C#N)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575855811 949237321 /nfs/dbraw/zinc/23/73/21/949237321.db2.gz ACYHVIRAIKGNKC-UHFFFAOYSA-N -1 3 378.400 0.963 20 30 GCEDHM CC1(Nc2nccnc2C#N)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575855811 949237345 /nfs/dbraw/zinc/23/73/45/949237345.db2.gz ACYHVIRAIKGNKC-UHFFFAOYSA-N -1 3 378.400 0.963 20 30 GCEDHM CC(C)(C)C#CC(=O)N[C@]1(CO)CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573793514 949296202 /nfs/dbraw/zinc/29/62/02/949296202.db2.gz STDHZSZQLJIKCO-LJQANCHMSA-N -1 3 383.456 0.759 20 30 GCEDHM CC(C)(C)C#CC(=O)N[C@]1(CO)CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573793514 949296219 /nfs/dbraw/zinc/29/62/19/949296219.db2.gz STDHZSZQLJIKCO-LJQANCHMSA-N -1 3 383.456 0.759 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1c1cncc(C#N)n1 ZINC001575881778 949732224 /nfs/dbraw/zinc/73/22/24/949732224.db2.gz ATBBKBMHCOLZAV-MFKMUULPSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1c1cncc(C#N)n1 ZINC001575881778 949732237 /nfs/dbraw/zinc/73/22/37/949732237.db2.gz ATBBKBMHCOLZAV-MFKMUULPSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1c1cncc(C#N)n1 ZINC001575881779 949734224 /nfs/dbraw/zinc/73/42/24/949734224.db2.gz ATBBKBMHCOLZAV-ZWNOBZJWSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1c1cncc(C#N)n1 ZINC001575881779 949734233 /nfs/dbraw/zinc/73/42/33/949734233.db2.gz ATBBKBMHCOLZAV-ZWNOBZJWSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575885055 949861748 /nfs/dbraw/zinc/86/17/48/949861748.db2.gz KFRAOKAWNXAYHG-JOYOIKCWSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575885055 949861769 /nfs/dbraw/zinc/86/17/69/949861769.db2.gz KFRAOKAWNXAYHG-JOYOIKCWSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1c1cnc(C#N)cn1 ZINC001575886430 949880772 /nfs/dbraw/zinc/88/07/72/949880772.db2.gz MHAWBWHKSOATKL-ZWNOBZJWSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1c1cnc(C#N)cn1 ZINC001575886430 949880793 /nfs/dbraw/zinc/88/07/93/949880793.db2.gz MHAWBWHKSOATKL-ZWNOBZJWSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575887365 949905135 /nfs/dbraw/zinc/90/51/35/949905135.db2.gz OFTUZHXMXGWJBI-KOLCDFICSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575887365 949905151 /nfs/dbraw/zinc/90/51/51/949905151.db2.gz OFTUZHXMXGWJBI-KOLCDFICSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575890786 949962642 /nfs/dbraw/zinc/96/26/42/949962642.db2.gz ZXNNUMCZLOTTRL-CABZTGNLSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575890786 949962665 /nfs/dbraw/zinc/96/26/65/949962665.db2.gz ZXNNUMCZLOTTRL-CABZTGNLSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1c1ccnc(C#N)n1 ZINC001575892090 950049642 /nfs/dbraw/zinc/04/96/42/950049642.db2.gz RKXJEQXYEJCKQG-MNOVXSKESA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1c1ccnc(C#N)n1 ZINC001575892090 950049665 /nfs/dbraw/zinc/04/96/65/950049665.db2.gz RKXJEQXYEJCKQG-MNOVXSKESA-N -1 3 378.400 0.644 20 30 GCEDHM CC(C)C[C@H](CNc1ccnc(C#N)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574158298 950275367 /nfs/dbraw/zinc/27/53/67/950275367.db2.gz QKLNCHBEIGVHAO-LLVKDONJSA-N -1 3 380.416 0.535 20 30 GCEDHM CC(C)C[C@H](CNc1ccnc(C#N)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574158298 950275388 /nfs/dbraw/zinc/27/53/88/950275388.db2.gz QKLNCHBEIGVHAO-LLVKDONJSA-N -1 3 380.416 0.535 20 30 GCEDHM C[C@](CNc1cnc(C#N)cn1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575156276 952250696 /nfs/dbraw/zinc/25/06/96/952250696.db2.gz SAWYCKOETJOZIJ-QGZVFWFLSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@](CNc1cnc(C#N)cn1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575156276 952250705 /nfs/dbraw/zinc/25/07/05/952250705.db2.gz SAWYCKOETJOZIJ-QGZVFWFLSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@@](CNc1cnc(C#N)cn1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575156887 952257990 /nfs/dbraw/zinc/25/79/90/952257990.db2.gz XFILNUBLRMKRBL-KRWDZBQOSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@@](CNc1cnc(C#N)cn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575156887 952257994 /nfs/dbraw/zinc/25/79/94/952257994.db2.gz XFILNUBLRMKRBL-KRWDZBQOSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1cc2c(n(CC(=O)NCc3ccc(-c4nnn[n-]4)cc3)c1=O)CCC2 ZINC001571114300 952451965 /nfs/dbraw/zinc/45/19/65/952451965.db2.gz GEFXUGDGXSLYJS-UHFFFAOYSA-N -1 3 375.392 0.705 20 30 GCEDHM N#Cc1cc2c(n(CC(=O)NCc3ccc(-c4nn[n-]n4)cc3)c1=O)CCC2 ZINC001571114300 952451968 /nfs/dbraw/zinc/45/19/68/952451968.db2.gz GEFXUGDGXSLYJS-UHFFFAOYSA-N -1 3 375.392 0.705 20 30 GCEDHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1CNc1ccncc1C#N ZINC001571124578 952541620 /nfs/dbraw/zinc/54/16/20/952541620.db2.gz NQUKCBHVEYWVJE-SMDDNHRTSA-N -1 3 377.412 0.704 20 30 GCEDHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1CNc1ccncc1C#N ZINC001571124578 952541625 /nfs/dbraw/zinc/54/16/25/952541625.db2.gz NQUKCBHVEYWVJE-SMDDNHRTSA-N -1 3 377.412 0.704 20 30 GCEDHM C=C(Cl)CN1CCO[C@@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001571128554 952568548 /nfs/dbraw/zinc/56/85/48/952568548.db2.gz ULRUNAPARXOVHJ-INIZCTEOSA-N -1 3 377.836 0.864 20 30 GCEDHM C=C(Cl)CN1CCO[C@@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571128554 952568551 /nfs/dbraw/zinc/56/85/51/952568551.db2.gz ULRUNAPARXOVHJ-INIZCTEOSA-N -1 3 377.836 0.864 20 30 GCEDHM CCc1nc(C#N)cc(N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571135947 952610680 /nfs/dbraw/zinc/61/06/80/952610680.db2.gz IYPWDOLENNWXNY-NSHDSACASA-N -1 3 378.400 0.745 20 30 GCEDHM CCc1nc(C#N)cc(N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571135947 952610684 /nfs/dbraw/zinc/61/06/84/952610684.db2.gz IYPWDOLENNWXNY-NSHDSACASA-N -1 3 378.400 0.745 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1c1nccnc1C#N ZINC001571136084 952612256 /nfs/dbraw/zinc/61/22/56/952612256.db2.gz MCKILJAVVLXOSJ-MNOVXSKESA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1c1nccnc1C#N ZINC001571136084 952612259 /nfs/dbraw/zinc/61/22/59/952612259.db2.gz MCKILJAVVLXOSJ-MNOVXSKESA-N -1 3 378.400 0.644 20 30 GCEDHM N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)nn1 ZINC001571136430 952613573 /nfs/dbraw/zinc/61/35/73/952613573.db2.gz QEOWZJDYVVSDAC-GFCCVEGCSA-N -1 3 378.400 0.645 20 30 GCEDHM N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)nn1 ZINC001571136430 952613574 /nfs/dbraw/zinc/61/35/74/952613574.db2.gz QEOWZJDYVVSDAC-GFCCVEGCSA-N -1 3 378.400 0.645 20 30 GCEDHM N#Cc1ccc(N2CCC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)nn1 ZINC001571136431 952614329 /nfs/dbraw/zinc/61/43/29/952614329.db2.gz QEOWZJDYVVSDAC-LBPRGKRZSA-N -1 3 378.400 0.645 20 30 GCEDHM N#Cc1ccc(N2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)nn1 ZINC001571136431 952614333 /nfs/dbraw/zinc/61/43/33/952614333.db2.gz QEOWZJDYVVSDAC-LBPRGKRZSA-N -1 3 378.400 0.645 20 30 GCEDHM Cc1cc(C#N)nc(N[C@H]2C[C@H](C)N(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571136578 952614626 /nfs/dbraw/zinc/61/46/26/952614626.db2.gz RPKUWBZRYSRPEM-GWCFXTLKSA-N -1 3 378.400 0.880 20 30 GCEDHM Cc1cc(C#N)nc(N[C@H]2C[C@H](C)N(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571136578 952614629 /nfs/dbraw/zinc/61/46/29/952614629.db2.gz RPKUWBZRYSRPEM-GWCFXTLKSA-N -1 3 378.400 0.880 20 30 GCEDHM N#Cc1ccc(NC[C@H]2CCCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)nn1 ZINC001571136966 952616963 /nfs/dbraw/zinc/61/69/63/952616963.db2.gz YGQJTQLFZHMCOY-CYBMUJFWSA-N -1 3 378.400 0.963 20 30 GCEDHM N#Cc1ccc(NC[C@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)nn1 ZINC001571136966 952616966 /nfs/dbraw/zinc/61/69/66/952616966.db2.gz YGQJTQLFZHMCOY-CYBMUJFWSA-N -1 3 378.400 0.963 20 30 GCEDHM C[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1c1ccnc(C#N)n1 ZINC001571136843 952617321 /nfs/dbraw/zinc/61/73/21/952617321.db2.gz XXFHAIWOUXECSV-CMPLNLGQSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1c1ccnc(C#N)n1 ZINC001571136843 952617326 /nfs/dbraw/zinc/61/73/26/952617326.db2.gz XXFHAIWOUXECSV-CMPLNLGQSA-N -1 3 378.400 0.644 20 30 GCEDHM N#Cc1cncc(N2CCCC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001571136826 952617521 /nfs/dbraw/zinc/61/75/21/952617521.db2.gz XGWZQNGNWHVDDN-CYBMUJFWSA-N -1 3 378.400 0.645 20 30 GCEDHM N#Cc1cncc(N2CCCC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001571136826 952617523 /nfs/dbraw/zinc/61/75/23/952617523.db2.gz XGWZQNGNWHVDDN-CYBMUJFWSA-N -1 3 378.400 0.645 20 30 GCEDHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001571139404 952619997 /nfs/dbraw/zinc/61/99/97/952619997.db2.gz HCVOPOGGZCZUGU-VIFPVBQESA-N -1 3 379.384 0.285 20 30 GCEDHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001571139404 952620001 /nfs/dbraw/zinc/62/00/01/952620001.db2.gz HCVOPOGGZCZUGU-VIFPVBQESA-N -1 3 379.384 0.285 20 30 GCEDHM C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571139694 952622348 /nfs/dbraw/zinc/62/23/48/952622348.db2.gz KQVILKWDSHZEDT-SECBINFHSA-N -1 3 379.384 0.285 20 30 GCEDHM C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571139694 952622352 /nfs/dbraw/zinc/62/23/52/952622352.db2.gz KQVILKWDSHZEDT-SECBINFHSA-N -1 3 379.384 0.285 20 30 GCEDHM N#Cc1cnccc1N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571140004 952622575 /nfs/dbraw/zinc/62/25/75/952622575.db2.gz MWQDFVVTGLVFJB-ZDUSSCGKSA-N -1 3 379.384 0.097 20 30 GCEDHM N#Cc1cnccc1N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571140004 952622580 /nfs/dbraw/zinc/62/25/80/952622580.db2.gz MWQDFVVTGLVFJB-ZDUSSCGKSA-N -1 3 379.384 0.097 20 30 GCEDHM CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571140031 952623205 /nfs/dbraw/zinc/62/32/05/952623205.db2.gz NNCLQCATVBCONW-LBPRGKRZSA-N -1 3 379.384 0.381 20 30 GCEDHM CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571140031 952623208 /nfs/dbraw/zinc/62/32/08/952623208.db2.gz NNCLQCATVBCONW-LBPRGKRZSA-N -1 3 379.384 0.381 20 30 GCEDHM N#Cc1ccccc1OC[C@@H](O)CN1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001594631531 956343323 /nfs/dbraw/zinc/34/33/23/956343323.db2.gz DWZWCOHIWNMRHU-WBVHZDCISA-N -1 3 387.436 0.695 20 30 GCEDHM C=CCNC(=O)c1cccc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)c1 ZINC001329617295 969712904 /nfs/dbraw/zinc/71/29/04/969712904.db2.gz ZPNRWFAZZAWCQS-UHFFFAOYSA-N -1 3 381.454 0.430 20 30 GCEDHM C=CCOC[C@H](NCc1ccc(S(N)(=O)=O)c(Br)c1)C(=O)[O-] ZINC001588865912 984421190 /nfs/dbraw/zinc/42/11/90/984421190.db2.gz GCTKJFUECHOZIU-NSHDSACASA-N -1 3 393.259 0.842 20 30 GCEDHM C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N ZINC000571343725 530114997 /nfs/dbraw/zinc/11/49/97/530114997.db2.gz IUNIJSSSDRPUNU-RYUDHWBXSA-N -1 3 389.524 0.860 20 30 GCEDHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCn1cnc(C#N)n1 ZINC000285552080 530115225 /nfs/dbraw/zinc/11/52/25/530115225.db2.gz IWDSGSSKJQLLCQ-UHFFFAOYSA-N -1 3 386.231 0.899 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]CCS(=O)(=O)NCC2CCC2)c(F)c1 ZINC000558476805 530118519 /nfs/dbraw/zinc/11/85/19/530118519.db2.gz VMOODFIJQXFSRR-UHFFFAOYSA-N -1 3 375.447 0.695 20 30 GCEDHM C[C@@H](C#N)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000530891027 530166140 /nfs/dbraw/zinc/16/61/40/530166140.db2.gz JABWEIYTNHHXQW-VIFPVBQESA-N -1 3 385.389 0.965 20 30 GCEDHM N#CCN1CCC(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000609332796 530178299 /nfs/dbraw/zinc/17/82/99/530178299.db2.gz WDHPTIMPSLIAHP-UHFFFAOYSA-N -1 3 376.891 0.784 20 30 GCEDHM C=CCn1c(=O)[n-]nc1S(=O)(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000556414128 530183348 /nfs/dbraw/zinc/18/33/48/530183348.db2.gz USZWWDDJQVUQJJ-UHFFFAOYSA-N -1 3 386.455 0.394 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3Cl)C2=O)CCO1 ZINC000410114619 530235107 /nfs/dbraw/zinc/23/51/07/530235107.db2.gz BNFJQYJOIVWWHZ-WCQYABFASA-N -1 3 384.845 0.504 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)[N-][C@H](Cc2ccccc2)[C@@H](O)C(F)F)CCO1 ZINC000410131199 530235338 /nfs/dbraw/zinc/23/53/38/530235338.db2.gz PZKHBOCLFPNYGA-MGPQQGTHSA-N -1 3 375.397 0.282 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3Cl)C2=O)CCO1 ZINC000410114618 530235383 /nfs/dbraw/zinc/23/53/83/530235383.db2.gz BNFJQYJOIVWWHZ-DGCLKSJQSA-N -1 3 384.845 0.504 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C[C@H]1C[C@@H](O)C1 ZINC000600760254 530241903 /nfs/dbraw/zinc/24/19/03/530241903.db2.gz IBOHYRCIDFMBOM-RWMBFGLXSA-N -1 3 387.483 0.268 20 30 GCEDHM CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1C[C@H](OC)C1 ZINC000600762889 530242237 /nfs/dbraw/zinc/24/22/37/530242237.db2.gz ZSAJMPYZOBKNDN-JOCQHMNTSA-N -1 3 387.483 0.676 20 30 GCEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCS(=O)(=O)NCC1CCC1 ZINC000269694331 530245448 /nfs/dbraw/zinc/24/54/48/530245448.db2.gz XXHQUFFRQWRDEN-UHFFFAOYSA-N -1 3 375.447 0.695 20 30 GCEDHM CS(=O)(=O)N1CCC([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000400218364 530246833 /nfs/dbraw/zinc/24/68/33/530246833.db2.gz MNJAOAPVXIAXNK-UHFFFAOYSA-N -1 3 377.875 0.914 20 30 GCEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-][C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000285076407 530218541 /nfs/dbraw/zinc/21/85/41/530218541.db2.gz LOYZDUWINFMNQO-LBPRGKRZSA-N -1 3 399.416 0.967 20 30 GCEDHM CN1CCN(C)[C@@H](CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000329371507 530285940 /nfs/dbraw/zinc/28/59/40/530285940.db2.gz MGEJUTFMUFXRBJ-JTQLQIEISA-N -1 3 380.923 0.882 20 30 GCEDHM CSC1(CNC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)CCOCC1 ZINC000329636893 530292166 /nfs/dbraw/zinc/29/21/66/530292166.db2.gz YLNITADXLYBCCM-UHFFFAOYSA-N -1 3 376.504 0.876 20 30 GCEDHM CN(C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000287683904 530257713 /nfs/dbraw/zinc/25/77/13/530257713.db2.gz DXRZSENXBNIEKD-UHFFFAOYSA-N -1 3 375.248 0.870 20 30 GCEDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@@H](C)O ZINC000287972747 530258220 /nfs/dbraw/zinc/25/82/20/530258220.db2.gz YCFRZTHAPFEPPR-HQJQHLMTSA-N -1 3 377.216 0.521 20 30 GCEDHM CS(=O)(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000573256126 530297086 /nfs/dbraw/zinc/29/70/86/530297086.db2.gz AFJAZSNKELAKQX-SNVBAGLBSA-N -1 3 397.400 0.889 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]CCN2CCCS2(=O)=O)c(C(F)(F)F)c1 ZINC000142771556 530302234 /nfs/dbraw/zinc/30/22/34/530302234.db2.gz BTFBHIIWLIWDMP-UHFFFAOYSA-N -1 3 397.400 0.891 20 30 GCEDHM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N ZINC000580096114 530333828 /nfs/dbraw/zinc/33/38/28/530333828.db2.gz UBXUMLHCKKGDEM-CHWSQXEVSA-N -1 3 387.483 0.676 20 30 GCEDHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@](O)(CC#N)C2)cc1F ZINC000592077111 530412841 /nfs/dbraw/zinc/41/28/41/530412841.db2.gz BUEFFVNZDBHXSF-CYBMUJFWSA-N -1 3 377.419 0.236 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C2CCC1CC2 ZINC000594637895 530437608 /nfs/dbraw/zinc/43/76/08/530437608.db2.gz SICIVTFTTFZGDH-PIMMBPRGSA-N -1 3 375.516 0.945 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCC(C)(C)O ZINC000594632766 530434652 /nfs/dbraw/zinc/43/46/52/530434652.db2.gz IUXSEITWXGEIRA-NSHDSACASA-N -1 3 375.472 0.316 20 30 GCEDHM COC[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C#N ZINC000594633039 530434842 /nfs/dbraw/zinc/43/48/42/530434842.db2.gz LPHLNJCJUXLMPO-NEPJUHHUSA-N -1 3 375.472 0.532 20 30 GCEDHM C[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CC#N)CC#N)C1CC1 ZINC000594633449 530434947 /nfs/dbraw/zinc/43/49/47/530434947.db2.gz MBRJPESMOYKOMO-LBPRGKRZSA-N -1 3 382.467 0.801 20 30 GCEDHM CO[C@@H](C)[C@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000594633714 530435214 /nfs/dbraw/zinc/43/52/14/530435214.db2.gz BLSWCRFOWZHXPY-RYUDHWBXSA-N -1 3 389.499 0.969 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCOC1 ZINC000594633540 530435339 /nfs/dbraw/zinc/43/53/39/530435339.db2.gz QCWFYWFPJROFKP-STQMWFEESA-N -1 3 387.483 0.582 20 30 GCEDHM C[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N)C1(CO)CC1 ZINC000595958761 530450983 /nfs/dbraw/zinc/45/09/83/530450983.db2.gz HUISXQPXVUHMKU-LBPRGKRZSA-N -1 3 387.483 0.270 20 30 GCEDHM COCCNC(=O)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416379258 530507162 /nfs/dbraw/zinc/50/71/62/530507162.db2.gz VXSMDCJCMHIWQY-UHFFFAOYSA-N -1 3 376.232 0.362 20 30 GCEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC1(O)CCS(=O)(=O)CC1 ZINC000571543716 530507304 /nfs/dbraw/zinc/50/73/04/530507304.db2.gz VKUDOFIYQAPZQD-UHFFFAOYSA-N -1 3 378.859 0.430 20 30 GCEDHM CCS(=O)(=O)N1CCC(C[N-]S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000571860959 530508383 /nfs/dbraw/zinc/50/83/83/530508383.db2.gz VXTVRTHDGPUFFI-UHFFFAOYSA-N -1 3 377.513 0.960 20 30 GCEDHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1nc(C)c(SCC#N)s1 ZINC000531816238 530522898 /nfs/dbraw/zinc/52/28/98/530522898.db2.gz XTGKTQUSJPFFHI-UHFFFAOYSA-N -1 3 378.501 0.962 20 30 GCEDHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C#N ZINC000563429769 530525672 /nfs/dbraw/zinc/52/56/72/530525672.db2.gz BRJVKSADIXMZEN-XQQFMLRXSA-N -1 3 389.499 0.921 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CO[C@H](C)C1 ZINC000563429822 530525786 /nfs/dbraw/zinc/52/57/86/530525786.db2.gz FVUMRMRGXPLNNM-UPJWGTAASA-N -1 3 387.483 0.675 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1F ZINC000566487890 530530364 /nfs/dbraw/zinc/53/03/64/530530364.db2.gz OWHFVQORDOSYSL-NWDGAFQWSA-N -1 3 375.447 1.000 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@](C)(O)C1CC1 ZINC000566488611 530530782 /nfs/dbraw/zinc/53/07/82/530530782.db2.gz IZCNVVXQDRFNBJ-NHYWBVRUSA-N -1 3 387.483 0.316 20 30 GCEDHM C[C@@H](CO)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C(C)(C)C#N ZINC000566488054 530530793 /nfs/dbraw/zinc/53/07/93/530530793.db2.gz LUSZSFKNMVMPJF-NSHDSACASA-N -1 3 375.472 0.268 20 30 GCEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCCO1 ZINC000566690472 530533161 /nfs/dbraw/zinc/53/31/61/530533161.db2.gz SBGPJXDSKIXDFA-LBPRGKRZSA-N -1 3 387.483 0.724 20 30 GCEDHM C=CCC[C@@H]([N-]S(=O)(=O)N1CCC[C@@H](C(=O)OCC)C1)C(=O)OCC ZINC000566719952 530533689 /nfs/dbraw/zinc/53/36/89/530533689.db2.gz HSJRKMXQIADEAT-ZIAGYGMSSA-N -1 3 376.475 0.994 20 30 GCEDHM CN(C1CCN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)CC1)S(C)(=O)=O ZINC000331128159 530540379 /nfs/dbraw/zinc/54/03/79/530540379.db2.gz AAFLYSDLAJFGFE-UHFFFAOYSA-N -1 3 384.384 0.593 20 30 GCEDHM CN(C1CCN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)CC1)S(C)(=O)=O ZINC000331128159 530540382 /nfs/dbraw/zinc/54/03/82/530540382.db2.gz AAFLYSDLAJFGFE-UHFFFAOYSA-N -1 3 384.384 0.593 20 30 GCEDHM CN(C1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1)S(C)(=O)=O ZINC000331128159 530540384 /nfs/dbraw/zinc/54/03/84/530540384.db2.gz AAFLYSDLAJFGFE-UHFFFAOYSA-N -1 3 384.384 0.593 20 30 GCEDHM C=CCn1cc(CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)nn1 ZINC000424909287 530555130 /nfs/dbraw/zinc/55/51/30/530555130.db2.gz SUAJDLDFKFMWAQ-UHFFFAOYSA-N -1 3 375.863 0.774 20 30 GCEDHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CC[C@H](C#N)C2)s1 ZINC000424966243 530556131 /nfs/dbraw/zinc/55/61/31/530556131.db2.gz MAURNCAHTZOCOC-NWDGAFQWSA-N -1 3 384.483 0.471 20 30 GCEDHM CC(C)[C@@H](O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000568254412 530556271 /nfs/dbraw/zinc/55/62/71/530556271.db2.gz OWCBNEBVKKMFHJ-LBPRGKRZSA-N -1 3 389.499 0.562 20 30 GCEDHM CC(C)[C@H](O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000568254411 530556364 /nfs/dbraw/zinc/55/63/64/530556364.db2.gz OWCBNEBVKKMFHJ-GFCCVEGCSA-N -1 3 389.499 0.562 20 30 GCEDHM CC[C@@H](CO)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C#N ZINC000568255214 530556449 /nfs/dbraw/zinc/55/64/49/530556449.db2.gz QTFSZCBNBMTEBN-RYUDHWBXSA-N -1 3 375.472 0.268 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCCO1 ZINC000568256016 530556478 /nfs/dbraw/zinc/55/64/78/530556478.db2.gz WVAJNOYMBISMQV-OLZOCXBDSA-N -1 3 387.483 0.676 20 30 GCEDHM CCN([C@H](C)CO)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000568255161 530556509 /nfs/dbraw/zinc/55/65/09/530556509.db2.gz MNQPALWGNHNEKT-GFCCVEGCSA-N -1 3 389.499 0.658 20 30 GCEDHM C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C)C1=O ZINC000282709533 530559837 /nfs/dbraw/zinc/55/98/37/530559837.db2.gz YLLKMTAOBDOMKX-GFCCVEGCSA-N -1 3 387.483 0.002 20 30 GCEDHM O=C(NCC#CCO)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000283740610 530560186 /nfs/dbraw/zinc/56/01/86/530560186.db2.gz OYRVJMUNIXVRAA-ZDUSSCGKSA-N -1 3 386.857 0.523 20 30 GCEDHM C=C[C@@H](CO)[N-]S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C ZINC000290225430 530564244 /nfs/dbraw/zinc/56/42/44/530564244.db2.gz PDIPCXKMXIQPFY-QMMMGPOBSA-N -1 3 390.259 0.465 20 30 GCEDHM C=CCOc1cccc(NC(=O)C[N-]S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000290203993 530564312 /nfs/dbraw/zinc/56/43/12/530564312.db2.gz ROZONMGLGNDSHT-AWEZNQCLSA-N -1 3 388.467 0.296 20 30 GCEDHM CCS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000438886590 530571587 /nfs/dbraw/zinc/57/15/87/530571587.db2.gz NMXLGBLXAHEEEJ-UHFFFAOYSA-N -1 3 377.875 0.771 20 30 GCEDHM C[C@H]1COCC[C@H]1CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000519181780 530589908 /nfs/dbraw/zinc/58/99/08/530589908.db2.gz QGTNWFMLFYKJAX-STQMWFEESA-N -1 3 387.483 0.439 20 30 GCEDHM CC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1)[C@H](C)O ZINC000519710822 530599971 /nfs/dbraw/zinc/59/99/71/530599971.db2.gz NJLFVJILKOWQRT-RYUDHWBXSA-N -1 3 387.483 0.459 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)CN(C)C ZINC000575935446 530603775 /nfs/dbraw/zinc/60/37/75/530603775.db2.gz UBHHVAXUQGAGAN-QWHCGFSZSA-N -1 3 388.515 0.448 20 30 GCEDHM C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000329595516 530615501 /nfs/dbraw/zinc/61/55/01/530615501.db2.gz VLXRDQNQRCFTSS-POYBYMJQSA-N -1 3 380.220 0.101 20 30 GCEDHM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)C1 ZINC000329123766 530606890 /nfs/dbraw/zinc/60/68/90/530606890.db2.gz LODHRYNLXFIBFN-JTQLQIEISA-N -1 3 386.865 0.978 20 30 GCEDHM CC(C)(O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CC#N)C1CC1 ZINC000576359308 530607647 /nfs/dbraw/zinc/60/76/47/530607647.db2.gz GMZQZQYBAJENDG-UHFFFAOYSA-N -1 3 387.483 0.412 20 30 GCEDHM C[C@@H](O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000576768429 530612437 /nfs/dbraw/zinc/61/24/37/530612437.db2.gz SHAZUEOQAHNEIO-BXUZGUMPSA-N -1 3 389.499 0.562 20 30 GCEDHM CC(C)(C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H](O)C(F)F ZINC000576768451 530612455 /nfs/dbraw/zinc/61/24/55/530612455.db2.gz SWLLOMNFAOMUAK-VIFPVBQESA-N -1 3 397.425 0.171 20 30 GCEDHM CO[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-][C@@H](C)C#N)C1 ZINC000576887592 530613555 /nfs/dbraw/zinc/61/35/55/530613555.db2.gz KIPCWVXYIZBHSS-RWMBFGLXSA-N -1 3 387.483 0.723 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000573982073 530585374 /nfs/dbraw/zinc/58/53/74/530585374.db2.gz FDRJFXWCTXLVBF-WFASDCNBSA-N -1 3 385.467 0.334 20 30 GCEDHM CCN([C@H](C)CO)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000349447651 530635902 /nfs/dbraw/zinc/63/59/02/530635902.db2.gz IQXBEIMDECDULA-NWDGAFQWSA-N -1 3 375.472 0.268 20 30 GCEDHM C[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349447015 530636124 /nfs/dbraw/zinc/63/61/24/530636124.db2.gz IDQSRLAWTFBPAP-RYUDHWBXSA-N -1 3 385.467 0.165 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C[C@@H](C)O ZINC000349461838 530640328 /nfs/dbraw/zinc/64/03/28/530640328.db2.gz XJDWJYPRTLFDON-CHWSQXEVSA-N -1 3 389.499 0.514 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C[C@@H]1CCOC1 ZINC000349464124 530641413 /nfs/dbraw/zinc/64/14/13/530641413.db2.gz BMGIPODNGGSLMK-STQMWFEESA-N -1 3 387.483 0.534 20 30 GCEDHM CC1=CCCN(S(=O)(=O)CCCS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)C1 ZINC000349465002 530641506 /nfs/dbraw/zinc/64/15/06/530641506.db2.gz XMYPUBKXUSYYII-HNNXBMFYSA-N -1 3 375.516 0.970 20 30 GCEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000349467762 530642651 /nfs/dbraw/zinc/64/26/51/530642651.db2.gz NZGIMMYDXOLRBJ-TUAOUCFPSA-N -1 3 387.474 0.556 20 30 GCEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000349467755 530642955 /nfs/dbraw/zinc/64/29/55/530642955.db2.gz NZGIMMYDXOLRBJ-GRYCIOLGSA-N -1 3 387.474 0.556 20 30 GCEDHM CN(CCO)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000349471985 530645503 /nfs/dbraw/zinc/64/55/03/530645503.db2.gz PDJLNYMPQVWDLJ-AWEZNQCLSA-N -1 3 389.499 0.516 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H]1CCC[C@H]1O ZINC000349477679 530647306 /nfs/dbraw/zinc/64/73/06/530647306.db2.gz FSMMSSYFYQFQKA-YNEHKIRRSA-N -1 3 387.483 0.411 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@](C)(O)CC1 ZINC000349478808 530648462 /nfs/dbraw/zinc/64/84/62/530648462.db2.gz SPGFUAGJTMZNNP-LSDHHAIUSA-N -1 3 395.547 0.411 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H]1CCO ZINC000349479416 530648700 /nfs/dbraw/zinc/64/87/00/530648700.db2.gz JCWHFXMYHDSDQP-STQMWFEESA-N -1 3 387.483 0.412 20 30 GCEDHM C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C[C@H](C)N1C ZINC000349481916 530651004 /nfs/dbraw/zinc/65/10/04/530651004.db2.gz PFHXSRXRNGNBFT-BETUJISGSA-N -1 3 386.499 0.202 20 30 GCEDHM C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000349496303 530657684 /nfs/dbraw/zinc/65/76/84/530657684.db2.gz GXKPWHGGHSZTOP-GXTWGEPZSA-N -1 3 395.572 0.755 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@]1(C)CO ZINC000349496531 530657900 /nfs/dbraw/zinc/65/79/00/530657900.db2.gz PHMQORDMFVXZHN-HUUCEWRRSA-N -1 3 393.531 0.165 20 30 GCEDHM COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]C2(C#N)CCCCC2)C1 ZINC000349501432 530660321 /nfs/dbraw/zinc/66/03/21/530660321.db2.gz IBESPCJXVDFYNZ-UHFFFAOYSA-N -1 3 379.504 0.183 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCS[C@H](C)[C@H]1C ZINC000349514639 530667924 /nfs/dbraw/zinc/66/79/24/530667924.db2.gz VMZTYQPSGACRGO-MGPQQGTHSA-N -1 3 397.588 1.000 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCS[C@@H](C)[C@H]1C ZINC000349514641 530668217 /nfs/dbraw/zinc/66/82/17/530668217.db2.gz VMZTYQPSGACRGO-RDBSUJKOSA-N -1 3 397.588 1.000 20 30 GCEDHM CN(C1CCOCC1)S(=O)(=O)CCCS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000349516546 530669378 /nfs/dbraw/zinc/66/93/78/530669378.db2.gz JJYUGPGFHUOAMU-OAHLLOKOSA-N -1 3 393.531 0.429 20 30 GCEDHM N#C[C@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000532792457 530673646 /nfs/dbraw/zinc/67/36/46/530673646.db2.gz DVFDFQNGSSHBBY-VIFPVBQESA-N -1 3 378.863 0.614 20 30 GCEDHM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-][C@@H](C#N)C(C)(C)C)CCCO1 ZINC000349527382 530673812 /nfs/dbraw/zinc/67/38/12/530673812.db2.gz VTSIPPFCAUTJHG-KGLIPLIRSA-N -1 3 395.547 0.675 20 30 GCEDHM COC1(C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]C2(C#N)CCCCC2)C1 ZINC000349528471 530674074 /nfs/dbraw/zinc/67/40/74/530674074.db2.gz TZAAPAFDIJQWNJ-UHFFFAOYSA-N -1 3 393.531 0.573 20 30 GCEDHM CN1CCCN(S(=O)(=O)CCCS(=O)(=O)[N-][C@@H](C#N)C(C)(C)C)CC1 ZINC000349535264 530678184 /nfs/dbraw/zinc/67/81/84/530678184.db2.gz IUYQIQKLUQZZTM-AWEZNQCLSA-N -1 3 394.563 0.201 20 30 GCEDHM N#CC1(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2cncc(F)c2)CCC1 ZINC000349548754 530686554 /nfs/dbraw/zinc/68/65/54/530686554.db2.gz XGFANFZSCZDJKA-UHFFFAOYSA-N -1 3 390.462 0.966 20 30 GCEDHM C=CCn1c(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n[n-]c1=O ZINC000470836929 530697054 /nfs/dbraw/zinc/69/70/54/530697054.db2.gz RJJZEOGCIDXDGE-SECBINFHSA-N -1 3 383.455 0.936 20 30 GCEDHM C[C@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1Cl ZINC000349579578 530703285 /nfs/dbraw/zinc/70/32/85/530703285.db2.gz YQPXMLPZKYFENA-SNVBAGLBSA-N -1 3 380.879 0.946 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000349606230 530717040 /nfs/dbraw/zinc/71/70/40/530717040.db2.gz JGDZWGMZXGTGOK-MBNYWOFBSA-N -1 3 399.485 0.700 20 30 GCEDHM CC[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N)[C@@H](C)O ZINC000579376256 530742291 /nfs/dbraw/zinc/74/22/91/530742291.db2.gz KJYJXGLDGVJFBT-NEPJUHHUSA-N -1 3 375.472 0.268 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@@H](O)C1(C)C ZINC000578549773 530732951 /nfs/dbraw/zinc/73/29/51/530732951.db2.gz ZIKWPUGSOKLXSR-ZIAGYGMSSA-N -1 3 387.483 0.268 20 30 GCEDHM C[C@H](O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000581261546 530756131 /nfs/dbraw/zinc/75/61/31/530756131.db2.gz SHAZUEOQAHNEIO-SMDDNHRTSA-N -1 3 389.499 0.562 20 30 GCEDHM CC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N)[C@H](C)O ZINC000581834898 530763549 /nfs/dbraw/zinc/76/35/49/530763549.db2.gz DULYHWZPOMIOOA-SDDRHHMPSA-N -1 3 375.472 0.315 20 30 GCEDHM C=CCOC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OC ZINC000481770254 530780687 /nfs/dbraw/zinc/78/06/87/530780687.db2.gz WORAVNRGGXQGDG-VIFPVBQESA-N -1 3 396.874 0.540 20 30 GCEDHM CC#CC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)F)cc1 ZINC000656366249 530835631 /nfs/dbraw/zinc/83/56/31/530835631.db2.gz MOQKFPATVNHDEU-LLVKDONJSA-N -1 3 396.437 0.283 20 30 GCEDHM CN(C)S(=O)(=O)N1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000554709614 530817962 /nfs/dbraw/zinc/81/79/62/530817962.db2.gz HPBWUZHDVAFERE-LLVKDONJSA-N -1 3 392.528 0.559 20 30 GCEDHM CS(=O)(=O)N1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000513180350 530822548 /nfs/dbraw/zinc/82/25/48/530822548.db2.gz BZIYAHMKYIIULJ-GFCCVEGCSA-N -1 3 377.875 0.914 20 30 GCEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000416426628 530846598 /nfs/dbraw/zinc/84/65/98/530846598.db2.gz KJAQRCBRYAWUNY-QWRGUYRKSA-N -1 3 388.243 0.632 20 30 GCEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CN2CCN1CC2 ZINC000416435542 530846730 /nfs/dbraw/zinc/84/67/30/530846730.db2.gz FPQSGLCPABIBIG-ZDUSSCGKSA-N -1 3 385.287 0.599 20 30 GCEDHM CN1CCN(C)[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416385395 530846774 /nfs/dbraw/zinc/84/67/74/530846774.db2.gz GKMKFSXHYNHQOS-ZDUSSCGKSA-N -1 3 387.303 0.845 20 30 GCEDHM CCN(CCC#N)S(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000499673325 530856047 /nfs/dbraw/zinc/85/60/47/530856047.db2.gz FLYXUVFEONSRCD-UHFFFAOYSA-N -1 3 396.441 0.313 20 30 GCEDHM CCN([C@H](C)CO)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349460609 530874726 /nfs/dbraw/zinc/87/47/26/530874726.db2.gz VZURPQGLPOIASS-GFCCVEGCSA-N -1 3 387.483 0.412 20 30 GCEDHM CC(C)N1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CC1 ZINC000349446773 530873402 /nfs/dbraw/zinc/87/34/02/530873402.db2.gz AMMMGKNBVFNCQX-UHFFFAOYSA-N -1 3 386.499 0.203 20 30 GCEDHM CS(=O)(=O)N[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000531802965 530897845 /nfs/dbraw/zinc/89/78/45/530897845.db2.gz MBYGTIKTFCBPQH-YPMHNXCESA-N -1 3 375.447 0.694 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCCS(=O)(=O)N1CC[C@@H](F)C1 ZINC000349591538 530898158 /nfs/dbraw/zinc/89/81/58/530898158.db2.gz ODAAFCGDWLHHSQ-OCCSQVGLSA-N -1 3 381.495 0.752 20 30 GCEDHM CS(=O)(=O)N1CCC[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000274676860 530905071 /nfs/dbraw/zinc/90/50/71/530905071.db2.gz ZLPSXIRAURHUFP-NSHDSACASA-N -1 3 377.875 0.914 20 30 GCEDHM N#CC1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2cncc(F)c2)C1 ZINC000349604235 530910200 /nfs/dbraw/zinc/91/02/00/530910200.db2.gz SSFFIIFFEKBWHM-UHFFFAOYSA-N -1 3 376.435 0.528 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H]([C@H](C)O)C1 ZINC000349476662 530875488 /nfs/dbraw/zinc/87/54/88/530875488.db2.gz CQKCOONYZBXGNR-AVGNSLFASA-N -1 3 387.483 0.268 20 30 GCEDHM C[C@H](O)CCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349480261 530876961 /nfs/dbraw/zinc/87/69/61/530876961.db2.gz KKLFKJUUWKFJDO-LBPRGKRZSA-N -1 3 387.483 0.412 20 30 GCEDHM CCc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)cn1 ZINC000349480485 530877088 /nfs/dbraw/zinc/87/70/88/530877088.db2.gz XVRAHHKMIGZSSM-UHFFFAOYSA-N -1 3 387.487 0.346 20 30 GCEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(C#N)C1 ZINC000349481850 530877518 /nfs/dbraw/zinc/87/75/18/530877518.db2.gz OVWXTWKWSHXAPW-CYBMUJFWSA-N -1 3 382.467 0.801 20 30 GCEDHM CO[C@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CC1 ZINC000349482032 530877651 /nfs/dbraw/zinc/87/76/51/530877651.db2.gz QFBGYNLYAGSKKX-ZDUSSCGKSA-N -1 3 387.483 0.678 20 30 GCEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOC2)C1 ZINC000349496169 530881662 /nfs/dbraw/zinc/88/16/62/530881662.db2.gz AKFPEZNWKVDZAM-HUUCEWRRSA-N -1 3 393.531 0.778 20 30 GCEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOC2)C1 ZINC000349496170 530881812 /nfs/dbraw/zinc/88/18/12/530881812.db2.gz AKFPEZNWKVDZAM-LSDHHAIUSA-N -1 3 393.531 0.778 20 30 GCEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@](F)(C#N)C1 ZINC000349498245 530882301 /nfs/dbraw/zinc/88/23/01/530882301.db2.gz NZCDWNZOOYXMJV-TZMCWYRMSA-N -1 3 394.494 0.502 20 30 GCEDHM N#CC1([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](F)C2)CCCCC1 ZINC000349502958 530883402 /nfs/dbraw/zinc/88/34/02/530883402.db2.gz KDGMFYKSGGVTMT-ZDUSSCGKSA-N -1 3 381.495 0.896 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000349503720 530883664 /nfs/dbraw/zinc/88/36/64/530883664.db2.gz PSXLYPZKEJWFAE-RBSFLKMASA-N -1 3 377.532 0.906 20 30 GCEDHM CO[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000594825936 530884707 /nfs/dbraw/zinc/88/47/07/530884707.db2.gz DUUTZLLOFZUOSB-MNOVXSKESA-N -1 3 398.384 0.667 20 30 GCEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000370982057 530888919 /nfs/dbraw/zinc/88/89/19/530888919.db2.gz IMRRXMBHPQGOHA-VFZGTOFNSA-N -1 3 382.829 0.868 20 30 GCEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)C1 ZINC000349520633 530889012 /nfs/dbraw/zinc/88/90/12/530889012.db2.gz KEBNNVCTAFTWHL-RRFJBIMHSA-N -1 3 393.531 0.165 20 30 GCEDHM CC[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)C[C@H]1O ZINC000349466210 530890303 /nfs/dbraw/zinc/89/03/03/530890303.db2.gz QFZWHHUCVOSAJX-NFAWXSAZSA-N -1 3 393.531 0.021 20 30 GCEDHM N#CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CCC[C@H]2CO)CC1 ZINC000349473331 530891503 /nfs/dbraw/zinc/89/15/03/530891503.db2.gz SADADQOTGPRPCD-LBPRGKRZSA-N -1 3 385.467 0.166 20 30 GCEDHM C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000349473876 530891589 /nfs/dbraw/zinc/89/15/89/530891589.db2.gz ZXEYPZLGZVAIQQ-JHJVBQTASA-N -1 3 381.520 0.019 20 30 GCEDHM C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]C2(C#N)CCCCC2)CO1 ZINC000349577378 530895164 /nfs/dbraw/zinc/89/51/64/530895164.db2.gz QSRNMSSQMLXLME-ZIAGYGMSSA-N -1 3 393.531 0.619 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCN(S(=O)(=O)C3CC3)CC2)c(F)c1 ZINC000531483534 530897266 /nfs/dbraw/zinc/89/72/66/530897266.db2.gz PJTBMMVLAPIDGY-UHFFFAOYSA-N -1 3 387.458 0.932 20 30 GCEDHM COc1cc(S(=O)(=O)[N-]CC(=O)NCC#N)c(OC)cc1Br ZINC000511037423 530932551 /nfs/dbraw/zinc/93/25/51/530932551.db2.gz YWKVPUMCIXNRJH-UHFFFAOYSA-N -1 3 392.231 0.384 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(O)CCS(=O)(=O)CC2)c(Cl)c1 ZINC000556405816 530933675 /nfs/dbraw/zinc/93/36/75/530933675.db2.gz FMDQZLNZWDIOET-UHFFFAOYSA-N -1 3 378.859 0.430 20 30 GCEDHM CC(C)NS(=O)(=O)NCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000277154004 530912819 /nfs/dbraw/zinc/91/28/19/530912819.db2.gz LCEPPGXXTQVYKP-UHFFFAOYSA-N -1 3 380.879 0.322 20 30 GCEDHM N#Cc1ncccc1S(=O)(=O)[N-]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000277102499 530913310 /nfs/dbraw/zinc/91/33/10/530913310.db2.gz WXWAOOLOWPBNPJ-UHFFFAOYSA-N -1 3 394.425 0.496 20 30 GCEDHM CO[C@H]1C[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C1(C)C ZINC000584480891 530916117 /nfs/dbraw/zinc/91/61/17/530916117.db2.gz RSRAQAFBZQZVHL-KGLIPLIRSA-N -1 3 387.483 0.580 20 30 GCEDHM CCS(=O)(=O)NCC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000283568721 530925246 /nfs/dbraw/zinc/92/52/46/530925246.db2.gz PXFKMEJOYNBZOB-UHFFFAOYSA-N -1 3 396.288 0.538 20 30 GCEDHM COC(=O)CCN1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1=O ZINC000501157749 530928353 /nfs/dbraw/zinc/92/83/53/530928353.db2.gz LFAKQRPZOLYFEO-GFCCVEGCSA-N -1 3 385.829 0.654 20 30 GCEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCC1CCS(=O)(=O)CC1 ZINC000507917372 530937425 /nfs/dbraw/zinc/93/74/25/530937425.db2.gz JTDIYHARWMEUEQ-UHFFFAOYSA-N -1 3 387.439 0.960 20 30 GCEDHM C=CCn1cc(C[N-]S(=O)(=O)c2cc(C)cc(S(C)(=O)=O)c2C)nn1 ZINC000425177946 530941673 /nfs/dbraw/zinc/94/16/73/530941673.db2.gz JENDPVUGPSROJK-UHFFFAOYSA-N -1 3 384.483 0.963 20 30 GCEDHM C=CCn1c(=O)[n-]nc1S(=O)(=O)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000521472770 530945375 /nfs/dbraw/zinc/94/53/75/530945375.db2.gz FFQLVKATWPRJHH-UHFFFAOYSA-N -1 3 387.439 0.426 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCC(C)(C)O ZINC000516785396 530955635 /nfs/dbraw/zinc/95/56/35/530955635.db2.gz JSAKTCJDAQLSIC-UHFFFAOYSA-N -1 3 375.472 0.270 20 30 GCEDHM COCCOc1ccc(Br)cc1S(=O)(=O)[N-]CC#CCO ZINC000632515985 530973171 /nfs/dbraw/zinc/97/31/71/530973171.db2.gz OILKFWWKCSIWQO-UHFFFAOYSA-N -1 3 378.244 0.748 20 30 GCEDHM CC(C)[C@](C)(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000572016031 530983752 /nfs/dbraw/zinc/98/37/52/530983752.db2.gz PIYAOMCISMTKRW-CQSZACIVSA-N -1 3 375.472 0.174 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)CCS(C)(=O)=O)ccc1F ZINC000270088342 531005380 /nfs/dbraw/zinc/00/53/80/531005380.db2.gz SSJSIDZTFLSGBZ-UHFFFAOYSA-N -1 3 392.474 0.797 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)CC2)ccc1F ZINC000264161490 531003428 /nfs/dbraw/zinc/00/34/28/531003428.db2.gz INPAUWIHWKVFNV-UHFFFAOYSA-N -1 3 376.431 0.161 20 30 GCEDHM COCCN(CCC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000614838519 531037839 /nfs/dbraw/zinc/03/78/39/531037839.db2.gz WCWWFVMVKYJRDB-UHFFFAOYSA-N -1 3 387.483 0.678 20 30 GCEDHM C=CCN(CCC#N)C(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000553126866 531149021 /nfs/dbraw/zinc/14/90/21/531149021.db2.gz ZJKYUWQLSVXCAX-UHFFFAOYSA-N -1 3 384.483 0.591 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000572542860 531160561 /nfs/dbraw/zinc/16/05/61/531160561.db2.gz PCXYFDFOVSJWLN-OLZOCXBDSA-N -1 3 387.483 0.318 20 30 GCEDHM N#C[C@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)CCO1 ZINC000555215752 531167665 /nfs/dbraw/zinc/16/76/65/531167665.db2.gz LVBFXHQKNUNVFG-NSHDSACASA-N -1 3 390.824 0.691 20 30 GCEDHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC(O)(CC#N)C2)cc1 ZINC000440085151 531168751 /nfs/dbraw/zinc/16/87/51/531168751.db2.gz ZQKMSJWQRFEKOB-UHFFFAOYSA-N -1 3 387.483 0.877 20 30 GCEDHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC(O)(CC#N)C2)c(OC)c1 ZINC000440105707 531169062 /nfs/dbraw/zinc/16/90/62/531169062.db2.gz YPKCRFYRJQVKOM-UHFFFAOYSA-N -1 3 389.455 0.106 20 30 GCEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](O)C1CC1 ZINC000565229669 531181356 /nfs/dbraw/zinc/18/13/56/531181356.db2.gz JSIBPMKLRSVKPY-GFCCVEGCSA-N -1 3 387.483 0.316 20 30 GCEDHM CC[C@H](CO)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000565229872 531181541 /nfs/dbraw/zinc/18/15/41/531181541.db2.gz PBLWBBRUIJRGPN-GFCCVEGCSA-N -1 3 389.499 0.658 20 30 GCEDHM N#CCCCOC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000737687698 598878596 /nfs/dbraw/zinc/87/85/96/598878596.db2.gz LBEWPHPXGHOJQB-CYBMUJFWSA-N -1 3 383.368 0.919 20 30 GCEDHM N#CCCCOC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000737687698 598878597 /nfs/dbraw/zinc/87/85/97/598878597.db2.gz LBEWPHPXGHOJQB-CYBMUJFWSA-N -1 3 383.368 0.919 20 30 GCEDHM C[C@H](C#N)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1-c1nnn[n-]1 ZINC000735505094 598893553 /nfs/dbraw/zinc/89/35/53/598893553.db2.gz SCEUPWMRUHEIPY-SNVBAGLBSA-N -1 3 383.391 0.982 20 30 GCEDHM C[C@H](C#N)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1-c1nn[n-]n1 ZINC000735505094 598893555 /nfs/dbraw/zinc/89/35/55/598893555.db2.gz SCEUPWMRUHEIPY-SNVBAGLBSA-N -1 3 383.391 0.982 20 30 GCEDHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737167955 598918224 /nfs/dbraw/zinc/91/82/24/598918224.db2.gz XCPMFYXMVLPBLG-CYBMUJFWSA-N -1 3 375.414 0.491 20 30 GCEDHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737167955 598918227 /nfs/dbraw/zinc/91/82/27/598918227.db2.gz XCPMFYXMVLPBLG-CYBMUJFWSA-N -1 3 375.414 0.491 20 30 GCEDHM N#Cc1ccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1-c1nnn[n-]1 ZINC000737716423 598920858 /nfs/dbraw/zinc/92/08/58/598920858.db2.gz QVPAYMXPOAYVTR-STQMWFEESA-N -1 3 379.380 0.852 20 30 GCEDHM N#Cc1ccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1-c1nn[n-]n1 ZINC000737716423 598920860 /nfs/dbraw/zinc/92/08/60/598920860.db2.gz QVPAYMXPOAYVTR-STQMWFEESA-N -1 3 379.380 0.852 20 30 GCEDHM C=C(COC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C(=O)OCC ZINC000735402579 598921100 /nfs/dbraw/zinc/92/11/00/598921100.db2.gz XVZSSXCYXMHSRC-UHFFFAOYSA-N -1 3 383.368 0.911 20 30 GCEDHM C=C(COC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C(=O)OCC ZINC000735402579 598921101 /nfs/dbraw/zinc/92/11/01/598921101.db2.gz XVZSSXCYXMHSRC-UHFFFAOYSA-N -1 3 383.368 0.911 20 30 GCEDHM N#Cc1ccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1-c1nnn[n-]1 ZINC000737717134 598921931 /nfs/dbraw/zinc/92/19/31/598921931.db2.gz ZKQMERDHCYIYIX-UHFFFAOYSA-N -1 3 394.395 0.932 20 30 GCEDHM N#Cc1ccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1-c1nn[n-]n1 ZINC000737717134 598921932 /nfs/dbraw/zinc/92/19/32/598921932.db2.gz ZKQMERDHCYIYIX-UHFFFAOYSA-N -1 3 394.395 0.932 20 30 GCEDHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737199706 598928254 /nfs/dbraw/zinc/92/82/54/598928254.db2.gz ORUTUFHQJJLDHE-UHFFFAOYSA-N -1 3 375.352 0.564 20 30 GCEDHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737199706 598928256 /nfs/dbraw/zinc/92/82/56/598928256.db2.gz ORUTUFHQJJLDHE-UHFFFAOYSA-N -1 3 375.352 0.564 20 30 GCEDHM C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000819701413 607274939 /nfs/dbraw/zinc/27/49/39/607274939.db2.gz GMLAJFGOMWKXGO-UHFFFAOYSA-N -1 3 395.423 0.102 20 30 GCEDHM C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000819701413 607274940 /nfs/dbraw/zinc/27/49/40/607274940.db2.gz GMLAJFGOMWKXGO-UHFFFAOYSA-N -1 3 395.423 0.102 20 30 GCEDHM C=CCN1C(=O)c2ccc(C(=O)Nc3ccncc3-c3nnn[n-]3)cc2C1=O ZINC000735426112 599251900 /nfs/dbraw/zinc/25/19/00/599251900.db2.gz KVBRTFWKWPSSPR-UHFFFAOYSA-N -1 3 375.348 0.718 20 30 GCEDHM C=CCN1C(=O)c2ccc(C(=O)Nc3ccncc3-c3nn[n-]n3)cc2C1=O ZINC000735426112 599251902 /nfs/dbraw/zinc/25/19/02/599251902.db2.gz KVBRTFWKWPSSPR-UHFFFAOYSA-N -1 3 375.348 0.718 20 30 GCEDHM CN(CCC#N)S(=O)(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736793620 598252050 /nfs/dbraw/zinc/25/20/50/598252050.db2.gz YERUMVDLYRCJRH-UHFFFAOYSA-N -1 3 391.457 0.800 20 30 GCEDHM CN(CCC#N)S(=O)(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736793620 598252051 /nfs/dbraw/zinc/25/20/51/598252051.db2.gz YERUMVDLYRCJRH-UHFFFAOYSA-N -1 3 391.457 0.800 20 30 GCEDHM C[C@@](C#N)(NC(=O)CN1CCN(c2ccccc2-c2nnn[n-]2)CC1)C1CC1 ZINC000735502599 598252426 /nfs/dbraw/zinc/25/24/26/598252426.db2.gz ADWABVQVIMVWGH-IBGZPJMESA-N -1 3 380.456 0.797 20 30 GCEDHM C[C@@](C#N)(NC(=O)CN1CCN(c2ccccc2-c2nn[n-]n2)CC1)C1CC1 ZINC000735502599 598252428 /nfs/dbraw/zinc/25/24/28/598252428.db2.gz ADWABVQVIMVWGH-IBGZPJMESA-N -1 3 380.456 0.797 20 30 GCEDHM C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735432146 598252649 /nfs/dbraw/zinc/25/26/49/598252649.db2.gz MZOQINGTAUUUHH-CYBMUJFWSA-N -1 3 384.444 0.389 20 30 GCEDHM C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735432146 598252651 /nfs/dbraw/zinc/25/26/51/598252651.db2.gz MZOQINGTAUUUHH-CYBMUJFWSA-N -1 3 384.444 0.389 20 30 GCEDHM C=CCN(CC=C)C(=O)COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735419769 598409439 /nfs/dbraw/zinc/40/94/39/598409439.db2.gz ZUJCSPIBNPQWMY-UHFFFAOYSA-N -1 3 384.396 0.340 20 30 GCEDHM C=CCN(CC=C)C(=O)COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735419769 598409440 /nfs/dbraw/zinc/40/94/40/598409440.db2.gz ZUJCSPIBNPQWMY-UHFFFAOYSA-N -1 3 384.396 0.340 20 30 GCEDHM N#CCN1CCC(NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CC1 ZINC000737694948 598430719 /nfs/dbraw/zinc/43/07/19/598430719.db2.gz HHENIXNGJKSSSF-UHFFFAOYSA-N -1 3 396.459 0.081 20 30 GCEDHM N#CCN1CCC(NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CC1 ZINC000737694948 598430720 /nfs/dbraw/zinc/43/07/20/598430720.db2.gz HHENIXNGJKSSSF-UHFFFAOYSA-N -1 3 396.459 0.081 20 30 GCEDHM N#CCCN(CCC#N)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737685793 598437025 /nfs/dbraw/zinc/43/70/25/598437025.db2.gz DYKCTBJRUVMSKY-UHFFFAOYSA-N -1 3 376.384 0.904 20 30 GCEDHM N#CCCN(CCC#N)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737685793 598437026 /nfs/dbraw/zinc/43/70/26/598437026.db2.gz DYKCTBJRUVMSKY-UHFFFAOYSA-N -1 3 376.384 0.904 20 30 GCEDHM C#CCN(CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000735374629 598538787 /nfs/dbraw/zinc/53/87/87/598538787.db2.gz KUCKKKYUAJMWJD-OAHLLOKOSA-N -1 3 388.453 0.318 20 30 GCEDHM C#CCN(CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000735374629 598538788 /nfs/dbraw/zinc/53/87/88/598538788.db2.gz KUCKKKYUAJMWJD-OAHLLOKOSA-N -1 3 388.453 0.318 20 30 GCEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCCn1cnc2c1ncnc2N ZINC000737703914 598569917 /nfs/dbraw/zinc/56/99/17/598569917.db2.gz CLATZMHRNONBKR-UHFFFAOYSA-N -1 3 394.428 0.620 20 30 GCEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCCn1cnc2c1ncnc2N ZINC000737703914 598569918 /nfs/dbraw/zinc/56/99/18/598569918.db2.gz CLATZMHRNONBKR-UHFFFAOYSA-N -1 3 394.428 0.620 20 30 GCEDHM CC(C)[C@@H](C#N)N1CCN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735690661 598619755 /nfs/dbraw/zinc/61/97/55/598619755.db2.gz LDZBLEPMZYSDNC-SJLPKXTDSA-N -1 3 385.472 0.772 20 30 GCEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000736170512 598623705 /nfs/dbraw/zinc/62/37/05/598623705.db2.gz QCVHWBABMAMFBO-AFMLGWFNSA-N -1 3 397.395 0.277 20 30 GCEDHM N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)nc1 ZINC000737718327 598637397 /nfs/dbraw/zinc/63/73/97/598637397.db2.gz HUXLJCMWSAAIPX-UHFFFAOYSA-N -1 3 395.358 0.439 20 30 GCEDHM N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)nc1 ZINC000737718327 598637399 /nfs/dbraw/zinc/63/73/99/598637399.db2.gz HUXLJCMWSAAIPX-UHFFFAOYSA-N -1 3 395.358 0.439 20 30 GCEDHM Cn1cc(N2CC[C@@H](Sc3nc(N)c(C#N)cc3-c3nnn[n-]3)C2=O)cn1 ZINC000737612138 598641361 /nfs/dbraw/zinc/64/13/61/598641361.db2.gz XEBLIXPIWRRIOJ-LLVKDONJSA-N -1 3 382.413 0.347 20 30 GCEDHM Cn1cc(N2CC[C@@H](Sc3nc(N)c(C#N)cc3-c3nn[n-]n3)C2=O)cn1 ZINC000737612138 598641363 /nfs/dbraw/zinc/64/13/63/598641363.db2.gz XEBLIXPIWRRIOJ-LLVKDONJSA-N -1 3 382.413 0.347 20 30 GCEDHM Cn1cc(N2CC[C@@H](Sc3nc(N)c(-c4nnn[n-]4)cc3C#N)C2=O)cn1 ZINC000737610621 598641646 /nfs/dbraw/zinc/64/16/46/598641646.db2.gz PPBVBTVVODYOKG-LLVKDONJSA-N -1 3 382.413 0.347 20 30 GCEDHM Cn1cc(N2CC[C@@H](Sc3nc(N)c(-c4nn[n-]n4)cc3C#N)C2=O)cn1 ZINC000737610621 598641648 /nfs/dbraw/zinc/64/16/48/598641648.db2.gz PPBVBTVVODYOKG-LLVKDONJSA-N -1 3 382.413 0.347 20 30 GCEDHM C#CCNC(=O)C1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735380753 598667340 /nfs/dbraw/zinc/66/73/40/598667340.db2.gz IVZUKXPPWGAADQ-UHFFFAOYSA-N -1 3 384.465 0.947 20 30 GCEDHM C#CCNC(=O)C1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735380753 598667342 /nfs/dbraw/zinc/66/73/42/598667342.db2.gz IVZUKXPPWGAADQ-UHFFFAOYSA-N -1 3 384.465 0.947 20 30 GCEDHM N#Cc1cccnc1NCCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737727754 598692138 /nfs/dbraw/zinc/69/21/38/598692138.db2.gz RNCIGRYHDJZTBQ-UHFFFAOYSA-N -1 3 388.388 0.663 20 30 GCEDHM N#Cc1cccnc1NCCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737727754 598692140 /nfs/dbraw/zinc/69/21/40/598692140.db2.gz RNCIGRYHDJZTBQ-UHFFFAOYSA-N -1 3 388.388 0.663 20 30 GCEDHM O=C(NCCNC(=O)C1N=CC=CC1=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000738075928 598731439 /nfs/dbraw/zinc/73/14/39/598731439.db2.gz SMZQFZAXRIGEDF-PEZBUJJGSA-N -1 3 382.384 0.192 20 30 GCEDHM C=CCNC(=O)c1ccc(N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)nc1 ZINC000735433030 598784727 /nfs/dbraw/zinc/78/47/27/598784727.db2.gz YDEZNXNNBWCCCZ-UHFFFAOYSA-N -1 3 391.439 0.899 20 30 GCEDHM C=CCNC(=O)c1ccc(N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)nc1 ZINC000735433030 598784729 /nfs/dbraw/zinc/78/47/29/598784729.db2.gz YDEZNXNNBWCCCZ-UHFFFAOYSA-N -1 3 391.439 0.899 20 30 GCEDHM C#CCN(C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000735374960 598818067 /nfs/dbraw/zinc/81/80/67/598818067.db2.gz PRCFAGHYIPOYFF-OLZOCXBDSA-N -1 3 389.437 0.283 20 30 GCEDHM C#CCN(C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000735374960 598818068 /nfs/dbraw/zinc/81/80/68/598818068.db2.gz PRCFAGHYIPOYFF-OLZOCXBDSA-N -1 3 389.437 0.283 20 30 GCEDHM C#CCN(C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000735374965 598818281 /nfs/dbraw/zinc/81/82/81/598818281.db2.gz PRCFAGHYIPOYFF-STQMWFEESA-N -1 3 389.437 0.283 20 30 GCEDHM C#CCN(C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000735374965 598818282 /nfs/dbraw/zinc/81/82/82/598818282.db2.gz PRCFAGHYIPOYFF-STQMWFEESA-N -1 3 389.437 0.283 20 30 GCEDHM C#CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000735374843 598818361 /nfs/dbraw/zinc/81/83/61/598818361.db2.gz MYNVUMUIQJZXJV-ZDUSSCGKSA-N -1 3 391.478 0.608 20 30 GCEDHM C#CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000735374843 598818363 /nfs/dbraw/zinc/81/83/63/598818363.db2.gz MYNVUMUIQJZXJV-ZDUSSCGKSA-N -1 3 391.478 0.608 20 30 GCEDHM C=CCNC(=O)CN1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000735431672 599399077 /nfs/dbraw/zinc/39/90/77/599399077.db2.gz ICKALKQQIMMCSB-UHFFFAOYSA-N -1 3 378.440 0.839 20 30 GCEDHM C=CCNC(=O)CN1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000735431672 599399080 /nfs/dbraw/zinc/39/90/80/599399080.db2.gz ICKALKQQIMMCSB-UHFFFAOYSA-N -1 3 378.440 0.839 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826407503 607375126 /nfs/dbraw/zinc/37/51/26/607375126.db2.gz PBJCQSCLAGHVNF-VLGSPTGOSA-N -1 3 396.363 0.509 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000819745439 599530293 /nfs/dbraw/zinc/53/02/93/599530293.db2.gz CWSFTEVCSPMQAE-SNVBAGLBSA-N -1 3 383.368 0.021 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000819745439 599530295 /nfs/dbraw/zinc/53/02/95/599530295.db2.gz CWSFTEVCSPMQAE-SNVBAGLBSA-N -1 3 383.368 0.021 20 30 GCEDHM C#C[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819688652 599624406 /nfs/dbraw/zinc/62/44/06/599624406.db2.gz LLWZAKNDWHHPIT-LBPRGKRZSA-N -1 3 389.437 0.832 20 30 GCEDHM C#C[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819688652 599624407 /nfs/dbraw/zinc/62/44/07/599624407.db2.gz LLWZAKNDWHHPIT-LBPRGKRZSA-N -1 3 389.437 0.832 20 30 GCEDHM C#CCN(CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000819701703 599637099 /nfs/dbraw/zinc/63/70/99/599637099.db2.gz LEUHHKLTZOGHHO-OAHLLOKOSA-N -1 3 388.453 0.318 20 30 GCEDHM C#CCN(CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000819701703 599637100 /nfs/dbraw/zinc/63/71/00/599637100.db2.gz LEUHHKLTZOGHHO-OAHLLOKOSA-N -1 3 388.453 0.318 20 30 GCEDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000821742093 607418145 /nfs/dbraw/zinc/41/81/45/607418145.db2.gz ZHWWIXLVAJHPLD-VLGSPTGOSA-N -1 3 398.379 0.835 20 30 GCEDHM N#Cc1c(F)cccc1S(=O)(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000826383810 607587690 /nfs/dbraw/zinc/58/76/90/607587690.db2.gz RDZBBGJAMMNRTK-UHFFFAOYSA-N -1 3 388.388 0.663 20 30 GCEDHM C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000823903839 607593421 /nfs/dbraw/zinc/59/34/21/607593421.db2.gz LUTOJFWDHNWURW-GFCCVEGCSA-N -1 3 397.482 0.539 20 30 GCEDHM C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000823903839 607593423 /nfs/dbraw/zinc/59/34/23/607593423.db2.gz LUTOJFWDHNWURW-GFCCVEGCSA-N -1 3 397.482 0.539 20 30 GCEDHM N#Cc1c(F)cccc1S(=O)(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000826383831 607598263 /nfs/dbraw/zinc/59/82/63/607598263.db2.gz SGCLPSIESOSZJT-UHFFFAOYSA-N -1 3 388.388 0.663 20 30 GCEDHM N#Cc1c(F)cccc1S(=O)(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000826383831 607598264 /nfs/dbraw/zinc/59/82/64/607598264.db2.gz SGCLPSIESOSZJT-UHFFFAOYSA-N -1 3 388.388 0.663 20 30 GCEDHM CC(C)[C@](C)(CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC000824192881 607739538 /nfs/dbraw/zinc/73/95/38/607739538.db2.gz OARCVNJPUWYXOW-SFHVURJKSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)[C@](C)(CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC000824192881 607739539 /nfs/dbraw/zinc/73/95/39/607739539.db2.gz OARCVNJPUWYXOW-SFHVURJKSA-N -1 3 395.427 0.969 20 30 GCEDHM C#CCN1CCN(C(=O)CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)CC1 ZINC000819702267 606018268 /nfs/dbraw/zinc/01/82/68/606018268.db2.gz WGHHNFYWAIWZOR-UHFFFAOYSA-N -1 3 383.456 0.843 20 30 GCEDHM C[C@@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820328965 606025558 /nfs/dbraw/zinc/02/55/58/606025558.db2.gz SRFDZODJISZQEC-RKQLKTQESA-N -1 3 381.396 0.960 20 30 GCEDHM COC(=O)CN(CC#N)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000821662581 606070102 /nfs/dbraw/zinc/07/01/02/606070102.db2.gz JHLXJZDSCCZZIY-UHFFFAOYSA-N -1 3 389.441 0.744 20 30 GCEDHM COC(=O)CN(CC#N)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000821662581 606070107 /nfs/dbraw/zinc/07/01/07/606070107.db2.gz JHLXJZDSCCZZIY-UHFFFAOYSA-N -1 3 389.441 0.744 20 30 GCEDHM Cn1cc(C#N)c(NC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000822664826 606169251 /nfs/dbraw/zinc/16/92/51/606169251.db2.gz BJGITIQUQUHRKC-UHFFFAOYSA-N -1 3 392.427 0.822 20 30 GCEDHM C=C(C)CN(CC)C(=O)CN(C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819723000 606176930 /nfs/dbraw/zinc/17/69/30/606176930.db2.gz UDAJJFZSDNDUHJ-UHFFFAOYSA-N -1 3 378.458 0.912 20 30 GCEDHM C=C(C)CN(CC)C(=O)CN(C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819723000 606176931 /nfs/dbraw/zinc/17/69/31/606176931.db2.gz UDAJJFZSDNDUHJ-UHFFFAOYSA-N -1 3 378.458 0.912 20 30 GCEDHM N#Cc1c[nH]c(C(=O)NC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)c1 ZINC000822818818 606267085 /nfs/dbraw/zinc/26/70/85/606267085.db2.gz GMGBPNJAAYHZCA-AWEZNQCLSA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1c[nH]c(C(=O)NC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)c1 ZINC000822818818 606267087 /nfs/dbraw/zinc/26/70/87/606267087.db2.gz GMGBPNJAAYHZCA-AWEZNQCLSA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1c[nH]c(C(=O)NC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)c1 ZINC000822818819 606267104 /nfs/dbraw/zinc/26/71/04/606267104.db2.gz GMGBPNJAAYHZCA-CQSZACIVSA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1c[nH]c(C(=O)NC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)c1 ZINC000822818819 606267105 /nfs/dbraw/zinc/26/71/05/606267105.db2.gz GMGBPNJAAYHZCA-CQSZACIVSA-N -1 3 379.384 0.333 20 30 GCEDHM CN(CCN(C)C(=O)c1cc(-c2nnn[n-]2)cn1C)C(=O)c1cc(C#N)cn1C ZINC000821601335 606286965 /nfs/dbraw/zinc/28/69/65/606286965.db2.gz BRJSDTJDOQHSDH-UHFFFAOYSA-N -1 3 395.427 0.260 20 30 GCEDHM CN(CCN(C)C(=O)c1cc(-c2nn[n-]n2)cn1C)C(=O)c1cc(C#N)cn1C ZINC000821601335 606286966 /nfs/dbraw/zinc/28/69/66/606286966.db2.gz BRJSDTJDOQHSDH-UHFFFAOYSA-N -1 3 395.427 0.260 20 30 GCEDHM C[C@H](CNC(=O)c1cc(C#N)cn1C)N(C)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820269097 606288577 /nfs/dbraw/zinc/28/85/77/606288577.db2.gz HBFWBZBCCANVBA-LLVKDONJSA-N -1 3 395.427 0.306 20 30 GCEDHM C[C@H](CNC(=O)c1cc(C#N)cn1C)N(C)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820269097 606288578 /nfs/dbraw/zinc/28/85/78/606288578.db2.gz HBFWBZBCCANVBA-LLVKDONJSA-N -1 3 395.427 0.306 20 30 GCEDHM CN(CC(C)(C)CNC(=O)c1cc(C#N)c[nH]1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821593976 606291232 /nfs/dbraw/zinc/29/12/32/606291232.db2.gz SDKOHXHNNOVNCG-UHFFFAOYSA-N -1 3 395.427 0.923 20 30 GCEDHM CN(CC(C)(C)CNC(=O)c1cc(C#N)c[nH]1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821593976 606291233 /nfs/dbraw/zinc/29/12/33/606291233.db2.gz SDKOHXHNNOVNCG-UHFFFAOYSA-N -1 3 395.427 0.923 20 30 GCEDHM C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000820744543 606298807 /nfs/dbraw/zinc/29/88/07/606298807.db2.gz YPWJIAPQSMHNFU-JTQLQIEISA-N -1 3 379.384 0.381 20 30 GCEDHM C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000820744543 606298809 /nfs/dbraw/zinc/29/88/09/606298809.db2.gz YPWJIAPQSMHNFU-JTQLQIEISA-N -1 3 379.384 0.381 20 30 GCEDHM CCCCn1c(=O)c(=Cc2cc(-c3nnn[n-]3)cs2)sc1=C(C#N)C#N ZINC000821083458 606330799 /nfs/dbraw/zinc/33/07/99/606330799.db2.gz ZIPWCBLROIJFPJ-UHFFFAOYSA-N -1 3 383.462 0.978 20 30 GCEDHM CCCCn1c(=O)c(=Cc2cc(-c3nn[n-]n3)cs2)sc1=C(C#N)C#N ZINC000821083458 606330801 /nfs/dbraw/zinc/33/08/01/606330801.db2.gz ZIPWCBLROIJFPJ-UHFFFAOYSA-N -1 3 383.462 0.978 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000822806950 606343556 /nfs/dbraw/zinc/34/35/56/606343556.db2.gz XHYUETOVVLZNGU-MRVPVSSYSA-N -1 3 388.331 0.799 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000822806950 606343557 /nfs/dbraw/zinc/34/35/57/606343557.db2.gz XHYUETOVVLZNGU-MRVPVSSYSA-N -1 3 388.331 0.799 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000822819520 606363303 /nfs/dbraw/zinc/36/33/03/606363303.db2.gz UBUAYRWCJHUTRP-YPMHNXCESA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822819520 606363306 /nfs/dbraw/zinc/36/33/06/606363306.db2.gz UBUAYRWCJHUTRP-YPMHNXCESA-N -1 3 393.411 0.723 20 30 GCEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)[C@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000822622966 606407367 /nfs/dbraw/zinc/40/73/67/606407367.db2.gz MDKWBAGMIZNSQF-LBPRGKRZSA-N -1 3 393.363 0.938 20 30 GCEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)[C@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000822622966 606407370 /nfs/dbraw/zinc/40/73/70/606407370.db2.gz MDKWBAGMIZNSQF-LBPRGKRZSA-N -1 3 393.363 0.938 20 30 GCEDHM N#Cc1cccnc1NCCNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000822842663 606461327 /nfs/dbraw/zinc/46/13/27/606461327.db2.gz SMSOXNRSBSNNMR-UHFFFAOYSA-N -1 3 385.413 0.305 20 30 GCEDHM N#Cc1cccnc1NCCNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000822842663 606461328 /nfs/dbraw/zinc/46/13/28/606461328.db2.gz SMSOXNRSBSNNMR-UHFFFAOYSA-N -1 3 385.413 0.305 20 30 GCEDHM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)[C@@H](C#N)C1 ZINC000819933194 606589698 /nfs/dbraw/zinc/58/96/98/606589698.db2.gz JHSHONBYTRZVLU-LBPRGKRZSA-N -1 3 384.400 0.847 20 30 GCEDHM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)[C@@H](C#N)C1 ZINC000819933194 606589700 /nfs/dbraw/zinc/58/97/00/606589700.db2.gz JHSHONBYTRZVLU-LBPRGKRZSA-N -1 3 384.400 0.847 20 30 GCEDHM C#CCN1CCN(C(=O)COc2c(Cl)cc(-c3nnn[n-]3)cc2OC)CC1 ZINC000819702174 606624253 /nfs/dbraw/zinc/62/42/53/606624253.db2.gz RQVGQHBEKUBLCZ-UHFFFAOYSA-N -1 3 390.831 0.685 20 30 GCEDHM C#CCN1CCN(C(=O)COc2c(Cl)cc(-c3nn[n-]n3)cc2OC)CC1 ZINC000819702174 606624255 /nfs/dbraw/zinc/62/42/55/606624255.db2.gz RQVGQHBEKUBLCZ-UHFFFAOYSA-N -1 3 390.831 0.685 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)c2cc(Br)cc(-c3nnn[n-]3)c2)CCO1 ZINC000822806349 606639533 /nfs/dbraw/zinc/63/95/33/606639533.db2.gz MCJIKZYCVMIWIS-JTQLQIEISA-N -1 3 399.230 0.542 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)c2cc(Br)cc(-c3nn[n-]n3)c2)CCO1 ZINC000822806349 606639534 /nfs/dbraw/zinc/63/95/34/606639534.db2.gz MCJIKZYCVMIWIS-JTQLQIEISA-N -1 3 399.230 0.542 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)Nc1cccn(C)c1=O ZINC000819743841 606658493 /nfs/dbraw/zinc/65/84/93/606658493.db2.gz QXCMNPMXSOBCMV-UHFFFAOYSA-N -1 3 393.407 0.719 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1cccn(C)c1=O ZINC000819743841 606658494 /nfs/dbraw/zinc/65/84/94/606658494.db2.gz QXCMNPMXSOBCMV-UHFFFAOYSA-N -1 3 393.407 0.719 20 30 GCEDHM C=CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000819740312 606677952 /nfs/dbraw/zinc/67/79/52/606677952.db2.gz XPEGKEXBABPGLZ-JTQLQIEISA-N -1 3 383.380 0.960 20 30 GCEDHM C=CCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000819740312 606677953 /nfs/dbraw/zinc/67/79/53/606677953.db2.gz XPEGKEXBABPGLZ-JTQLQIEISA-N -1 3 383.380 0.960 20 30 GCEDHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)CC(=O)Nc1sccc1C#N ZINC000821600652 606702429 /nfs/dbraw/zinc/70/24/29/606702429.db2.gz WXZZASBKXBTEAJ-UHFFFAOYSA-N -1 3 386.445 0.608 20 30 GCEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000820804201 606829561 /nfs/dbraw/zinc/82/95/61/606829561.db2.gz NWKZKPUYTPUESJ-SNVBAGLBSA-N -1 3 381.425 0.941 20 30 GCEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000820804201 606829563 /nfs/dbraw/zinc/82/95/63/606829563.db2.gz NWKZKPUYTPUESJ-SNVBAGLBSA-N -1 3 381.425 0.941 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000819745602 606841389 /nfs/dbraw/zinc/84/13/89/606841389.db2.gz LRTXHWYJXPFVHD-GFCCVEGCSA-N -1 3 379.442 0.994 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000819745602 606841391 /nfs/dbraw/zinc/84/13/91/606841391.db2.gz LRTXHWYJXPFVHD-GFCCVEGCSA-N -1 3 379.442 0.994 20 30 GCEDHM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000820788364 606910736 /nfs/dbraw/zinc/91/07/36/606910736.db2.gz FEGAXYPRQVZRMC-XJKSGUPXSA-N -1 3 391.439 0.772 20 30 GCEDHM C[C@H]1CN(c2nccnc2C#N)CCN1C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820803943 606911369 /nfs/dbraw/zinc/91/13/69/606911369.db2.gz JZGLVCZPDYLCNB-GUYCJALGSA-N -1 3 391.439 0.772 20 30 GCEDHM C#CCNC(=O)CN1CCCN(c2nnc(CC)c(CC)c2-c2nnn[n-]2)CC1 ZINC000819701395 606934624 /nfs/dbraw/zinc/93/46/24/606934624.db2.gz FNHPCBQSWYRPHK-UHFFFAOYSA-N -1 3 397.487 0.043 20 30 GCEDHM C#CCNC(=O)CN1CCCN(c2nnc(CC)c(CC)c2-c2nn[n-]n2)CC1 ZINC000819701395 606934626 /nfs/dbraw/zinc/93/46/26/606934626.db2.gz FNHPCBQSWYRPHK-UHFFFAOYSA-N -1 3 397.487 0.043 20 30 GCEDHM CC[C@@](C)(C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820848546 607016883 /nfs/dbraw/zinc/01/68/83/607016883.db2.gz YOXBLSFUJRWSMK-BMIGLBTASA-N -1 3 377.430 0.342 20 30 GCEDHM CC[C@@](C)(C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820848546 607016886 /nfs/dbraw/zinc/01/68/86/607016886.db2.gz YOXBLSFUJRWSMK-BMIGLBTASA-N -1 3 377.430 0.342 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC(C#N)CC1 ZINC000820444343 607017172 /nfs/dbraw/zinc/01/71/72/607017172.db2.gz IQTZAPMUVAPQKU-LLVKDONJSA-N -1 3 389.441 0.296 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC(C#N)CC1 ZINC000820444343 607017174 /nfs/dbraw/zinc/01/71/74/607017174.db2.gz IQTZAPMUVAPQKU-LLVKDONJSA-N -1 3 389.441 0.296 20 30 GCEDHM CC(C)C[C@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820050562 607019610 /nfs/dbraw/zinc/01/96/10/607019610.db2.gz BUCOPGSUPQSEFV-WCQYABFASA-N -1 3 391.457 0.588 20 30 GCEDHM CC(C)C[C@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820050562 607019612 /nfs/dbraw/zinc/01/96/12/607019612.db2.gz BUCOPGSUPQSEFV-WCQYABFASA-N -1 3 391.457 0.588 20 30 GCEDHM C#CCSCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819709812 607042357 /nfs/dbraw/zinc/04/23/57/607042357.db2.gz QBHUYUSTPMXDCN-NSHDSACASA-N -1 3 394.482 0.016 20 30 GCEDHM C#CCSCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819709812 607042359 /nfs/dbraw/zinc/04/23/59/607042359.db2.gz QBHUYUSTPMXDCN-NSHDSACASA-N -1 3 394.482 0.016 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C#N)C(C)(C)C ZINC000820438730 607053760 /nfs/dbraw/zinc/05/37/60/607053760.db2.gz VVOGHCWKYZMPHM-GWCFXTLKSA-N -1 3 391.457 0.588 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C#N)C(C)(C)C ZINC000820438730 607053762 /nfs/dbraw/zinc/05/37/62/607053762.db2.gz VVOGHCWKYZMPHM-GWCFXTLKSA-N -1 3 391.457 0.588 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000820445127 607054414 /nfs/dbraw/zinc/05/44/14/607054414.db2.gz NWPIYZWIJKYMSX-VHRBIJSZSA-N -1 3 389.441 0.342 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000820445127 607054416 /nfs/dbraw/zinc/05/44/16/607054416.db2.gz NWPIYZWIJKYMSX-VHRBIJSZSA-N -1 3 389.441 0.342 20 30 GCEDHM N#CC1(C(=O)O[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCOCC1 ZINC000822800907 607114034 /nfs/dbraw/zinc/11/40/34/607114034.db2.gz AQTLDMXVZATNRQ-AWEZNQCLSA-N -1 3 382.380 0.836 20 30 GCEDHM N#CC1(C(=O)O[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCOCC1 ZINC000822800907 607114036 /nfs/dbraw/zinc/11/40/36/607114036.db2.gz AQTLDMXVZATNRQ-AWEZNQCLSA-N -1 3 382.380 0.836 20 30 GCEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)S(=O)(=O)C1CCOCC1 ZINC000819867955 607238055 /nfs/dbraw/zinc/23/80/55/607238055.db2.gz VUTWUMCBASTNPK-SNVBAGLBSA-N -1 3 390.425 0.659 20 30 GCEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)S(=O)(=O)C1CCOCC1 ZINC000819867955 607238056 /nfs/dbraw/zinc/23/80/56/607238056.db2.gz VUTWUMCBASTNPK-SNVBAGLBSA-N -1 3 390.425 0.659 20 30 GCEDHM C#CCCCNC(=O)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000823841744 607773591 /nfs/dbraw/zinc/77/35/91/607773591.db2.gz SDZDDSRWXFQYFJ-UHFFFAOYSA-N -1 3 385.384 0.903 20 30 GCEDHM C#CCCCNC(=O)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000823841744 607773592 /nfs/dbraw/zinc/77/35/92/607773592.db2.gz SDZDDSRWXFQYFJ-UHFFFAOYSA-N -1 3 385.384 0.903 20 30 GCEDHM N#Cc1ccc(C(=O)N[C@H]2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)[nH]1 ZINC000826384522 607826886 /nfs/dbraw/zinc/82/68/86/607826886.db2.gz YUFGQZNQMDDMNJ-XYPYZODXSA-N -1 3 393.411 0.866 20 30 GCEDHM N#Cc1ccc(C(=O)N[C@H]2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)[nH]1 ZINC000826384522 607826887 /nfs/dbraw/zinc/82/68/87/607826887.db2.gz YUFGQZNQMDDMNJ-XYPYZODXSA-N -1 3 393.411 0.866 20 30 GCEDHM NS(=O)(=O)c1ccc(N=NCc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826395135 607882308 /nfs/dbraw/zinc/88/23/08/607882308.db2.gz OJEFULGXAPTTFH-UHFFFAOYSA-N -1 3 388.369 0.868 20 30 GCEDHM NS(=O)(=O)c1ccc(N=NCc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826395135 607882309 /nfs/dbraw/zinc/88/23/09/607882309.db2.gz OJEFULGXAPTTFH-UHFFFAOYSA-N -1 3 388.369 0.868 20 30 GCEDHM C=CCNC(=O)CN1CCN(Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)CC1 ZINC000823919981 607920525 /nfs/dbraw/zinc/92/05/25/607920525.db2.gz VOEHSPIXMHTTDT-UHFFFAOYSA-N -1 3 399.455 0.073 20 30 GCEDHM C=CCNC(=O)CN1CCN(Cc2cccc(C(=O)OC)c2-c2nn[n-]n2)CC1 ZINC000823919981 607920526 /nfs/dbraw/zinc/92/05/26/607920526.db2.gz VOEHSPIXMHTTDT-UHFFFAOYSA-N -1 3 399.455 0.073 20 30 GCEDHM N#CCCN1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826382263 608038418 /nfs/dbraw/zinc/03/84/18/608038418.db2.gz WBFROMILNCPWTG-UHFFFAOYSA-N -1 3 375.458 0.172 20 30 GCEDHM N#CCCN1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826382263 608038419 /nfs/dbraw/zinc/03/84/19/608038419.db2.gz WBFROMILNCPWTG-UHFFFAOYSA-N -1 3 375.458 0.172 20 30 GCEDHM C#CCNS(=O)(=O)N1CCN([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823849962 608040841 /nfs/dbraw/zinc/04/08/41/608040841.db2.gz FBJZMMIWZNFWKL-ZDUSSCGKSA-N -1 3 375.458 0.013 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000826386277 608056538 /nfs/dbraw/zinc/05/65/38/608056538.db2.gz WZTSVDAZFLVCJU-INIZCTEOSA-N -1 3 397.420 0.896 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000826386277 608056539 /nfs/dbraw/zinc/05/65/39/608056539.db2.gz WZTSVDAZFLVCJU-INIZCTEOSA-N -1 3 397.420 0.896 20 30 GCEDHM C=CCCC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823887978 608058013 /nfs/dbraw/zinc/05/80/13/608058013.db2.gz CIDAVZWNFLUZJI-NSHDSACASA-N -1 3 393.425 0.612 20 30 GCEDHM C=CCCC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823887978 608058014 /nfs/dbraw/zinc/05/80/14/608058014.db2.gz CIDAVZWNFLUZJI-NSHDSACASA-N -1 3 393.425 0.612 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000823914926 608120143 /nfs/dbraw/zinc/12/01/43/608120143.db2.gz OYZMDQQFZQPPOG-UHFFFAOYSA-N -1 3 399.436 0.738 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000823851099 608191002 /nfs/dbraw/zinc/19/10/02/608191002.db2.gz ZJOPEVOKPHSOQW-INIZCTEOSA-N -1 3 376.424 0.971 20 30 GCEDHM CC(=NNC(=S)NCCN1CCOCC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953648 609157084 /nfs/dbraw/zinc/15/70/84/609157084.db2.gz KCKMKXLWJFQZHG-UHFFFAOYSA-N -1 3 392.464 0.526 20 30 GCEDHM CC(=NNC(=S)NCCN1CCOCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953648 609157086 /nfs/dbraw/zinc/15/70/86/609157086.db2.gz KCKMKXLWJFQZHG-UHFFFAOYSA-N -1 3 392.464 0.526 20 30 GCEDHM C=CC[C@@H](CO)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823887985 609203607 /nfs/dbraw/zinc/20/36/07/609203607.db2.gz CJZSWIOKDRWNHK-CZUORRHYSA-N -1 3 399.455 0.846 20 30 GCEDHM C=CC[C@@H](CO)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823887985 609203609 /nfs/dbraw/zinc/20/36/09/609203609.db2.gz CJZSWIOKDRWNHK-CZUORRHYSA-N -1 3 399.455 0.846 20 30 GCEDHM C=CC[C@H](CO)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823887983 609203645 /nfs/dbraw/zinc/20/36/45/609203645.db2.gz CJZSWIOKDRWNHK-BBRMVZONSA-N -1 3 399.455 0.846 20 30 GCEDHM C=CC[C@H](CO)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823887983 609203647 /nfs/dbraw/zinc/20/36/47/609203647.db2.gz CJZSWIOKDRWNHK-BBRMVZONSA-N -1 3 399.455 0.846 20 30 GCEDHM N#Cc1cc(C(=O)N[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)c[nH]1 ZINC000826383671 609205661 /nfs/dbraw/zinc/20/56/61/609205661.db2.gz LCSAEJQEBBXZQK-CQSZACIVSA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1cc(C(=O)N[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)c[nH]1 ZINC000826383671 609205663 /nfs/dbraw/zinc/20/56/63/609205663.db2.gz LCSAEJQEBBXZQK-CQSZACIVSA-N -1 3 379.384 0.333 20 30 GCEDHM C=CCNC(=O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000823919703 609252442 /nfs/dbraw/zinc/25/24/42/609252442.db2.gz NPGHBNWCUBVMGB-UHFFFAOYSA-N -1 3 387.400 0.011 20 30 GCEDHM C=CCNC(=O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000823919703 609252444 /nfs/dbraw/zinc/25/24/44/609252444.db2.gz NPGHBNWCUBVMGB-UHFFFAOYSA-N -1 3 387.400 0.011 20 30 GCEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000826385224 609256879 /nfs/dbraw/zinc/25/68/79/609256879.db2.gz BYPQOICDJCVUQK-HNNXBMFYSA-N -1 3 393.411 0.729 20 30 GCEDHM N#Cc1ccc(N2CCC[C@H]2C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000826385224 609256880 /nfs/dbraw/zinc/25/68/80/609256880.db2.gz BYPQOICDJCVUQK-HNNXBMFYSA-N -1 3 393.411 0.729 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC(C)(C)C#N ZINC000824632753 609357859 /nfs/dbraw/zinc/35/78/59/609357859.db2.gz CZROENHPLSWDEU-SNVBAGLBSA-N -1 3 378.414 0.626 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(C)(C)C#N ZINC000824632753 609357861 /nfs/dbraw/zinc/35/78/61/609357861.db2.gz CZROENHPLSWDEU-SNVBAGLBSA-N -1 3 378.414 0.626 20 30 GCEDHM N#Cc1cnn(C(=O)[C@H]2CC[C@H](C(=O)n3ncc(-c4nnn[n-]4)c3N)CC2)c1N ZINC000826387683 609405092 /nfs/dbraw/zinc/40/50/92/609405092.db2.gz KNVQEAGXOKXLIF-KYZUINATSA-N -1 3 395.387 0.083 20 30 GCEDHM N#Cc1cc(C(=O)NCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)c[nH]1 ZINC000826383757 609453147 /nfs/dbraw/zinc/45/31/47/609453147.db2.gz OXWCLRSOQIZFMZ-UHFFFAOYSA-N -1 3 379.384 0.429 20 30 GCEDHM N#Cc1cc(C(=O)NCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)c[nH]1 ZINC000826383757 609453150 /nfs/dbraw/zinc/45/31/50/609453150.db2.gz OXWCLRSOQIZFMZ-UHFFFAOYSA-N -1 3 379.384 0.429 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826383922 609606847 /nfs/dbraw/zinc/60/68/47/609606847.db2.gz XPDPEDTZUIXAFU-CQSZACIVSA-N -1 3 376.380 0.992 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826383922 609606848 /nfs/dbraw/zinc/60/68/48/609606848.db2.gz XPDPEDTZUIXAFU-CQSZACIVSA-N -1 3 376.380 0.992 20 30 GCEDHM N#Cc1ccc([C@H](O)C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826384625 609629500 /nfs/dbraw/zinc/62/95/00/609629500.db2.gz COXWAWVUKONWHS-LSDHHAIUSA-N -1 3 378.348 0.542 20 30 GCEDHM N#Cc1ccc([C@H](O)C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826384625 609629501 /nfs/dbraw/zinc/62/95/01/609629501.db2.gz COXWAWVUKONWHS-LSDHHAIUSA-N -1 3 378.348 0.542 20 30 GCEDHM N#Cc1cccc(CNC(=O)COC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826386362 609630598 /nfs/dbraw/zinc/63/05/98/609630598.db2.gz AUQJSAFMRSOUKV-QGZVFWFLSA-N -1 3 392.375 0.631 20 30 GCEDHM N#Cc1cccc(CNC(=O)COC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826386362 609630599 /nfs/dbraw/zinc/63/05/99/609630599.db2.gz AUQJSAFMRSOUKV-QGZVFWFLSA-N -1 3 392.375 0.631 20 30 GCEDHM N#CCCN(CCC#N)C(=O)COC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826381235 609634938 /nfs/dbraw/zinc/63/49/38/609634938.db2.gz CUZBOJXFPMPWPP-HNNXBMFYSA-N -1 3 383.368 0.099 20 30 GCEDHM N#CCCN(CCC#N)C(=O)COC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826381235 609634940 /nfs/dbraw/zinc/63/49/40/609634940.db2.gz CUZBOJXFPMPWPP-HNNXBMFYSA-N -1 3 383.368 0.099 20 30 GCEDHM CNC(=O)CNC(=S)NN=Cc1cc(Br)c([O-])c(OC)c1 ZINC000731926882 639784926 /nfs/dbraw/zinc/78/49/26/639784926.db2.gz GHYCCSLULBPSDY-UHFFFAOYSA-N -1 3 375.248 0.707 20 30 GCEDHM CCOc1cc(C=NNC(=S)NCC(N)=O)cc(Br)c1[O-] ZINC000731930321 639785577 /nfs/dbraw/zinc/78/55/77/639785577.db2.gz VESMJECZNODNIK-UHFFFAOYSA-N -1 3 375.248 0.837 20 30 GCEDHM CC(C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)S(=O)(=O)C1CCOCC1 ZINC000788079234 640066684 /nfs/dbraw/zinc/06/66/84/640066684.db2.gz BQTHWBKYFPUSAO-NSHDSACASA-N -1 3 386.451 0.345 20 30 GCEDHM CC(C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)S(=O)(=O)C1CCOCC1 ZINC000788079232 640067171 /nfs/dbraw/zinc/06/71/71/640067171.db2.gz BQTHWBKYFPUSAO-LLVKDONJSA-N -1 3 386.451 0.345 20 30 GCEDHM O=C(NCC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C1N=CC=CC1=O ZINC000742294763 640241049 /nfs/dbraw/zinc/24/10/49/640241049.db2.gz CMGPBJOBOHEWSU-BUHFOSPRSA-N -1 3 375.328 0.909 20 30 GCEDHM C[C@H](CC(=O)N[C@H](C)CC[S@](C)=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000748369926 640324690 /nfs/dbraw/zinc/32/46/90/640324690.db2.gz HUVZWSQOXJXREP-FLXNLOQFSA-N -1 3 385.511 0.777 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CCS(C)(=O)=O)ccc1F ZINC000762200563 640603867 /nfs/dbraw/zinc/60/38/67/640603867.db2.gz ISNKXYYPMOHTCM-NSHDSACASA-N -1 3 392.474 0.843 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCS2(=O)=O)ccc1F ZINC000766349881 640695323 /nfs/dbraw/zinc/69/53/23/640695323.db2.gz JXGYBWWHNSRPJJ-GFCCVEGCSA-N -1 3 390.458 0.597 20 30 GCEDHM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000770102716 640794939 /nfs/dbraw/zinc/79/49/39/640794939.db2.gz XDJZYPNZPGGFQZ-OZVIIMIRSA-N -1 3 375.491 0.936 20 30 GCEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC)[C@@H]1CCCO1 ZINC000773056045 640854400 /nfs/dbraw/zinc/85/44/00/640854400.db2.gz LRFXPEDOXQMNGC-UWVGGRQHSA-N -1 3 387.435 0.780 20 30 GCEDHM C#CCOCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC ZINC000784451888 641286905 /nfs/dbraw/zinc/28/69/05/641286905.db2.gz MAWWVXNIVXURLU-UHFFFAOYSA-N -1 3 376.456 0.385 20 30 GCEDHM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867569341 641357474 /nfs/dbraw/zinc/35/74/74/641357474.db2.gz YHQPBSFUTZAPAO-SECBINFHSA-N -1 3 397.238 0.731 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000788909553 641379282 /nfs/dbraw/zinc/37/92/82/641379282.db2.gz UZMIEIHPDFVRBG-NSHDSACASA-N -1 3 391.442 0.882 20 30 GCEDHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CC(=O)NCC#N ZINC000796216194 641539791 /nfs/dbraw/zinc/53/97/91/641539791.db2.gz CQCWZYYLOOILGE-UHFFFAOYSA-N -1 3 380.195 0.515 20 30 GCEDHM C#CCC[C@H](O)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000798444147 641586355 /nfs/dbraw/zinc/58/63/55/641586355.db2.gz PILXZYWLHOVWAN-JTQLQIEISA-N -1 3 379.891 0.753 20 30 GCEDHM C#CCn1cc(C[N-]S(=O)(=O)N=[S@@](=O)(c2ccccc2)N(C)C)cn1 ZINC000882349790 641713199 /nfs/dbraw/zinc/71/31/99/641713199.db2.gz YKCIEWQIOIFYOD-DEOSSOPVSA-N -1 3 381.483 0.854 20 30 GCEDHM O=C(CN1C(=O)COc2cc(Br)ccc21)N[C@H]1CCCN([O-])C1=O ZINC000816756939 641864520 /nfs/dbraw/zinc/86/45/20/641864520.db2.gz ITZKLDHHIIGNBN-JTQLQIEISA-N -1 3 398.213 0.671 20 30 GCEDHM O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)N[C@H]1CCCN([O-])C1=O ZINC000816759913 641864571 /nfs/dbraw/zinc/86/45/71/641864571.db2.gz XIFISVPIEXYQHK-LBPRGKRZSA-N -1 3 377.369 0.130 20 30 GCEDHM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H]2CCCN([O-])C2=O)s1 ZINC000816756753 641864749 /nfs/dbraw/zinc/86/47/49/641864749.db2.gz DRIDZRUHUYITGI-NEPJUHHUSA-N -1 3 387.483 0.706 20 30 GCEDHM Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCCN([O-])C2=O)s1 ZINC000816756754 641864914 /nfs/dbraw/zinc/86/49/14/641864914.db2.gz DRIDZRUHUYITGI-NWDGAFQWSA-N -1 3 387.483 0.706 20 30 GCEDHM CCOC(=O)[C@@H]1CSCN1C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000819588332 641937181 /nfs/dbraw/zinc/93/71/81/641937181.db2.gz COQWQOAGCJONCS-NSHDSACASA-N -1 3 383.451 0.190 20 30 GCEDHM O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N[C@@H]1CCCN([O-])C1=O ZINC000820477355 641961296 /nfs/dbraw/zinc/96/12/96/641961296.db2.gz XZVOMWDJGUXRSG-LLVKDONJSA-N -1 3 396.197 0.542 20 30 GCEDHM O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N[C@H]1CCCN([O-])C1=O ZINC000820482305 641961509 /nfs/dbraw/zinc/96/15/09/641961509.db2.gz HHUICXJAASKKFM-LBPRGKRZSA-N -1 3 387.483 0.572 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000823931630 642032009 /nfs/dbraw/zinc/03/20/09/642032009.db2.gz BXQZEOSZWLJJIL-UHFFFAOYSA-N -1 3 381.483 0.817 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000823931630 642032012 /nfs/dbraw/zinc/03/20/12/642032012.db2.gz BXQZEOSZWLJJIL-UHFFFAOYSA-N -1 3 381.483 0.817 20 30 GCEDHM C#C[C@@H]([N-]S(=O)(=O)c1cnn(C)c1I)[C@H]1CCCO1 ZINC000867125202 642229861 /nfs/dbraw/zinc/22/98/61/642229861.db2.gz URIPULGFPPFHFN-RKDXNWHRSA-N -1 3 395.222 0.484 20 30 GCEDHM C#CC[C@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(=O)OC ZINC000841539869 642307787 /nfs/dbraw/zinc/30/77/87/642307787.db2.gz GIFYZWZVUOWRJJ-ZETCQYMHSA-N -1 3 385.872 0.648 20 30 GCEDHM C#CC[C@@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(=O)OC ZINC000841539867 642308276 /nfs/dbraw/zinc/30/82/76/642308276.db2.gz GIFYZWZVUOWRJJ-SSDOTTSWSA-N -1 3 385.872 0.648 20 30 GCEDHM Cn1ncc(S(=O)(=O)[N-][C@@H]2CC[C@H](C#N)C2)c1I ZINC000867429215 642491970 /nfs/dbraw/zinc/49/19/70/642491970.db2.gz YDLQOGCKQZBBLD-JGVFFNPUSA-N -1 3 380.211 0.995 20 30 GCEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000848137673 642528879 /nfs/dbraw/zinc/52/88/79/642528879.db2.gz FEIUCXWLPHRGJM-NWDGAFQWSA-N -1 3 387.483 0.788 20 30 GCEDHM C#CCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)F)cc1 ZINC000848943212 642558522 /nfs/dbraw/zinc/55/85/22/642558522.db2.gz PZSVRLZTIYXVIR-UHFFFAOYSA-N -1 3 388.364 0.777 20 30 GCEDHM C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc2c(n1)CCC2 ZINC000848961129 642584659 /nfs/dbraw/zinc/58/46/59/642584659.db2.gz PXFZUCVRJLODEP-ZDUSSCGKSA-N -1 3 385.511 0.985 20 30 GCEDHM C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1n[nH]cc1Br ZINC000848964926 642601484 /nfs/dbraw/zinc/60/14/84/642601484.db2.gz GSPXOIHFXVYHRG-MRVPVSSYSA-N -1 3 399.292 0.245 20 30 GCEDHM C#CC(C)(C)N(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1c[nH]nc1C ZINC000848969486 642620119 /nfs/dbraw/zinc/62/01/19/642620119.db2.gz ORNKFOQDVSNCKE-UHFFFAOYSA-N -1 3 376.504 0.913 20 30 GCEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(Br)ccc1-n1cnnn1 ZINC000854648656 642843078 /nfs/dbraw/zinc/84/30/78/642843078.db2.gz HIYXEHGIZBTSAG-SNVBAGLBSA-N -1 3 381.190 0.535 20 30 GCEDHM C[C@@](O)(CNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc(F)cc1 ZINC000759951233 1192395572 /nfs/dbraw/zinc/39/55/72/1192395572.db2.gz CLVPENUMRDJMMF-GOSISDBHSA-N -1 3 391.424 0.888 20 30 GCEDHM N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1 ZINC000549715257 1192861299 /nfs/dbraw/zinc/86/12/99/1192861299.db2.gz IEZVDPTURQEEOE-UHFFFAOYSA-N -1 3 390.421 0.968 20 30 GCEDHM COCc1noc([C@H](C)OC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000785025030 1185317651 /nfs/dbraw/zinc/31/76/51/1185317651.db2.gz VVXCCMNOCSXITI-VIFPVBQESA-N -1 3 380.382 0.559 20 30 GCEDHM CN(CC(=O)Nc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000477879830 1186153545 /nfs/dbraw/zinc/15/35/45/1186153545.db2.gz OVHKKWLFCRBZRP-UHFFFAOYSA-N -1 3 397.420 0.998 20 30 GCEDHM CN(CC(=O)Nc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000477879830 1186153550 /nfs/dbraw/zinc/15/35/50/1186153550.db2.gz OVHKKWLFCRBZRP-UHFFFAOYSA-N -1 3 397.420 0.998 20 30 GCEDHM C#CCNC(=O)CN1CCN(Cc2cc(=O)oc3cc([O-])c(CC)cc23)CC1 ZINC000728572931 1186911154 /nfs/dbraw/zinc/91/11/54/1186911154.db2.gz GFIJUVZREMJQEB-UHFFFAOYSA-N -1 3 383.448 0.928 20 30 GCEDHM N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C2=O)cc1 ZINC000365173803 1187495314 /nfs/dbraw/zinc/49/53/14/1187495314.db2.gz AIYWDQLKIJUDAC-KRWDZBQOSA-N -1 3 388.383 0.973 20 30 GCEDHM Cn1nccc1[C@H]1CCCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000376601434 1187968009 /nfs/dbraw/zinc/96/80/09/1187968009.db2.gz ZTJVMTFORIYHNR-ZDUSSCGKSA-N -1 3 387.465 0.865 20 30 GCEDHM COC(=O)[C@@H]1CCCCCN1C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000378559909 1189535533 /nfs/dbraw/zinc/53/55/33/1189535533.db2.gz ADXZIABFXKQGNN-ZDUSSCGKSA-N -1 3 379.438 0.669 20 30 GCEDHM O=C(CN1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1)NC1CC1 ZINC000330138592 1189747737 /nfs/dbraw/zinc/74/77/37/1189747737.db2.gz VQQBXANOIUAZON-UHFFFAOYSA-N -1 3 375.355 0.974 20 30 GCEDHM CCOC(=O)c1nnc(-c2cccc(CNS(=O)(=O)N(C)CCC#N)c2)[n-]1 ZINC000433458535 1193862711 /nfs/dbraw/zinc/86/27/11/1193862711.db2.gz UCHAYJPNAMBOMT-UHFFFAOYSA-N -1 3 392.441 0.828 20 30 GCEDHM CCOC(=O)c1nc(-c2cccc(CNS(=O)(=O)N(C)CCC#N)c2)n[n-]1 ZINC000433458535 1193862716 /nfs/dbraw/zinc/86/27/16/1193862716.db2.gz UCHAYJPNAMBOMT-UHFFFAOYSA-N -1 3 392.441 0.828 20 30 GCEDHM CS(=O)(=O)[N-]c1cncc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000502255828 1194288142 /nfs/dbraw/zinc/28/81/42/1194288142.db2.gz GPWWMCZOYFWPNW-UHFFFAOYSA-N -1 3 386.437 0.682 20 30 GCEDHM CCn1cc(C#N)c(=O)n(Cc2nc(=O)c3c(C)c(C(C)=O)sc3[n-]2)c1=O ZINC000502820119 1194360414 /nfs/dbraw/zinc/36/04/14/1194360414.db2.gz SNVHWNCTAYDTHK-UHFFFAOYSA-N -1 3 385.405 0.759 20 30 GCEDHM CN1CCCCCC1=NS(=O)(=O)c1ccc(NC(=O)[N-]OCC(N)=O)cc1 ZINC000273522372 1194569124 /nfs/dbraw/zinc/56/91/24/1194569124.db2.gz WSUAQPLURBZBBE-HKWRFOASSA-N -1 3 397.457 0.818 20 30 GCEDHM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc(C#N)cc3F)C2=O)n(C)n1 ZINC000514833981 1194918951 /nfs/dbraw/zinc/91/89/51/1194918951.db2.gz PZFSYJZOAJEDJR-CYBMUJFWSA-N -1 3 377.401 0.823 20 30 GCEDHM Cc1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)ncc1C#N ZINC000515388331 1194971165 /nfs/dbraw/zinc/97/11/65/1194971165.db2.gz YKRRYTSURYZCNP-UHFFFAOYSA-N -1 3 393.403 0.890 20 30 GCEDHM CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436485059 1195012052 /nfs/dbraw/zinc/01/20/52/1195012052.db2.gz FXVRUMNRRIDVNM-AWEZNQCLSA-N -1 3 380.470 0.876 20 30 GCEDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000427159504 1195511691 /nfs/dbraw/zinc/51/16/91/1195511691.db2.gz GJKYLSMIKAWCIX-SECBINFHSA-N -1 3 377.382 0.373 20 30 GCEDHM COc1ccc(NC(=O)NC[C@H]2CN(C)CCN2C)cc1[N-]S(C)(=O)=O ZINC000330756312 1195706354 /nfs/dbraw/zinc/70/63/54/1195706354.db2.gz ZFGOWDSVQDLIBL-ZDUSSCGKSA-N -1 3 385.490 0.638 20 30 GCEDHM CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000331247339 1195725423 /nfs/dbraw/zinc/72/54/23/1195725423.db2.gz VRYQLZFXINZIFT-CQSZACIVSA-N -1 3 380.470 0.876 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)ccc1F ZINC000281670557 1196321182 /nfs/dbraw/zinc/32/11/82/1196321182.db2.gz TUMQRMLUGSZFTN-UONOGXRCSA-N -1 3 399.488 0.817 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](CO)[C@@H]2CCOC2)ccc1F ZINC000281808555 1196335067 /nfs/dbraw/zinc/33/50/67/1196335067.db2.gz NHPTWIQGXFBDPU-ZIAGYGMSSA-N -1 3 386.445 0.665 20 30 GCEDHM COCCN(CCC#N)S(=O)(=O)[N-][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000281840166 1196339544 /nfs/dbraw/zinc/33/95/44/1196339544.db2.gz WTQWPIUHGLGZFQ-LLVKDONJSA-N -1 3 398.449 0.248 20 30 GCEDHM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000531547196 1197083628 /nfs/dbraw/zinc/08/36/28/1197083628.db2.gz ZMMHQCLZDQLQJH-ZDUSSCGKSA-N -1 3 380.408 0.521 20 30 GCEDHM Cc1nc(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)ccc1C#N ZINC000453581742 1197112119 /nfs/dbraw/zinc/11/21/19/1197112119.db2.gz ZOEUYELIGLZQFC-UHFFFAOYSA-N -1 3 393.403 0.890 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H]2C(=O)NC)ccc1F ZINC000765834428 1198992994 /nfs/dbraw/zinc/99/29/94/1198992994.db2.gz LLNMRUKVTXFABM-OCCSQVGLSA-N -1 3 383.445 0.935 20 30 GCEDHM COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000282359785 1199784823 /nfs/dbraw/zinc/78/48/23/1199784823.db2.gz PTYFRSVDFQAXEI-UHFFFAOYSA-N -1 3 396.469 0.257 20 30 GCEDHM N#Cc1cc([N+](=O)[O-])cnc1NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000440654575 1200684138 /nfs/dbraw/zinc/68/41/38/1200684138.db2.gz ZDDHNKANPLDCNF-UHFFFAOYSA-N -1 3 383.336 1.530 20 30 GCEDHM Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1ncccc1[O-] ZINC000473051955 1200968779 /nfs/dbraw/zinc/96/87/79/1200968779.db2.gz ZASHLSQSUZMMGS-UHFFFAOYSA-N -1 3 377.364 0.803 20 30 GCEDHM C#CCN1CCC[C@H](NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)C1 ZINC000923589783 1201170359 /nfs/dbraw/zinc/17/03/59/1201170359.db2.gz UOXJITSBMFQZPY-INIZCTEOSA-N -1 3 387.484 0.474 20 30 GCEDHM NC(=O)[C@H]1Cc2ccccc2N(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000727751750 1201365416 /nfs/dbraw/zinc/36/54/16/1201365416.db2.gz TZGFBNLRLZFEOQ-ZDUSSCGKSA-N -1 3 398.444 0.416 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)CCN2CCCC2=O)ccc1F ZINC000732974290 1201571560 /nfs/dbraw/zinc/57/15/60/1201571560.db2.gz WPTZQOMARMEQTC-UHFFFAOYSA-N -1 3 383.445 0.984 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCc1nnnn1C ZINC000733379586 1201587384 /nfs/dbraw/zinc/58/73/84/1201587384.db2.gz GDIUWCUZGZCHCU-LBPRGKRZSA-N -1 3 392.441 0.407 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000741142453 1201759700 /nfs/dbraw/zinc/75/97/00/1201759700.db2.gz APHPDPJQEZECER-SANMLTNESA-N -1 3 378.498 0.731 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NCCc1ccccc1[N+](=O)[O-] ZINC000742007610 1201788191 /nfs/dbraw/zinc/78/81/91/1201788191.db2.gz NMXYPGYAOBZGEB-UHFFFAOYSA-N -1 3 388.405 0.992 20 30 GCEDHM C[C@H](CC(=O)N1CCC[C@H]1C(=O)N(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742501059 1201798500 /nfs/dbraw/zinc/79/85/00/1201798500.db2.gz KCDJEISNFWKTQC-OCCSQVGLSA-N -1 3 392.481 0.583 20 30 GCEDHM C[C@H](CC(=O)N(C)CC(=O)NC1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742495313 1201798702 /nfs/dbraw/zinc/79/87/02/1201798702.db2.gz MIUMQJZNVPZOII-LLVKDONJSA-N -1 3 378.454 0.241 20 30 GCEDHM C[C@@H](CC(=O)NCCNC(=O)C1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742482613 1201799063 /nfs/dbraw/zinc/79/90/63/1201799063.db2.gz LACPFJZGMIMLDP-NSHDSACASA-N -1 3 378.454 0.146 20 30 GCEDHM CC(C)NC(=O)CCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742523649 1201799068 /nfs/dbraw/zinc/79/90/68/1201799068.db2.gz DFQUKEPTXLRTAC-LBPRGKRZSA-N -1 3 380.470 0.535 20 30 GCEDHM CC(=O)N1CCC(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000742488899 1201799101 /nfs/dbraw/zinc/79/91/01/1201799101.db2.gz HMTIOBSVMQJTRY-LBPRGKRZSA-N -1 3 392.481 0.631 20 30 GCEDHM C[C@H](CC(=O)N1CCC[C@@H](C(N)=O)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742483304 1201799218 /nfs/dbraw/zinc/79/92/18/1201799218.db2.gz UQWJHRVBDOBNIG-VXGBXAGGSA-N -1 3 378.454 0.228 20 30 GCEDHM C[C@H](CC(=O)N[C@@H](C)CN1CCOCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742542619 1201800009 /nfs/dbraw/zinc/80/00/09/1201800009.db2.gz WLJJQPUEMSHUNE-KGLIPLIRSA-N -1 3 394.497 0.341 20 30 GCEDHM C[C@H](CC(=O)N[C@H](C)c1nncn1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742543301 1201800186 /nfs/dbraw/zinc/80/01/86/1201800186.db2.gz FIVSOZXIRXEMGK-GHMZBOCLSA-N -1 3 376.442 0.510 20 30 GCEDHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742592672 1201801653 /nfs/dbraw/zinc/80/16/53/1201801653.db2.gz VQYDHFTYEHVBRY-XQQFMLRXSA-N -1 3 394.497 0.923 20 30 GCEDHM COCCn1ccc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000742613769 1201802784 /nfs/dbraw/zinc/80/27/84/1201802784.db2.gz WYOMYNQQLQLCCY-GFCCVEGCSA-N -1 3 391.453 0.985 20 30 GCEDHM C[C@H](CC(=O)NCCN1CCO[C@H](C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742609203 1201802870 /nfs/dbraw/zinc/80/28/70/1201802870.db2.gz PJSUQWZWFQFKET-ZIAGYGMSSA-N -1 3 394.497 0.341 20 30 GCEDHM C[C@H](CC(=O)NCc1nncn1C1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742645408 1201802924 /nfs/dbraw/zinc/80/29/24/1201802924.db2.gz SKMJGDRRWUYVRS-LLVKDONJSA-N -1 3 388.453 0.747 20 30 GCEDHM C[C@@H](CC(=O)NCc1nncn1C1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742645409 1201803038 /nfs/dbraw/zinc/80/30/38/1201803038.db2.gz SKMJGDRRWUYVRS-NSHDSACASA-N -1 3 388.453 0.747 20 30 GCEDHM C[C@H](CC(=O)N(C)Cc1nccn1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742631524 1201803387 /nfs/dbraw/zinc/80/33/87/1201803387.db2.gz XSCZUZMMEXLTRP-GFCCVEGCSA-N -1 3 375.454 0.896 20 30 GCEDHM C[C@@H](CC(=O)N1CCNC(=O)C1(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742630365 1201803615 /nfs/dbraw/zinc/80/36/15/1201803615.db2.gz CJECDDKIFJHMPG-NSHDSACASA-N -1 3 378.454 0.241 20 30 GCEDHM CC(C)n1cnnc1CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742642930 1201804147 /nfs/dbraw/zinc/80/41/47/1201804147.db2.gz UWSXKFGSQVWDOO-LBPRGKRZSA-N -1 3 390.469 0.993 20 30 GCEDHM C[C@@H](CC(=O)NCC1N=NC(=S)N1C)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000742638356 1201804203 /nfs/dbraw/zinc/80/42/03/1201804203.db2.gz BUUISFUGRNJLDC-VIFPVBQESA-N -1 3 394.482 0.237 20 30 GCEDHM C[C@@H](CC(=O)N(C)CCN1CCCC1=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742668930 1201804491 /nfs/dbraw/zinc/80/44/91/1201804491.db2.gz DUPPWSYAGBJENS-ZDUSSCGKSA-N -1 3 392.481 0.585 20 30 GCEDHM CCOC(=O)CN(CC)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742673216 1201804729 /nfs/dbraw/zinc/80/47/29/1201804729.db2.gz YTWFSJXSMIHKJR-GFCCVEGCSA-N -1 3 381.454 0.915 20 30 GCEDHM C[C@@H](CC(=O)N1CCCS(=O)(=O)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742659875 1201804829 /nfs/dbraw/zinc/80/48/29/1201804829.db2.gz RAZUYHBAJGDMIY-LBPRGKRZSA-N -1 3 399.494 0.151 20 30 GCEDHM COC(=O)CN(CC#N)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742695798 1201806003 /nfs/dbraw/zinc/80/60/03/1201806003.db2.gz YGMJPAOKQZDYEY-NSHDSACASA-N -1 3 378.410 0.029 20 30 GCEDHM C[C@@H](CC(=O)NCc1nnnn1C1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742850824 1201809204 /nfs/dbraw/zinc/80/92/04/1201809204.db2.gz LYUJMAHQMNTEPB-JTQLQIEISA-N -1 3 389.441 0.142 20 30 GCEDHM C[C@@H](CC(=O)Nc1nn2cnnc2s1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743299147 1201816002 /nfs/dbraw/zinc/81/60/02/1201816002.db2.gz FHBAFFWALPKLPX-QMMMGPOBSA-N -1 3 391.438 0.642 20 30 GCEDHM C[C@@H](CC(=O)NCC1(O)CCOCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743760247 1201823315 /nfs/dbraw/zinc/82/33/15/1201823315.db2.gz MZXNVXIFINSVCF-LBPRGKRZSA-N -1 3 381.454 0.161 20 30 GCEDHM C[C@H](CC(=O)NCC1(O)CCOCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743760244 1201823396 /nfs/dbraw/zinc/82/33/96/1201823396.db2.gz MZXNVXIFINSVCF-GFCCVEGCSA-N -1 3 381.454 0.161 20 30 GCEDHM CC#CCOC(=O)[C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000744543028 1201846829 /nfs/dbraw/zinc/84/68/29/1201846829.db2.gz QNZQBEXHVYPCSJ-DKGMDFAASA-N -1 3 399.490 0.947 20 30 GCEDHM C[C@H](CC(=O)OCC(=O)N(C)C1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745498176 1201879458 /nfs/dbraw/zinc/87/94/58/1201879458.db2.gz YYWFLSHTUONRJG-LLVKDONJSA-N -1 3 379.438 0.668 20 30 GCEDHM C[C@@H](CC(=O)OCC(=O)c1cnn(C)c1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000745498543 1201880465 /nfs/dbraw/zinc/88/04/65/1201880465.db2.gz XSUVGZWADAZITK-NSHDSACASA-N -1 3 390.421 0.663 20 30 GCEDHM C[C@H](CC(=O)Nc1nc(N(C)C)n[nH]1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000804277394 1201924046 /nfs/dbraw/zinc/92/40/46/1201924046.db2.gz CESIPWPPPOUXHC-SECBINFHSA-N -1 3 377.430 0.327 20 30 GCEDHM C[C@H](CC(=O)Nc1ccc(C(N)=O)nc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000767089534 1201966209 /nfs/dbraw/zinc/96/62/09/1201966209.db2.gz RQGYLOFVKJSVJB-SNVBAGLBSA-N -1 3 387.421 0.636 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NCCc1cn2c(n1)SCC2 ZINC000767208581 1201968199 /nfs/dbraw/zinc/96/81/99/1201968199.db2.gz HCWQZMGIZPREAP-UHFFFAOYSA-N -1 3 391.478 0.386 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)ccc1F ZINC000770234733 1202089514 /nfs/dbraw/zinc/08/95/14/1202089514.db2.gz JXJUDQZTXFIOJS-WFASDCNBSA-N -1 3 385.461 0.739 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H]2CN(C)CCO2)ccc1F ZINC000770234731 1202089911 /nfs/dbraw/zinc/08/99/11/1202089911.db2.gz JXJUDQZTXFIOJS-IUODEOHRSA-N -1 3 385.461 0.739 20 30 GCEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NN1CCCC1=O ZINC000770545480 1202103786 /nfs/dbraw/zinc/10/37/86/1202103786.db2.gz JUADOSAXFAEZDJ-CYBMUJFWSA-N -1 3 378.454 0.938 20 30 GCEDHM COC(=O)N1CC(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000771091580 1202124550 /nfs/dbraw/zinc/12/45/50/1202124550.db2.gz NDVWLTIWNCDZSV-JTQLQIEISA-N -1 3 380.426 0.071 20 30 GCEDHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)O[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000787591739 1205393081 /nfs/dbraw/zinc/39/30/81/1205393081.db2.gz XGEXXGANNNREQM-LLVKDONJSA-N -1 3 384.414 0.064 20 30 GCEDHM C[C@H](CC(=O)N[C@H](C)c1ncnn1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000789266049 1205438078 /nfs/dbraw/zinc/43/80/78/1205438078.db2.gz YDFCWXHXZOQNFX-GHMZBOCLSA-N -1 3 376.442 0.510 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)NCC(=O)[N-]N2C(=O)c3ccccc3C2=O)cc1 ZINC000789765861 1205446631 /nfs/dbraw/zinc/44/66/31/1205446631.db2.gz HIHJKPFKRWFAJC-UHFFFAOYSA-N -1 3 384.373 0.164 20 30 GCEDHM CCN(C)C(=O)[C@H](C)NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000789874108 1205450223 /nfs/dbraw/zinc/45/02/23/1205450223.db2.gz AHLCTAOCHGKHIM-RYUDHWBXSA-N -1 3 380.470 0.487 20 30 GCEDHM C[C@H](CC(=O)N1CCn2cnnc2[C@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000791159892 1205474172 /nfs/dbraw/zinc/47/41/72/1205474172.db2.gz UERXLZBRKXPTCN-VXGBXAGGSA-N -1 3 388.453 0.699 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OC[C@H]1CC2(CCC2)C(=O)O1 ZINC000791273832 1205475726 /nfs/dbraw/zinc/47/57/26/1205475726.db2.gz CGZXEUBUFJVTCA-LLVKDONJSA-N -1 3 378.406 0.754 20 30 GCEDHM C[C@H](CC(=O)NCc1nc(N(C)C)no1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000793850468 1205507855 /nfs/dbraw/zinc/50/78/55/1205507855.db2.gz IQMWOWXKXBBPJM-SNVBAGLBSA-N -1 3 392.441 0.269 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CC(O)(CC#N)C1 ZINC000793870784 1205508561 /nfs/dbraw/zinc/50/85/61/1205508561.db2.gz WBGIACSZIIUPFY-AWEZNQCLSA-N -1 3 390.465 0.627 20 30 GCEDHM CCn1ncnc1CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000794231386 1205512438 /nfs/dbraw/zinc/51/24/38/1205512438.db2.gz BNRZRDQTKQERKP-LLVKDONJSA-N -1 3 376.442 0.432 20 30 GCEDHM C[C@H](CC(=O)N1CC[C@](C)(C(N)=O)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000794361756 1205513736 /nfs/dbraw/zinc/51/37/36/1205513736.db2.gz SQXOIXLEIXZSLP-DIFFPNOSSA-N -1 3 378.454 0.228 20 30 GCEDHM COC(=O)C1(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CCC1 ZINC000747482035 1205605333 /nfs/dbraw/zinc/60/53/33/1205605333.db2.gz ASVPYRRUPNYUIE-NSHDSACASA-N -1 3 379.438 0.716 20 30 GCEDHM CN1C(=O)c2ccccc2[C@@H]1CNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001132200501 1205635758 /nfs/dbraw/zinc/63/57/58/1205635758.db2.gz NIHDFXUXWNAPIB-HNNXBMFYSA-N -1 3 398.444 0.668 20 30 GCEDHM O=C(CN=C1[N-]S(=O)(=O)c2ccccc21)NC[C@H]1CC(=O)c2ccccc2O1 ZINC001132361882 1205640666 /nfs/dbraw/zinc/64/06/66/1205640666.db2.gz RMDGOKRNQZMADL-GFCCVEGCSA-N -1 3 399.428 0.875 20 30 GCEDHM COCC[C@@H]1COCCN1C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000812744165 1205668230 /nfs/dbraw/zinc/66/82/30/1205668230.db2.gz KBOQKRSBNOAQMU-ZIAGYGMSSA-N -1 3 395.481 0.768 20 30 GCEDHM CCOC(=O)c1cn(C)cc1NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001134171920 1205688571 /nfs/dbraw/zinc/68/85/71/1205688571.db2.gz AXBDRJGWZKUCIQ-UHFFFAOYSA-N -1 3 390.421 0.879 20 30 GCEDHM C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(Cc3nnn[n-]3)CC2)cc1 ZINC001176775964 1205753199 /nfs/dbraw/zinc/75/31/99/1205753199.db2.gz WVWXTLMLYSMUPJ-UHFFFAOYSA-N -1 3 388.453 0.206 20 30 GCEDHM C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(Cc3nn[n-]n3)CC2)cc1 ZINC001176775964 1205753201 /nfs/dbraw/zinc/75/32/01/1205753201.db2.gz WVWXTLMLYSMUPJ-UHFFFAOYSA-N -1 3 388.453 0.206 20 30 GCEDHM CCOC(=O)c1cc(C#N)c(NC(=O)Cn2cc(F)c(=O)[n-]c2=O)c(C)c1O ZINC001183661313 1205898243 /nfs/dbraw/zinc/89/82/43/1205898243.db2.gz RYKQMFMVSCXILG-UHFFFAOYSA-N -1 3 390.327 0.789 20 30 GCEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc(=O)n(C)c(=O)n2C)c(C)c1[O-] ZINC001189429512 1206005739 /nfs/dbraw/zinc/00/57/39/1206005739.db2.gz COZMQIBESSUBGH-UHFFFAOYSA-N -1 3 386.364 0.399 20 30 GCEDHM CC(C)(C)OC(=O)N1C[C@H](O)[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2F)C1 ZINC001190663696 1206040494 /nfs/dbraw/zinc/04/04/94/1206040494.db2.gz YYXGFIQCELWXHY-STQMWFEESA-N -1 3 385.417 0.956 20 30 GCEDHM COCCC1([N-]S(=O)(=O)c2cc(C#N)ccc2F)CCS(=O)(=O)CC1 ZINC001190677247 1206043180 /nfs/dbraw/zinc/04/31/80/1206043180.db2.gz LTLBYQLRMAKENI-UHFFFAOYSA-N -1 3 390.458 0.960 20 30 GCEDHM C#CCNC(=O)c1ccc(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nc1 ZINC000735381086 944641760 /nfs/dbraw/zinc/64/17/60/944641760.db2.gz LRHACEIRHZWLOU-UHFFFAOYSA-N -1 3 389.423 0.346 20 30 GCEDHM C#CCNC(=O)c1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nc1 ZINC000735381086 944641765 /nfs/dbraw/zinc/64/17/65/944641765.db2.gz LRHACEIRHZWLOU-UHFFFAOYSA-N -1 3 389.423 0.346 20 30 GCEDHM CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1=O ZINC000736397705 944812542 /nfs/dbraw/zinc/81/25/42/944812542.db2.gz UVIWYOGQOOWLDV-UHFFFAOYSA-N -1 3 382.384 0.787 20 30 GCEDHM CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1=O ZINC000736397705 944812548 /nfs/dbraw/zinc/81/25/48/944812548.db2.gz UVIWYOGQOOWLDV-UHFFFAOYSA-N -1 3 382.384 0.787 20 30 GCEDHM C[C@H](CC#N)N(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820443968 945450534 /nfs/dbraw/zinc/45/05/34/945450534.db2.gz CKBCGJPYOARODX-MNOVXSKESA-N -1 3 377.430 0.294 20 30 GCEDHM C[C@H](CC#N)N(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820443968 945450538 /nfs/dbraw/zinc/45/05/38/945450538.db2.gz CKBCGJPYOARODX-MNOVXSKESA-N -1 3 377.430 0.294 20 30 GCEDHM C[C@H](CC#N)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820443967 945451101 /nfs/dbraw/zinc/45/11/01/945451101.db2.gz CKBCGJPYOARODX-GHMZBOCLSA-N -1 3 377.430 0.294 20 30 GCEDHM C[C@H](CC#N)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820443967 945451106 /nfs/dbraw/zinc/45/11/06/945451106.db2.gz CKBCGJPYOARODX-GHMZBOCLSA-N -1 3 377.430 0.294 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCN(C2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)CC1 ZINC001571272060 945654074 /nfs/dbraw/zinc/65/40/74/945654074.db2.gz OAKSVIXZDKSZNT-LBPRGKRZSA-N -1 3 386.485 0.416 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCN(C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CC1 ZINC001571272060 945654080 /nfs/dbraw/zinc/65/40/80/945654080.db2.gz OAKSVIXZDKSZNT-LBPRGKRZSA-N -1 3 386.485 0.416 20 30 GCEDHM N#Cc1cncc(N2CCC3(C[C@H]3NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)n1 ZINC001571295905 946179745 /nfs/dbraw/zinc/17/97/45/946179745.db2.gz IYRUSTXELIBDCA-CQSZACIVSA-N -1 3 390.411 0.645 20 30 GCEDHM N#Cc1cncc(N2CCC3(C[C@H]3NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)n1 ZINC001571295905 946179761 /nfs/dbraw/zinc/17/97/61/946179761.db2.gz IYRUSTXELIBDCA-CQSZACIVSA-N -1 3 390.411 0.645 20 30 GCEDHM COC(=O)C1(C#N)CCN(S(=O)(=O)c2ccc(C)cc2-c2nnn[n-]2)CC1 ZINC001571296074 946185351 /nfs/dbraw/zinc/18/53/51/946185351.db2.gz MVUPXWIBDSTIKW-UHFFFAOYSA-N -1 3 390.425 0.643 20 30 GCEDHM COC(=O)C1(C#N)CCN(S(=O)(=O)c2ccc(C)cc2-c2nn[n-]n2)CC1 ZINC001571296074 946185356 /nfs/dbraw/zinc/18/53/56/946185356.db2.gz MVUPXWIBDSTIKW-UHFFFAOYSA-N -1 3 390.425 0.643 20 30 GCEDHM N#Cc1ccc(N2CCN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)CC2)cn1 ZINC000822830180 946198807 /nfs/dbraw/zinc/19/88/07/946198807.db2.gz WMZQABBYDJOADR-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM N#Cc1ccc(N2CCN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)CC2)cn1 ZINC000822830180 946198815 /nfs/dbraw/zinc/19/88/15/946198815.db2.gz WMZQABBYDJOADR-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM C#CCN1CCN(C(=O)CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC000823849854 946491540 /nfs/dbraw/zinc/49/15/40/946491540.db2.gz AZULFFCNJUABDE-SFHVURJKSA-N -1 3 395.467 0.017 20 30 GCEDHM C#CCN1CCN(C(=O)CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000823849854 946491549 /nfs/dbraw/zinc/49/15/49/946491549.db2.gz AZULFFCNJUABDE-SFHVURJKSA-N -1 3 395.467 0.017 20 30 GCEDHM Cc1cc(C#N)nc(N2CCC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H]2C)n1 ZINC001571312580 946495806 /nfs/dbraw/zinc/49/58/06/946495806.db2.gz HYKUNGASSXALGG-RISCZKNCSA-N -1 3 392.427 0.952 20 30 GCEDHM Cc1cc(C#N)nc(N2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)n1 ZINC001571312580 946495816 /nfs/dbraw/zinc/49/58/16/946495816.db2.gz HYKUNGASSXALGG-RISCZKNCSA-N -1 3 392.427 0.952 20 30 GCEDHM CC1(C)CN(c2cncc(C#N)n2)CC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571313139 946514092 /nfs/dbraw/zinc/51/40/92/946514092.db2.gz ORRXWOMOEWAELV-AWEZNQCLSA-N -1 3 392.427 0.891 20 30 GCEDHM CC1(C)CN(c2cncc(C#N)n2)CC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571313139 946514099 /nfs/dbraw/zinc/51/40/99/946514099.db2.gz ORRXWOMOEWAELV-AWEZNQCLSA-N -1 3 392.427 0.891 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000823932087 946521260 /nfs/dbraw/zinc/52/12/60/946521260.db2.gz NZUJMJYHLOFGAT-HNNXBMFYSA-N -1 3 393.469 0.987 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000823932087 946521265 /nfs/dbraw/zinc/52/12/65/946521265.db2.gz NZUJMJYHLOFGAT-HNNXBMFYSA-N -1 3 393.469 0.987 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823932103 946522016 /nfs/dbraw/zinc/52/20/16/946522016.db2.gz ONLITMJVUJYFII-UHFFFAOYSA-N -1 3 380.430 0.146 20 30 GCEDHM Cc1cc(C#N)nc(N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C)n1 ZINC001571313913 946536857 /nfs/dbraw/zinc/53/68/57/946536857.db2.gz XIGPECHKXFIUSV-NEPJUHHUSA-N -1 3 392.427 0.952 20 30 GCEDHM Cc1cc(C#N)nc(N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)n1 ZINC001571313913 946536866 /nfs/dbraw/zinc/53/68/66/946536866.db2.gz XIGPECHKXFIUSV-NEPJUHHUSA-N -1 3 392.427 0.952 20 30 GCEDHM CN(C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1nccnc1C#N ZINC001571313982 946537540 /nfs/dbraw/zinc/53/75/40/946537540.db2.gz YNMXISJMJSCTJC-GFCCVEGCSA-N -1 3 392.427 0.845 20 30 GCEDHM CN(C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1nccnc1C#N ZINC001571313982 946537544 /nfs/dbraw/zinc/53/75/44/946537544.db2.gz YNMXISJMJSCTJC-GFCCVEGCSA-N -1 3 392.427 0.845 20 30 GCEDHM CC(C)(C#N)OC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824059265 946572976 /nfs/dbraw/zinc/57/29/76/946572976.db2.gz RFAUSQCPCBESDD-GFCCVEGCSA-N -1 3 383.368 0.917 20 30 GCEDHM CC(C)(C#N)OC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824059265 946572980 /nfs/dbraw/zinc/57/29/80/946572980.db2.gz RFAUSQCPCBESDD-GFCCVEGCSA-N -1 3 383.368 0.917 20 30 GCEDHM C#CCCCCC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573283260 946710741 /nfs/dbraw/zinc/71/07/41/946710741.db2.gz GSCNLJVWCDLTNK-AWEZNQCLSA-N -1 3 385.428 0.346 20 30 GCEDHM C#CCCCCC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573283260 946710748 /nfs/dbraw/zinc/71/07/48/946710748.db2.gz GSCNLJVWCDLTNK-AWEZNQCLSA-N -1 3 385.428 0.346 20 30 GCEDHM C#CCN(C(=O)Cc1cc[nH]n1)C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573283758 946725924 /nfs/dbraw/zinc/72/59/24/946725924.db2.gz VLKKGQVNGODGOB-UHFFFAOYSA-N -1 3 391.439 0.658 20 30 GCEDHM C#CCCCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573284526 946750874 /nfs/dbraw/zinc/75/08/74/946750874.db2.gz FPTWJHXUEATDHF-SWLSCSKDSA-N -1 3 385.428 0.344 20 30 GCEDHM C#CCCCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573284526 946750882 /nfs/dbraw/zinc/75/08/82/946750882.db2.gz FPTWJHXUEATDHF-SWLSCSKDSA-N -1 3 385.428 0.344 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)N(CC)c1ccc(-c2nnn[n-]2)nc1 ZINC001573284951 946762571 /nfs/dbraw/zinc/76/25/71/946762571.db2.gz AXHORDQQZVGCIN-PBHICJAKSA-N -1 3 382.472 0.690 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)N(CC)c1ccc(-c2nn[n-]n2)nc1 ZINC001573284951 946762579 /nfs/dbraw/zinc/76/25/79/946762579.db2.gz AXHORDQQZVGCIN-PBHICJAKSA-N -1 3 382.472 0.690 20 30 GCEDHM C#CCCCC(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573285129 946767552 /nfs/dbraw/zinc/76/75/52/946767552.db2.gz SFJRAQIXMHKMEW-UHFFFAOYSA-N -1 3 383.456 0.821 20 30 GCEDHM C#CCCCC(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573285129 946767561 /nfs/dbraw/zinc/76/75/61/946767561.db2.gz SFJRAQIXMHKMEW-UHFFFAOYSA-N -1 3 383.456 0.821 20 30 GCEDHM C#CCCCC(=O)N1CCO[C@](C)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573285123 946767635 /nfs/dbraw/zinc/76/76/35/946767635.db2.gz SEYSGLCBDUSEHX-GOSISDBHSA-N -1 3 385.428 0.346 20 30 GCEDHM C#CCCCC(=O)N1CCO[C@](C)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573285123 946767642 /nfs/dbraw/zinc/76/76/42/946767642.db2.gz SEYSGLCBDUSEHX-GOSISDBHSA-N -1 3 385.428 0.346 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)cn1 ZINC001573285702 946784908 /nfs/dbraw/zinc/78/49/08/946784908.db2.gz LLBZMOBFUDWJDQ-IMJJTQAJSA-N -1 3 381.440 0.870 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cn1 ZINC001573285702 946784913 /nfs/dbraw/zinc/78/49/13/946784913.db2.gz LLBZMOBFUDWJDQ-IMJJTQAJSA-N -1 3 381.440 0.870 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NCC1(Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573286026 946793082 /nfs/dbraw/zinc/79/30/82/946793082.db2.gz RUORQODQYSZEEG-LBPRGKRZSA-N -1 3 386.485 0.790 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573286026 946793086 /nfs/dbraw/zinc/79/30/86/946793086.db2.gz RUORQODQYSZEEG-LBPRGKRZSA-N -1 3 386.485 0.790 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573286048 946794058 /nfs/dbraw/zinc/79/40/58/946794058.db2.gz SJFRDSJKTGQICH-ZFWWWQNUSA-N -1 3 384.419 0.193 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573286048 946794066 /nfs/dbraw/zinc/79/40/66/946794066.db2.gz SJFRDSJKTGQICH-ZFWWWQNUSA-N -1 3 384.419 0.193 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001573286105 946794731 /nfs/dbraw/zinc/79/47/31/946794731.db2.gz UEACXDMZJVCHEX-YOEHRIQHSA-N -1 3 380.456 0.444 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001573286105 946794740 /nfs/dbraw/zinc/79/47/40/946794740.db2.gz UEACXDMZJVCHEX-YOEHRIQHSA-N -1 3 380.456 0.444 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N(C)CCCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573286153 946796164 /nfs/dbraw/zinc/79/61/64/946796164.db2.gz UYBLFTRNORRTTM-HNNXBMFYSA-N -1 3 383.460 0.323 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N(C)CCCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573286153 946796166 /nfs/dbraw/zinc/79/61/66/946796166.db2.gz UYBLFTRNORRTTM-HNNXBMFYSA-N -1 3 383.460 0.323 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](C)C1 ZINC001573286379 946805667 /nfs/dbraw/zinc/80/56/67/946805667.db2.gz ABNIENCDYLMNOK-OCCSQVGLSA-N -1 3 385.428 0.202 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](C)C1 ZINC001573286379 946805674 /nfs/dbraw/zinc/80/56/74/946805674.db2.gz ABNIENCDYLMNOK-OCCSQVGLSA-N -1 3 385.428 0.202 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573286455 946808522 /nfs/dbraw/zinc/80/85/22/946808522.db2.gz CBOGMWGURHIQNY-FZMZJTMJSA-N -1 3 387.444 0.494 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573286455 946808531 /nfs/dbraw/zinc/80/85/31/946808531.db2.gz CBOGMWGURHIQNY-FZMZJTMJSA-N -1 3 387.444 0.494 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573286457 946808821 /nfs/dbraw/zinc/80/88/21/946808821.db2.gz CBOGMWGURHIQNY-SMDDNHRTSA-N -1 3 387.444 0.494 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573286457 946808829 /nfs/dbraw/zinc/80/88/29/946808829.db2.gz CBOGMWGURHIQNY-SMDDNHRTSA-N -1 3 387.444 0.494 20 30 GCEDHM C#CCOCCC(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001573286670 946814867 /nfs/dbraw/zinc/81/48/67/946814867.db2.gz HFGVMCHVVMDDQM-VQIMIIECSA-N -1 3 381.440 0.919 20 30 GCEDHM C#CCOCCC(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001573286670 946814881 /nfs/dbraw/zinc/81/48/81/946814881.db2.gz HFGVMCHVVMDDQM-VQIMIIECSA-N -1 3 381.440 0.919 20 30 GCEDHM C#CCOCCC(=O)N1CCO[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573286775 946819241 /nfs/dbraw/zinc/81/92/41/946819241.db2.gz ILJFSAKYHZLDII-ZDUSSCGKSA-N -1 3 389.391 0.080 20 30 GCEDHM C#CCOCCC(=O)N1CCO[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573286775 946819255 /nfs/dbraw/zinc/81/92/55/946819255.db2.gz ILJFSAKYHZLDII-ZDUSSCGKSA-N -1 3 389.391 0.080 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573287014 946823822 /nfs/dbraw/zinc/82/38/22/946823822.db2.gz KJYVKDDISIQNJY-CYBMUJFWSA-N -1 3 385.428 0.203 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573287014 946823835 /nfs/dbraw/zinc/82/38/35/946823835.db2.gz KJYVKDDISIQNJY-CYBMUJFWSA-N -1 3 385.428 0.203 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nc1 ZINC001573287184 946828798 /nfs/dbraw/zinc/82/87/98/946828798.db2.gz GIVRARUTTIGERJ-SMDDNHRTSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nc1 ZINC001573287184 946828811 /nfs/dbraw/zinc/82/88/11/946828811.db2.gz GIVRARUTTIGERJ-SMDDNHRTSA-N -1 3 390.407 0.604 20 30 GCEDHM C#CCOCCC(=O)N1CCCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573287279 946832749 /nfs/dbraw/zinc/83/27/49/946832749.db2.gz MRTGIRVQCVCGEI-CQSZACIVSA-N -1 3 385.428 0.346 20 30 GCEDHM C#CCOCCC(=O)N1CCCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573287279 946832753 /nfs/dbraw/zinc/83/27/53/946832753.db2.gz MRTGIRVQCVCGEI-CQSZACIVSA-N -1 3 385.428 0.346 20 30 GCEDHM C#CCOCCC(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001573287241 946832920 /nfs/dbraw/zinc/83/29/20/946832920.db2.gz MNJLQPPILQOEQB-AWEZNQCLSA-N -1 3 385.428 0.202 20 30 GCEDHM C#CCOCCC(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573287241 946832931 /nfs/dbraw/zinc/83/29/31/946832931.db2.gz MNJLQPPILQOEQB-AWEZNQCLSA-N -1 3 385.428 0.202 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573288183 946860343 /nfs/dbraw/zinc/86/03/43/946860343.db2.gz SGXZMIQVCRNTLT-JSGCOSHPSA-N -1 3 387.419 0.914 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573288183 946860354 /nfs/dbraw/zinc/86/03/54/946860354.db2.gz SGXZMIQVCRNTLT-JSGCOSHPSA-N -1 3 387.419 0.914 20 30 GCEDHM C#Cc1ccc(C(=O)NCCCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001573289073 946883565 /nfs/dbraw/zinc/88/35/65/946883565.db2.gz WSGBAIKVJHTUBK-UHFFFAOYSA-N -1 3 378.396 0.463 20 30 GCEDHM C#Cc1ccc(C(=O)NCCCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001573289073 946883572 /nfs/dbraw/zinc/88/35/72/946883572.db2.gz WSGBAIKVJHTUBK-UHFFFAOYSA-N -1 3 378.396 0.463 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@H](O)CNc2snc(C)c2-c2nnn[n-]2)nc1 ZINC001573289502 946886872 /nfs/dbraw/zinc/88/68/72/946886872.db2.gz ZRASHZLSFZDFTH-NSHDSACASA-N -1 3 384.425 0.211 20 30 GCEDHM C#CCOCCC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573289650 946887895 /nfs/dbraw/zinc/88/78/95/946887895.db2.gz OVIYLYWJPARIHR-OCCSQVGLSA-N -1 3 385.428 0.249 20 30 GCEDHM C#CCOCCC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573289650 946887914 /nfs/dbraw/zinc/88/79/14/946887914.db2.gz OVIYLYWJPARIHR-OCCSQVGLSA-N -1 3 385.428 0.249 20 30 GCEDHM C#Cc1ccccc1CC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573289659 946888045 /nfs/dbraw/zinc/88/80/45/946888045.db2.gz APZNHLDEKGUXSY-MRXNPFEDSA-N -1 3 389.419 0.750 20 30 GCEDHM C#Cc1ccccc1CC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573289659 946888050 /nfs/dbraw/zinc/88/80/50/946888050.db2.gz APZNHLDEKGUXSY-MRXNPFEDSA-N -1 3 389.419 0.750 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2C)nc1 ZINC001573289664 946888914 /nfs/dbraw/zinc/88/89/14/946888914.db2.gz ARAVMMFKBFQGQB-BDJLRTHQSA-N -1 3 390.407 0.462 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C)nc1 ZINC001573289664 946888931 /nfs/dbraw/zinc/88/89/31/946888931.db2.gz ARAVMMFKBFQGQB-BDJLRTHQSA-N -1 3 390.407 0.462 20 30 GCEDHM C#CCOCCC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573289652 946889994 /nfs/dbraw/zinc/88/99/94/946889994.db2.gz OVIYLYWJPARIHR-TZMCWYRMSA-N -1 3 385.428 0.249 20 30 GCEDHM C#CCOCCC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573289652 946890014 /nfs/dbraw/zinc/89/00/14/946890014.db2.gz OVIYLYWJPARIHR-TZMCWYRMSA-N -1 3 385.428 0.249 20 30 GCEDHM C#Cc1ccccc1CC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573289722 946891749 /nfs/dbraw/zinc/89/17/49/946891749.db2.gz CEKLMJVMLYDAQN-INIZCTEOSA-N -1 3 377.408 0.375 20 30 GCEDHM C#Cc1ccccc1CC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573289722 946891755 /nfs/dbraw/zinc/89/17/55/946891755.db2.gz CEKLMJVMLYDAQN-INIZCTEOSA-N -1 3 377.408 0.375 20 30 GCEDHM C#Cc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001573289769 946892543 /nfs/dbraw/zinc/89/25/43/946892543.db2.gz CQFGMCJVNKNDHW-UHFFFAOYSA-N -1 3 396.432 0.443 20 30 GCEDHM C#Cc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001573289769 946892554 /nfs/dbraw/zinc/89/25/54/946892554.db2.gz CQFGMCJVNKNDHW-UHFFFAOYSA-N -1 3 396.432 0.443 20 30 GCEDHM C#CCOCCC(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)[C@@H]1CC ZINC001573289840 946895499 /nfs/dbraw/zinc/89/54/99/946895499.db2.gz QLVKLBSKXFKUBS-LSDHHAIUSA-N -1 3 387.419 0.914 20 30 GCEDHM C#CCOCCC(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)[C@@H]1CC ZINC001573289840 946895507 /nfs/dbraw/zinc/89/55/07/946895507.db2.gz QLVKLBSKXFKUBS-LSDHHAIUSA-N -1 3 387.419 0.914 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)CCCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC001573290573 946908937 /nfs/dbraw/zinc/90/89/37/946908937.db2.gz ZQPDUMMQNVTZQL-UHFFFAOYSA-N -1 3 378.396 0.463 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)CCCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC001573290573 946908947 /nfs/dbraw/zinc/90/89/47/946908947.db2.gz ZQPDUMMQNVTZQL-UHFFFAOYSA-N -1 3 378.396 0.463 20 30 GCEDHM C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C)c1 ZINC001573291339 946918220 /nfs/dbraw/zinc/91/82/20/946918220.db2.gz BCZBSCFPBQQJGU-ABAIWWIYSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C)c1 ZINC001573291339 946918228 /nfs/dbraw/zinc/91/82/28/946918228.db2.gz BCZBSCFPBQQJGU-ABAIWWIYSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1cncc(C(=O)NC[C@@H](C)N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001573292068 946928283 /nfs/dbraw/zinc/92/82/83/946928283.db2.gz NYTFFGXAHCTDEV-LLVKDONJSA-N -1 3 378.396 0.462 20 30 GCEDHM C#Cc1cncc(C(=O)NC[C@@H](C)N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001573292068 946928289 /nfs/dbraw/zinc/92/82/89/946928289.db2.gz NYTFFGXAHCTDEV-LLVKDONJSA-N -1 3 378.396 0.462 20 30 GCEDHM C=C(C)[C@H](CC(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)OCC ZINC001573293277 946953548 /nfs/dbraw/zinc/95/35/48/946953548.db2.gz QOPQHJQRNJWAGK-HNNXBMFYSA-N -1 3 387.444 0.849 20 30 GCEDHM C=C(C)[C@H](CC(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)OCC ZINC001573293277 946953556 /nfs/dbraw/zinc/95/35/56/946953556.db2.gz QOPQHJQRNJWAGK-HNNXBMFYSA-N -1 3 387.444 0.849 20 30 GCEDHM C=C(C)[C@@H](CC(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)OCC ZINC001573293406 946955595 /nfs/dbraw/zinc/95/55/95/946955595.db2.gz VNFLONSZSIYFLR-BXUZGUMPSA-N -1 3 375.433 0.801 20 30 GCEDHM C=C(C)[C@@H](CC(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)OCC ZINC001573293406 946955604 /nfs/dbraw/zinc/95/56/04/946955604.db2.gz VNFLONSZSIYFLR-BXUZGUMPSA-N -1 3 375.433 0.801 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC(C2(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CC1 ZINC001573563670 946986267 /nfs/dbraw/zinc/98/62/67/946986267.db2.gz BTYPPVRQUZMCEM-NSHDSACASA-N -1 3 382.428 0.855 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@](C)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573294570 946993190 /nfs/dbraw/zinc/99/31/90/946993190.db2.gz IENSWNABCFZFKK-ODYMNIRHSA-N -1 3 399.455 0.897 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@](C)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573294570 946993198 /nfs/dbraw/zinc/99/31/98/946993198.db2.gz IENSWNABCFZFKK-ODYMNIRHSA-N -1 3 399.455 0.897 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@H](N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001573564759 946996358 /nfs/dbraw/zinc/99/63/58/946996358.db2.gz KHNPHVDJZQXDQD-HIFRSBDPSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@H](N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001573564759 946996364 /nfs/dbraw/zinc/99/63/64/946996364.db2.gz KHNPHVDJZQXDQD-HIFRSBDPSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@@H](N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001573564756 946996443 /nfs/dbraw/zinc/99/64/43/946996443.db2.gz KHNPHVDJZQXDQD-DZGCQCFKSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@@H](N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001573564756 946996450 /nfs/dbraw/zinc/99/64/50/946996450.db2.gz KHNPHVDJZQXDQD-DZGCQCFKSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573565695 947012933 /nfs/dbraw/zinc/01/29/33/947012933.db2.gz UNGXSVYQPVHKHZ-XIKOKIGWSA-N -1 3 382.428 0.809 20 30 GCEDHM C=C1CC(C)(C(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@@H]2O)C1 ZINC001573295323 947013831 /nfs/dbraw/zinc/01/38/31/947013831.db2.gz CXNYHHFDXFVGBK-OLZOCXBDSA-N -1 3 389.847 0.937 20 30 GCEDHM C=C1CC(C)(C(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@@H]2O)C1 ZINC001573295323 947013839 /nfs/dbraw/zinc/01/38/39/947013839.db2.gz CXNYHHFDXFVGBK-OLZOCXBDSA-N -1 3 389.847 0.937 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573565692 947013973 /nfs/dbraw/zinc/01/39/73/947013973.db2.gz UNGXSVYQPVHKHZ-KPZWWZAWSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001573565835 947015434 /nfs/dbraw/zinc/01/54/34/947015434.db2.gz WOXFBZQFGOHWNH-KPZWWZAWSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001573565835 947015443 /nfs/dbraw/zinc/01/54/43/947015443.db2.gz WOXFBZQFGOHWNH-KPZWWZAWSA-N -1 3 382.428 0.809 20 30 GCEDHM C=C(Cl)C(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573296136 947039822 /nfs/dbraw/zinc/03/98/22/947039822.db2.gz YWLIFAWRRQWQEE-JTQLQIEISA-N -1 3 381.824 0.180 20 30 GCEDHM C=C(Cl)C(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573296136 947039825 /nfs/dbraw/zinc/03/98/25/947039825.db2.gz YWLIFAWRRQWQEE-JTQLQIEISA-N -1 3 381.824 0.180 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@]2(C1)CN(Cc1ccc(-c3nnn[n-]3)s1)CCO2 ZINC001573567274 947040134 /nfs/dbraw/zinc/04/01/34/947040134.db2.gz KZGQPCZRZLVRTO-SJKOYZFVSA-N -1 3 387.469 0.891 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@]2(C1)CN(Cc1ccc(-c3nn[n-]n3)s1)CCO2 ZINC001573567274 947040145 /nfs/dbraw/zinc/04/01/45/947040145.db2.gz KZGQPCZRZLVRTO-SJKOYZFVSA-N -1 3 387.469 0.891 20 30 GCEDHM C=C(C)CCC(=O)NC1(CO)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573298113 947068424 /nfs/dbraw/zinc/06/84/24/947068424.db2.gz AVLMMMRLBPSBTN-UHFFFAOYSA-N -1 3 387.444 0.634 20 30 GCEDHM C=C(C)CCC(=O)NC1(CO)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573298113 947068435 /nfs/dbraw/zinc/06/84/35/947068435.db2.gz AVLMMMRLBPSBTN-UHFFFAOYSA-N -1 3 387.444 0.634 20 30 GCEDHM C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573570053 947080870 /nfs/dbraw/zinc/08/08/70/947080870.db2.gz JATCBVJPBSGFJH-YNKQFZHNSA-N -1 3 382.428 0.713 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573300382 947111353 /nfs/dbraw/zinc/11/13/53/947111353.db2.gz PDYRAKQYAUDEIE-OAHLLOKOSA-N -1 3 384.444 0.793 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573300382 947111358 /nfs/dbraw/zinc/11/13/58/947111358.db2.gz PDYRAKQYAUDEIE-OAHLLOKOSA-N -1 3 384.444 0.793 20 30 GCEDHM C=C(C)CCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573300437 947111519 /nfs/dbraw/zinc/11/15/19/947111519.db2.gz QDAJVUJDCJJEGD-IUODEOHRSA-N -1 3 387.444 0.897 20 30 GCEDHM C=C(C)CCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573300437 947111522 /nfs/dbraw/zinc/11/15/22/947111522.db2.gz QDAJVUJDCJJEGD-IUODEOHRSA-N -1 3 387.444 0.897 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573572697 947114900 /nfs/dbraw/zinc/11/49/00/947114900.db2.gz JIZFJJNAOJLBQK-XHDPSFHLSA-N -1 3 378.396 0.942 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573572695 947115361 /nfs/dbraw/zinc/11/53/61/947115361.db2.gz JIZFJJNAOJLBQK-NHYWBVRUSA-N -1 3 378.396 0.942 20 30 GCEDHM C=C(C)C[C@H](CO)NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573300771 947119538 /nfs/dbraw/zinc/11/95/38/947119538.db2.gz UMLRCVCGDUZAAG-OAHLLOKOSA-N -1 3 386.460 0.857 20 30 GCEDHM C=C(C)C[C@H](CO)NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573300771 947119543 /nfs/dbraw/zinc/11/95/43/947119543.db2.gz UMLRCVCGDUZAAG-OAHLLOKOSA-N -1 3 386.460 0.857 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573573412 947121236 /nfs/dbraw/zinc/12/12/36/947121236.db2.gz NFZVKLZXFUZMPG-KPZWWZAWSA-N -1 3 387.419 0.609 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573573412 947121246 /nfs/dbraw/zinc/12/12/46/947121246.db2.gz NFZVKLZXFUZMPG-KPZWWZAWSA-N -1 3 387.419 0.609 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573574675 947133105 /nfs/dbraw/zinc/13/31/05/947133105.db2.gz STMPWOXRBIHSGO-SGTLLEGYSA-N -1 3 387.419 0.609 20 30 GCEDHM C=CC(C)(C)C(=O)N[C@@H](C)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001573301286 947135169 /nfs/dbraw/zinc/13/51/69/947135169.db2.gz WOLCJSDUTMUVBM-SMDDNHRTSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CC(C)(C)C(=O)N[C@@H](C)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001573301286 947135179 /nfs/dbraw/zinc/13/51/79/947135179.db2.gz WOLCJSDUTMUVBM-SMDDNHRTSA-N -1 3 387.444 0.753 20 30 GCEDHM C[C@H](C#N)C(=O)NC1(CO)CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573574775 947135383 /nfs/dbraw/zinc/13/53/83/947135383.db2.gz UUEXMDOKIARFTC-SNVBAGLBSA-N -1 3 390.835 0.522 20 30 GCEDHM C[C@H](C#N)C(=O)NC1(CO)CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573574775 947135386 /nfs/dbraw/zinc/13/53/86/947135386.db2.gz UUEXMDOKIARFTC-SNVBAGLBSA-N -1 3 390.835 0.522 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@H]1COC2(CN(Cc3cc(-c4nn[n-]n4)ccc3F)C2)C1 ZINC001573575616 947141688 /nfs/dbraw/zinc/14/16/88/947141688.db2.gz AEKUJVVRWZWFAR-RISCZKNCSA-N -1 3 385.403 0.625 20 30 GCEDHM C=C[C@](C)(CC)C(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001573305202 947152595 /nfs/dbraw/zinc/15/25/95/947152595.db2.gz BORCYCMQDPZBMG-SCLBCKFNSA-N -1 3 387.444 0.754 20 30 GCEDHM C=C[C@](C)(CC)C(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001573305202 947152598 /nfs/dbraw/zinc/15/25/98/947152598.db2.gz BORCYCMQDPZBMG-SCLBCKFNSA-N -1 3 387.444 0.754 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573576600 947154026 /nfs/dbraw/zinc/15/40/26/947154026.db2.gz HYJHAKIBLCXXFY-NHYWBVRUSA-N -1 3 378.396 0.942 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@]1(C)CN(c2ncc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC001573577084 947160383 /nfs/dbraw/zinc/16/03/83/947160383.db2.gz LYHGZPLLJIEUTG-HWPZZCPQSA-N -1 3 390.835 0.786 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@]1(C)CN(c2ncc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC001573577084 947160387 /nfs/dbraw/zinc/16/03/87/947160387.db2.gz LYHGZPLLJIEUTG-HWPZZCPQSA-N -1 3 390.835 0.786 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@H]1CCC2(CN(Cc3ccc(-c4nnn[n-]4)s3)C2)O1 ZINC001573577272 947165656 /nfs/dbraw/zinc/16/56/56/947165656.db2.gz OJIDVRQUOXHUFU-NEPJUHHUSA-N -1 3 387.469 0.937 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)CCCO1 ZINC001573582815 947197052 /nfs/dbraw/zinc/19/70/52/947197052.db2.gz HFXURNGFSYHPSQ-ZYHUDNBSSA-N -1 3 390.835 0.786 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)CCCO1 ZINC001573582815 947197055 /nfs/dbraw/zinc/19/70/55/947197055.db2.gz HFXURNGFSYHPSQ-ZYHUDNBSSA-N -1 3 390.835 0.786 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1(F)F ZINC001573583137 947199700 /nfs/dbraw/zinc/19/97/00/947199700.db2.gz KBVVFKUZCXDISG-VHSXEESVSA-N -1 3 392.370 0.568 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1(F)F ZINC001573583137 947199705 /nfs/dbraw/zinc/19/97/05/947199705.db2.gz KBVVFKUZCXDISG-VHSXEESVSA-N -1 3 392.370 0.568 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573309483 947199973 /nfs/dbraw/zinc/19/99/73/947199973.db2.gz JIQCXINBIAOLNM-SCLBCKFNSA-N -1 3 387.444 0.585 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573309483 947199980 /nfs/dbraw/zinc/19/99/80/947199980.db2.gz JIQCXINBIAOLNM-SCLBCKFNSA-N -1 3 387.444 0.585 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573309664 947204753 /nfs/dbraw/zinc/20/47/53/947204753.db2.gz MNDLZOBQLXCYDG-PIGZYNQJSA-N -1 3 375.408 0.988 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573309664 947204760 /nfs/dbraw/zinc/20/47/60/947204760.db2.gz MNDLZOBQLXCYDG-PIGZYNQJSA-N -1 3 375.408 0.988 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCC1(F)F ZINC001573583821 947211142 /nfs/dbraw/zinc/21/11/42/947211142.db2.gz PLLFPKSCWFZCOK-GHMZBOCLSA-N -1 3 376.371 0.999 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCC1(F)F ZINC001573583821 947211150 /nfs/dbraw/zinc/21/11/50/947211150.db2.gz PLLFPKSCWFZCOK-GHMZBOCLSA-N -1 3 376.371 0.999 20 30 GCEDHM C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573310039 947216586 /nfs/dbraw/zinc/21/65/86/947216586.db2.gz RNGMVCQWFZEGES-GTNSWQLSSA-N -1 3 375.433 0.658 20 30 GCEDHM C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573310039 947216592 /nfs/dbraw/zinc/21/65/92/947216592.db2.gz RNGMVCQWFZEGES-GTNSWQLSSA-N -1 3 375.433 0.658 20 30 GCEDHM C=C[C@](C)(O)CC(=O)NCCC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573310278 947220493 /nfs/dbraw/zinc/22/04/93/947220493.db2.gz VXVLAEHXHOYEKG-KRWDZBQOSA-N -1 3 387.444 0.538 20 30 GCEDHM C=C[C@](C)(O)CC(=O)NCCC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573310278 947220500 /nfs/dbraw/zinc/22/05/00/947220500.db2.gz VXVLAEHXHOYEKG-KRWDZBQOSA-N -1 3 387.444 0.538 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573310261 947220807 /nfs/dbraw/zinc/22/08/07/947220807.db2.gz VTLVGJBRLBQDDQ-YVEFUNNKSA-N -1 3 375.408 0.765 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573310261 947220815 /nfs/dbraw/zinc/22/08/15/947220815.db2.gz VTLVGJBRLBQDDQ-YVEFUNNKSA-N -1 3 375.408 0.765 20 30 GCEDHM C=C[C@@H](CC)CC(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573314950 947241715 /nfs/dbraw/zinc/24/17/15/947241715.db2.gz IFZWVCWUGWVZMV-LBPRGKRZSA-N -1 3 387.444 0.490 20 30 GCEDHM C=C[C@@H](CC)CC(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573314950 947241723 /nfs/dbraw/zinc/24/17/23/947241723.db2.gz IFZWVCWUGWVZMV-LBPRGKRZSA-N -1 3 387.444 0.490 20 30 GCEDHM C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573585135 947247012 /nfs/dbraw/zinc/24/70/12/947247012.db2.gz CQJSKJLZTSOEBB-GFCCVEGCSA-N -1 3 390.473 0.777 20 30 GCEDHM C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573585135 947247021 /nfs/dbraw/zinc/24/70/21/947247021.db2.gz CQJSKJLZTSOEBB-GFCCVEGCSA-N -1 3 390.473 0.777 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001573585290 947251766 /nfs/dbraw/zinc/25/17/66/947251766.db2.gz NKRGKMXSJHVCNM-YNKQFZHNSA-N -1 3 382.428 0.713 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001573585290 947251780 /nfs/dbraw/zinc/25/17/80/947251780.db2.gz NKRGKMXSJHVCNM-YNKQFZHNSA-N -1 3 382.428 0.713 20 30 GCEDHM C[C@@H](C#N)C(=O)NCc1ccc(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC001573585681 947264383 /nfs/dbraw/zinc/26/43/83/947264383.db2.gz UQOKKYGDJPQAOX-LBPRGKRZSA-N -1 3 392.423 0.943 20 30 GCEDHM C[C@@H](C#N)C(=O)NCc1ccc(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC001573585681 947264391 /nfs/dbraw/zinc/26/43/91/947264391.db2.gz UQOKKYGDJPQAOX-LBPRGKRZSA-N -1 3 392.423 0.943 20 30 GCEDHM C=C[C@H](CC)CC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573316351 947270623 /nfs/dbraw/zinc/27/06/23/947270623.db2.gz VZPLUBMFFYZMHM-CHWSQXEVSA-N -1 3 387.444 0.754 20 30 GCEDHM C=C[C@H](CC)CC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573316351 947270633 /nfs/dbraw/zinc/27/06/33/947270633.db2.gz VZPLUBMFFYZMHM-CHWSQXEVSA-N -1 3 387.444 0.754 20 30 GCEDHM C=C[C@H](CC)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573316296 947272284 /nfs/dbraw/zinc/27/22/84/947272284.db2.gz VFXLZSAEDNRHDZ-TZMCWYRMSA-N -1 3 389.460 0.688 20 30 GCEDHM C=C[C@H](CC)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573316296 947272293 /nfs/dbraw/zinc/27/22/93/947272293.db2.gz VFXLZSAEDNRHDZ-TZMCWYRMSA-N -1 3 389.460 0.688 20 30 GCEDHM C=C[C@H](CC)CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1OC ZINC001573316666 947281130 /nfs/dbraw/zinc/28/11/30/947281130.db2.gz XZICAGHDMJHOHT-KCPJHIHWSA-N -1 3 387.444 0.753 20 30 GCEDHM C=C[C@H](CC)CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1OC ZINC001573316666 947281136 /nfs/dbraw/zinc/28/11/36/947281136.db2.gz XZICAGHDMJHOHT-KCPJHIHWSA-N -1 3 387.444 0.753 20 30 GCEDHM C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573317315 947297496 /nfs/dbraw/zinc/29/74/96/947297496.db2.gz NLXMEBBHRRIDQQ-VXGBXAGGSA-N -1 3 375.433 0.204 20 30 GCEDHM C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573317315 947297511 /nfs/dbraw/zinc/29/75/11/947297511.db2.gz NLXMEBBHRRIDQQ-VXGBXAGGSA-N -1 3 375.433 0.204 20 30 GCEDHM C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573317312 947297543 /nfs/dbraw/zinc/29/75/43/947297543.db2.gz NLXMEBBHRRIDQQ-NEPJUHHUSA-N -1 3 375.433 0.204 20 30 GCEDHM C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573317312 947297554 /nfs/dbraw/zinc/29/75/54/947297554.db2.gz NLXMEBBHRRIDQQ-NEPJUHHUSA-N -1 3 375.433 0.204 20 30 GCEDHM CCc1ccccc1NC(=O)CNC(=O)Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC000825723361 947300453 /nfs/dbraw/zinc/30/04/53/947300453.db2.gz ZIZUBIRVQSQRLP-UHFFFAOYSA-N -1 3 379.384 0.252 20 30 GCEDHM C=CCC(C)(C)C(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573319737 947334439 /nfs/dbraw/zinc/33/44/39/947334439.db2.gz PVTYXRCEBIVAPP-CYBMUJFWSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CCC(C)(C)C(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573319737 947334452 /nfs/dbraw/zinc/33/44/52/947334452.db2.gz PVTYXRCEBIVAPP-CYBMUJFWSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CCC(CC=C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573325939 947364864 /nfs/dbraw/zinc/36/48/64/947364864.db2.gz IKKGHAONZKRUKT-HUUCEWRRSA-N -1 3 385.428 0.265 20 30 GCEDHM C=CCC(CC=C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573325939 947364871 /nfs/dbraw/zinc/36/48/71/947364871.db2.gz IKKGHAONZKRUKT-HUUCEWRRSA-N -1 3 385.428 0.265 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573335553 947483198 /nfs/dbraw/zinc/48/31/98/947483198.db2.gz AGPOMJYDKBHMSE-TYNCELHUSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573335553 947483208 /nfs/dbraw/zinc/48/32/08/947483208.db2.gz AGPOMJYDKBHMSE-TYNCELHUSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CCCOCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001573335704 947488413 /nfs/dbraw/zinc/48/84/13/947488413.db2.gz CLTNGCBLQNCNTI-XYYAHUGASA-N -1 3 385.428 0.222 20 30 GCEDHM C=CCCOCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001573335704 947488417 /nfs/dbraw/zinc/48/84/17/947488417.db2.gz CLTNGCBLQNCNTI-XYYAHUGASA-N -1 3 385.428 0.222 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)NC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573335849 947489369 /nfs/dbraw/zinc/48/93/69/947489369.db2.gz FMRBQJAUCQGOQE-LBPRGKRZSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)NC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573335849 947489374 /nfs/dbraw/zinc/48/93/74/947489374.db2.gz FMRBQJAUCQGOQE-LBPRGKRZSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCOCC(=O)N(C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573336316 947503515 /nfs/dbraw/zinc/50/35/15/947503515.db2.gz MLJWUASGZUHDKL-ZDUSSCGKSA-N -1 3 387.444 0.708 20 30 GCEDHM C=CCCOCC(=O)N(C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573336316 947503529 /nfs/dbraw/zinc/50/35/29/947503529.db2.gz MLJWUASGZUHDKL-ZDUSSCGKSA-N -1 3 387.444 0.708 20 30 GCEDHM C=CCCOCC(=O)N1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C(C)(C)C1 ZINC001573337408 947516026 /nfs/dbraw/zinc/51/60/26/947516026.db2.gz XCCSRHANMKINMT-AWEZNQCLSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CCCOCC(=O)N1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C(C)(C)C1 ZINC001573337408 947516032 /nfs/dbraw/zinc/51/60/32/947516032.db2.gz XCCSRHANMKINMT-AWEZNQCLSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CCOCC(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC[C@@H]21 ZINC001573342838 947546687 /nfs/dbraw/zinc/54/66/87/947546687.db2.gz FMEWDYQLCMYIIF-DOMZBBRYSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCOCC(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC[C@@H]21 ZINC001573342838 947546699 /nfs/dbraw/zinc/54/66/99/947546699.db2.gz FMEWDYQLCMYIIF-DOMZBBRYSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCOCC(=O)N1CC[C@]2(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCC[C@H]12 ZINC001573343071 947553478 /nfs/dbraw/zinc/55/34/78/947553478.db2.gz JACHQQZDUJQWFP-KBXCAEBGSA-N -1 3 385.428 0.651 20 30 GCEDHM C=CCOCC(=O)N1CC[C@]2(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCC[C@H]12 ZINC001573343071 947553488 /nfs/dbraw/zinc/55/34/88/947553488.db2.gz JACHQQZDUJQWFP-KBXCAEBGSA-N -1 3 385.428 0.651 20 30 GCEDHM C=CCOCC(=O)N1CCO[C@H]([C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573343264 947554291 /nfs/dbraw/zinc/55/42/91/947554291.db2.gz LVKRRBKBLGWUEQ-HIFRSBDPSA-N -1 3 387.444 0.801 20 30 GCEDHM C=CCOCC(=O)N1CCO[C@H]([C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573343264 947554304 /nfs/dbraw/zinc/55/43/04/947554304.db2.gz LVKRRBKBLGWUEQ-HIFRSBDPSA-N -1 3 387.444 0.801 20 30 GCEDHM C=CCOCC(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC[C@@H]21 ZINC001573343232 947555635 /nfs/dbraw/zinc/55/56/35/947555635.db2.gz LCPPQHQHCDTSRT-DOMZBBRYSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCOCC(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC[C@@H]21 ZINC001573343232 947555647 /nfs/dbraw/zinc/55/56/47/947555647.db2.gz LCPPQHQHCDTSRT-DOMZBBRYSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001573343368 947557652 /nfs/dbraw/zinc/55/76/52/947557652.db2.gz OARMNZGMAPGAFN-SWLSCSKDSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001573343368 947557657 /nfs/dbraw/zinc/55/76/57/947557657.db2.gz OARMNZGMAPGAFN-SWLSCSKDSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCOCCCC(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573347622 947574100 /nfs/dbraw/zinc/57/41/00/947574100.db2.gz FPDZDEQLDCBPNZ-CYBMUJFWSA-N -1 3 387.444 0.851 20 30 GCEDHM C=CCOCCCC(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573347622 947574118 /nfs/dbraw/zinc/57/41/18/947574118.db2.gz FPDZDEQLDCBPNZ-CYBMUJFWSA-N -1 3 387.444 0.851 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1 ZINC001573350558 947598189 /nfs/dbraw/zinc/59/81/89/947598189.db2.gz GLHVCZOTMHOTQX-CXUGXGMPSA-N -1 3 381.440 0.747 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1 ZINC001573350558 947598199 /nfs/dbraw/zinc/59/81/99/947598199.db2.gz GLHVCZOTMHOTQX-CXUGXGMPSA-N -1 3 381.440 0.747 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001573350538 947599755 /nfs/dbraw/zinc/59/97/55/947599755.db2.gz FQQOQPNELVHAQW-HIFRSBDPSA-N -1 3 397.439 0.460 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573350538 947599764 /nfs/dbraw/zinc/59/97/64/947599764.db2.gz FQQOQPNELVHAQW-HIFRSBDPSA-N -1 3 397.439 0.460 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573350909 947605396 /nfs/dbraw/zinc/60/53/96/947605396.db2.gz LBUHMWXUHUYMJZ-KYOSRNDESA-N -1 3 385.428 0.364 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573350909 947605403 /nfs/dbraw/zinc/60/54/03/947605403.db2.gz LBUHMWXUHUYMJZ-KYOSRNDESA-N -1 3 385.428 0.364 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573350911 947605449 /nfs/dbraw/zinc/60/54/49/947605449.db2.gz LBUHMWXUHUYMJZ-LNSITVRQSA-N -1 3 385.428 0.364 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573350911 947605453 /nfs/dbraw/zinc/60/54/53/947605453.db2.gz LBUHMWXUHUYMJZ-LNSITVRQSA-N -1 3 385.428 0.364 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573350930 947606029 /nfs/dbraw/zinc/60/60/29/947606029.db2.gz LKIAERIPRFEZTP-NEPJUHHUSA-N -1 3 375.458 0.871 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573351019 947606412 /nfs/dbraw/zinc/60/64/12/947606412.db2.gz NDVNWNMVJBYUQU-NFAWXSAZSA-N -1 3 385.428 0.507 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573351019 947606418 /nfs/dbraw/zinc/60/64/18/947606418.db2.gz NDVNWNMVJBYUQU-NFAWXSAZSA-N -1 3 385.428 0.507 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001573352132 947625972 /nfs/dbraw/zinc/62/59/72/947625972.db2.gz ZVYVEXWDWRPLBZ-XJBGLIRHSA-N -1 3 381.440 0.651 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001573352132 947625978 /nfs/dbraw/zinc/62/59/78/947625978.db2.gz ZVYVEXWDWRPLBZ-XJBGLIRHSA-N -1 3 381.440 0.651 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)CCO1 ZINC001573352208 947627199 /nfs/dbraw/zinc/62/71/99/947627199.db2.gz YVBOHAMUTRVWDH-FMKPAKJESA-N -1 3 399.455 0.483 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)CCO1 ZINC001573352208 947627208 /nfs/dbraw/zinc/62/72/08/947627208.db2.gz YVBOHAMUTRVWDH-FMKPAKJESA-N -1 3 399.455 0.483 20 30 GCEDHM CC#CCCCC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001573358620 947666672 /nfs/dbraw/zinc/66/66/72/947666672.db2.gz NJCJWRVBPQTYQS-GASCZTMLSA-N -1 3 381.440 0.919 20 30 GCEDHM CC#CCCCC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001573358620 947666681 /nfs/dbraw/zinc/66/66/81/947666681.db2.gz NJCJWRVBPQTYQS-GASCZTMLSA-N -1 3 381.440 0.919 20 30 GCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)[C@@H](C)CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826232484 947679939 /nfs/dbraw/zinc/67/99/39/947679939.db2.gz PGTDJMHEPQLJHF-WDEREUQCSA-N -1 3 393.411 0.770 20 30 GCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)[C@@H](C)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826232484 947679942 /nfs/dbraw/zinc/67/99/42/947679942.db2.gz PGTDJMHEPQLJHF-WDEREUQCSA-N -1 3 393.411 0.770 20 30 GCEDHM Cc1onc(CC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c1C#N ZINC000826344265 948004192 /nfs/dbraw/zinc/00/41/92/948004192.db2.gz BZXFKSOMRDFBOK-UHFFFAOYSA-N -1 3 379.384 0.321 20 30 GCEDHM Cc1onc(CC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c1C#N ZINC000826344265 948004197 /nfs/dbraw/zinc/00/41/97/948004197.db2.gz BZXFKSOMRDFBOK-UHFFFAOYSA-N -1 3 379.384 0.321 20 30 GCEDHM Cc1onc(CC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1C#N ZINC000826344584 948009830 /nfs/dbraw/zinc/00/98/30/948009830.db2.gz LUMIJQMAKLTCKJ-UHFFFAOYSA-N -1 3 379.384 0.321 20 30 GCEDHM Cc1onc(CC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1C#N ZINC000826344584 948009837 /nfs/dbraw/zinc/00/98/37/948009837.db2.gz LUMIJQMAKLTCKJ-UHFFFAOYSA-N -1 3 379.384 0.321 20 30 GCEDHM N#Cc1cc(C(=O)N[C@H]2CCC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c[nH]1 ZINC000826383716 948184022 /nfs/dbraw/zinc/18/40/22/948184022.db2.gz NDKVHDAGWINIMU-HZMBPMFUSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1cc(C(=O)N[C@H]2CCC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c[nH]1 ZINC000826383716 948184030 /nfs/dbraw/zinc/18/40/30/948184030.db2.gz NDKVHDAGWINIMU-HZMBPMFUSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1ncn(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC000826387959 948192364 /nfs/dbraw/zinc/19/23/64/948192364.db2.gz BVLGBDKUZDGRBK-UHFFFAOYSA-N -1 3 387.289 0.978 20 30 GCEDHM N#Cc1cnn(-c2ccccc2)c1NC(=O)Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC000826387708 948192784 /nfs/dbraw/zinc/19/27/84/948192784.db2.gz MJCZHPWGMJJNDV-UHFFFAOYSA-N -1 3 385.351 0.631 20 30 GCEDHM N#Cc1ncn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1-c1nnn[n-]1 ZINC000826388282 948194281 /nfs/dbraw/zinc/19/42/81/948194281.db2.gz QEZRJWLPXPRUTA-UHFFFAOYSA-N -1 3 381.375 0.423 20 30 GCEDHM C[C@@]1(C#N)CN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CCO1 ZINC001575523812 949303378 /nfs/dbraw/zinc/30/33/78/949303378.db2.gz DAVYSVDSTLJIIT-QGZVFWFLSA-N -1 3 379.384 0.389 20 30 GCEDHM C[C@@]1(C#N)CN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CCO1 ZINC001575523812 949303402 /nfs/dbraw/zinc/30/34/02/949303402.db2.gz DAVYSVDSTLJIIT-QGZVFWFLSA-N -1 3 379.384 0.389 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575882893 949795559 /nfs/dbraw/zinc/79/55/59/949795559.db2.gz BOAPEOJOMPTLJO-NOZJJQNGSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575882893 949795573 /nfs/dbraw/zinc/79/55/73/949795573.db2.gz BOAPEOJOMPTLJO-NOZJJQNGSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1c1cncc(C#N)n1 ZINC001575883337 949814589 /nfs/dbraw/zinc/81/45/89/949814589.db2.gz DNWXQUYPGSAWLR-ZWNOBZJWSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1c1cncc(C#N)n1 ZINC001575883337 949814605 /nfs/dbraw/zinc/81/46/05/949814605.db2.gz DNWXQUYPGSAWLR-ZWNOBZJWSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575884937 949854342 /nfs/dbraw/zinc/85/43/42/949854342.db2.gz IZLSRSYLYYUUBA-CABZTGNLSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575884937 949854364 /nfs/dbraw/zinc/85/43/64/949854364.db2.gz IZLSRSYLYYUUBA-CABZTGNLSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575886960 949886539 /nfs/dbraw/zinc/88/65/39/949886539.db2.gz NFGRKFJJVGLVPI-NOZJJQNGSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575886960 949886553 /nfs/dbraw/zinc/88/65/53/949886553.db2.gz NFGRKFJJVGLVPI-NOZJJQNGSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575890195 949946843 /nfs/dbraw/zinc/94/68/43/949946843.db2.gz WCTYSBBUXLPDNZ-RNCFNFMXSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575890195 949946863 /nfs/dbraw/zinc/94/68/63/949946863.db2.gz WCTYSBBUXLPDNZ-RNCFNFMXSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575891288 949997732 /nfs/dbraw/zinc/99/77/32/949997732.db2.gz HMGCGVLJKLUHSP-GXSJLCMTSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575891288 949997754 /nfs/dbraw/zinc/99/77/54/949997754.db2.gz HMGCGVLJKLUHSP-GXSJLCMTSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575891714 950030276 /nfs/dbraw/zinc/03/02/76/950030276.db2.gz MXWNMUQSBPJFOA-BXKDBHETSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575891714 950030293 /nfs/dbraw/zinc/03/02/93/950030293.db2.gz MXWNMUQSBPJFOA-BXKDBHETSA-N -1 3 379.384 0.428 20 30 GCEDHM CC(C)C[C@@H](CNc1ccnc(C#N)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574157487 950236008 /nfs/dbraw/zinc/23/60/08/950236008.db2.gz CAGMTTNUZUDXKD-LBPRGKRZSA-N -1 3 380.416 0.535 20 30 GCEDHM CC(C)C[C@@H](CNc1ccnc(C#N)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574157487 950236025 /nfs/dbraw/zinc/23/60/25/950236025.db2.gz CAGMTTNUZUDXKD-LBPRGKRZSA-N -1 3 380.416 0.535 20 30 GCEDHM CC(C)(CC#N)CNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573893457 950886596 /nfs/dbraw/zinc/88/65/96/950886596.db2.gz GVGVIOXIXKGVLU-UHFFFAOYSA-N -1 3 376.442 0.838 20 30 GCEDHM C[C@H](C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574527760 950903210 /nfs/dbraw/zinc/90/32/10/950903210.db2.gz GTYKEEFKDWAYJK-NXEZZACHSA-N -1 3 381.400 0.721 20 30 GCEDHM C[C@H](C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574527760 950903231 /nfs/dbraw/zinc/90/32/31/950903231.db2.gz GTYKEEFKDWAYJK-NXEZZACHSA-N -1 3 381.400 0.721 20 30 GCEDHM C[C@](CNc1ccc(C#N)nn1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575137291 952135681 /nfs/dbraw/zinc/13/56/81/952135681.db2.gz WDQARRCJAMZABH-QGZVFWFLSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@](CNc1ccc(C#N)nn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575137291 952135687 /nfs/dbraw/zinc/13/56/87/952135687.db2.gz WDQARRCJAMZABH-QGZVFWFLSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@@](CNc1nccnc1C#N)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575178769 952407459 /nfs/dbraw/zinc/40/74/59/952407459.db2.gz MTHYJILCEMPJRF-KRWDZBQOSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@@](CNc1nccnc1C#N)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575178769 952407464 /nfs/dbraw/zinc/40/74/64/952407464.db2.gz MTHYJILCEMPJRF-KRWDZBQOSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1cnccc1N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001571114732 952460530 /nfs/dbraw/zinc/46/05/30/952460530.db2.gz NCVIOAWFHUOTQK-XYYAHUGASA-N -1 3 375.396 0.574 20 30 GCEDHM N#Cc1cnccc1N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001571114732 952460535 /nfs/dbraw/zinc/46/05/35/952460535.db2.gz NCVIOAWFHUOTQK-XYYAHUGASA-N -1 3 375.396 0.574 20 30 GCEDHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)n1 ZINC001571114995 952463095 /nfs/dbraw/zinc/46/30/95/952463095.db2.gz PJGOZOCVOICRIV-NHAGDIPZSA-N -1 3 375.396 0.635 20 30 GCEDHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)n1 ZINC001571114995 952463097 /nfs/dbraw/zinc/46/30/97/952463097.db2.gz PJGOZOCVOICRIV-NHAGDIPZSA-N -1 3 375.396 0.635 20 30 GCEDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001571124814 952545268 /nfs/dbraw/zinc/54/52/68/952545268.db2.gz VICAGPYKTQISCL-BXUZGUMPSA-N -1 3 377.412 0.964 20 30 GCEDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001571124814 952545273 /nfs/dbraw/zinc/54/52/73/952545273.db2.gz VICAGPYKTQISCL-BXUZGUMPSA-N -1 3 377.412 0.964 20 30 GCEDHM Cc1cc(N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2C)c(C#N)cn1 ZINC001571128452 952566906 /nfs/dbraw/zinc/56/69/06/952566906.db2.gz SQHTWJAIKMXYKV-QLJPJBMISA-N -1 3 377.412 0.764 20 30 GCEDHM Cc1cc(N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C)c(C#N)cn1 ZINC001571128452 952566914 /nfs/dbraw/zinc/56/69/14/952566914.db2.gz SQHTWJAIKMXYKV-QLJPJBMISA-N -1 3 377.412 0.764 20 30 GCEDHM CCN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CCN(c2cncc(C#N)n2)C1 ZINC001571135727 952608156 /nfs/dbraw/zinc/60/81/56/952608156.db2.gz CCXFBGVWCMQJOU-LBPRGKRZSA-N -1 3 378.400 0.597 20 30 GCEDHM CCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CCN(c2cncc(C#N)n2)C1 ZINC001571135727 952608159 /nfs/dbraw/zinc/60/81/59/952608159.db2.gz CCXFBGVWCMQJOU-LBPRGKRZSA-N -1 3 378.400 0.597 20 30 GCEDHM Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C)n1 ZINC001571135831 952609114 /nfs/dbraw/zinc/60/91/14/952609114.db2.gz FOTDUBNXNWUCAQ-YMTOWFKASA-N -1 3 378.400 0.738 20 30 GCEDHM Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)n1 ZINC001571135831 952609116 /nfs/dbraw/zinc/60/91/16/952609116.db2.gz FOTDUBNXNWUCAQ-YMTOWFKASA-N -1 3 378.400 0.738 20 30 GCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@H]1Nc1nccnc1C#N ZINC001571136993 952617388 /nfs/dbraw/zinc/61/73/88/952617388.db2.gz ZANIKWDKKUXBRO-ZYHUDNBSSA-N -1 3 378.400 0.819 20 30 GCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@H]1Nc1nccnc1C#N ZINC001571136993 952617396 /nfs/dbraw/zinc/61/73/96/952617396.db2.gz ZANIKWDKKUXBRO-ZYHUDNBSSA-N -1 3 378.400 0.819 20 30 GCEDHM N#Cc1cnccc1N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571140003 952622707 /nfs/dbraw/zinc/62/27/07/952622707.db2.gz MWQDFVVTGLVFJB-CYBMUJFWSA-N -1 3 379.384 0.097 20 30 GCEDHM N#Cc1cnccc1N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571140003 952622709 /nfs/dbraw/zinc/62/27/09/952622709.db2.gz MWQDFVVTGLVFJB-CYBMUJFWSA-N -1 3 379.384 0.097 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)CC1 ZINC001571180980 952861644 /nfs/dbraw/zinc/86/16/44/952861644.db2.gz RZEADDNLFFRYDY-ZIAGYGMSSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)CC1 ZINC001571180980 952861649 /nfs/dbraw/zinc/86/16/49/952861649.db2.gz RZEADDNLFFRYDY-ZIAGYGMSSA-N -1 3 381.444 0.144 20 30 GCEDHM COC(=O)C1(C#N)CCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001571219530 953125687 /nfs/dbraw/zinc/12/56/87/953125687.db2.gz PQQCGFHQTHPPTO-UHFFFAOYSA-N -1 3 383.412 0.262 20 30 GCEDHM COC(=O)C1(C#N)CCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571219530 953125689 /nfs/dbraw/zinc/12/56/89/953125689.db2.gz PQQCGFHQTHPPTO-UHFFFAOYSA-N -1 3 383.412 0.262 20 30 GCEDHM C=CCN1CCC(NC(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)CC1 ZINC001573368083 963074160 /nfs/dbraw/zinc/07/41/60/963074160.db2.gz HWNRZNABKIEFSJ-NSWWBONSSA-N -1 3 399.513 0.747 20 30 GCEDHM Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](C)[C@@H](C(=O)[O-])C3)CC2)o1 ZINC001605398202 973380206 /nfs/dbraw/zinc/38/02/06/973380206.db2.gz DSDOKQVQAQNJED-JSGCOSHPSA-N -1 3 375.429 0.546 20 30 GCEDHM C#CC1(O)CCN(C[C@H](O)COc2cn(-c3ccccc3)nc2C(=O)[O-])CC1 ZINC001588379946 983366349 /nfs/dbraw/zinc/36/63/49/983366349.db2.gz WEQVWODCYMUMEV-INIZCTEOSA-N -1 3 385.420 0.770 20 30 GCEDHM C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)cc1 ZINC001589334379 986200454 /nfs/dbraw/zinc/20/04/54/986200454.db2.gz CHWAORABQDHEFG-OLZOCXBDSA-N -1 3 394.453 0.852 20 30 GCEDHM CN1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H](C(=O)[O-])C1 ZINC001598616103 993883168 /nfs/dbraw/zinc/88/31/68/993883168.db2.gz NQENCNYVTARDJD-HNNXBMFYSA-N -1 3 382.424 0.631 20 30 GCEDHM COc1ccc(Br)c(S(=O)(=O)[N-]CCn2cnc(C#N)n2)c1 ZINC000285529649 530114418 /nfs/dbraw/zinc/11/44/18/530114418.db2.gz HFDKFFKGHJABKR-UHFFFAOYSA-N -1 3 386.231 0.899 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000557836666 530117496 /nfs/dbraw/zinc/11/74/96/530117496.db2.gz TWZWHENUACJVOZ-SNVBAGLBSA-N -1 3 399.226 0.245 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CSC[C@@H]1C ZINC000571416600 530119919 /nfs/dbraw/zinc/11/99/19/530119919.db2.gz GVGVSZTWSULTRC-SRVKXCTJSA-N -1 3 389.524 0.907 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCCCS2(=O)=O)cc1Cl ZINC000408479132 530132615 /nfs/dbraw/zinc/13/26/15/530132615.db2.gz LSEMQNTYZUEONG-LBPRGKRZSA-N -1 3 376.843 0.984 20 30 GCEDHM N#Cc1ncn(CC[N-]S(=O)(=O)c2cccc(Br)c2C#N)n1 ZINC000561553506 530222770 /nfs/dbraw/zinc/22/27/70/530222770.db2.gz VYZUKTOCIWTRJO-UHFFFAOYSA-N -1 3 381.215 0.762 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000409483767 530229392 /nfs/dbraw/zinc/22/93/92/530229392.db2.gz JBSRDRWHKCHEEV-SNVBAGLBSA-N -1 3 376.232 0.713 20 30 GCEDHM CCOC(=O)[C@H]([N-]S(=O)(=O)N(CCC#N)CCOC)C1CCOCC1 ZINC000409499354 530229821 /nfs/dbraw/zinc/22/98/21/530229821.db2.gz KSOGEVRUDUJHDM-CQSZACIVSA-N -1 3 377.463 0.041 20 30 GCEDHM C[C@@H]1CSC[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000521271917 530231769 /nfs/dbraw/zinc/23/17/69/530231769.db2.gz OWEFEBBXUJRZRY-GHMZBOCLSA-N -1 3 375.497 0.518 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)CCO1 ZINC000410120034 530235389 /nfs/dbraw/zinc/23/53/89/530235389.db2.gz ZUMISFHHZXHMPK-GFCCVEGCSA-N -1 3 383.817 0.949 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(F)c1 ZINC000539386611 530251931 /nfs/dbraw/zinc/25/19/31/530251931.db2.gz PYIIZCIXIHJXCP-WFASDCNBSA-N -1 3 388.442 0.712 20 30 GCEDHM COC[C@](C)(C#N)NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000269603072 530243620 /nfs/dbraw/zinc/24/36/20/530243620.db2.gz PIKDZVAKWNEPQP-NSHDSACASA-N -1 3 396.288 0.834 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCSC1 ZINC000566488232 530278498 /nfs/dbraw/zinc/27/84/98/530278498.db2.gz PNUSHENHZFUQRD-QWRGUYRKSA-N -1 3 375.497 0.661 20 30 GCEDHM C=CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(=O)OC)cc1 ZINC000427781200 530285440 /nfs/dbraw/zinc/28/54/40/530285440.db2.gz AYPOZYNCFZMXIV-UHFFFAOYSA-N -1 3 376.456 0.846 20 30 GCEDHM O=C(C[N-]S(=O)(=O)c1cccs1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000329537925 530288849 /nfs/dbraw/zinc/28/88/49/530288849.db2.gz VEAFQTZSYAEXBN-GFCCVEGCSA-N -1 3 387.483 0.763 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000564741595 530291891 /nfs/dbraw/zinc/29/18/91/530291891.db2.gz UOLBFUTXOCZQHG-RWMBFGLXSA-N -1 3 382.467 0.848 20 30 GCEDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2)s1 ZINC000540313666 530255553 /nfs/dbraw/zinc/25/55/53/530255553.db2.gz LOVCZFIKWSPPNL-UHFFFAOYSA-N -1 3 378.435 0.783 20 30 GCEDHM CC[C@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000451735776 530256271 /nfs/dbraw/zinc/25/62/71/530256271.db2.gz DWZJBYGCJHOJSS-SECBINFHSA-N -1 3 376.416 0.073 20 30 GCEDHM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@@H](C)O ZINC000287972748 530258121 /nfs/dbraw/zinc/25/81/21/530258121.db2.gz YCFRZTHAPFEPPR-RDDDGLTNSA-N -1 3 377.216 0.521 20 30 GCEDHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCOC[C@H]2C#N)c(OC)c1 ZINC000270491457 530260709 /nfs/dbraw/zinc/26/07/09/530260709.db2.gz KICWOVKIFAYXAP-GFCCVEGCSA-N -1 3 389.455 0.370 20 30 GCEDHM CN(CCC#N)C[C@H](O)CNCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000518759475 530331298 /nfs/dbraw/zinc/33/12/98/530331298.db2.gz WYEWJBVSHUQBQE-CYBMUJFWSA-N -1 3 392.884 0.553 20 30 GCEDHM CN(CCC#N)S(=O)(=O)[N-][C@H]1CN(c2ccc(Br)cc2)C1=O ZINC000490420438 530325209 /nfs/dbraw/zinc/32/52/09/530325209.db2.gz ZDQGDFJWHLOFKJ-LBPRGKRZSA-N -1 3 387.259 0.844 20 30 GCEDHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N(CCC#N)CC(F)(F)F)cn1C ZINC000176394570 530333400 /nfs/dbraw/zinc/33/34/00/530333400.db2.gz NRIMHAQVEJCKRU-UHFFFAOYSA-N -1 3 381.380 0.702 20 30 GCEDHM C=CCn1cc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)nn1 ZINC000648334115 530342998 /nfs/dbraw/zinc/34/29/98/530342998.db2.gz SNANFVYKHLLHNU-UHFFFAOYSA-N -1 3 375.863 0.887 20 30 GCEDHM N#CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)NC[C@H](O)C2CC2)CC1 ZINC000580217277 530345184 /nfs/dbraw/zinc/34/51/84/530345184.db2.gz YNLYCBQYPHUJJW-LBPRGKRZSA-N -1 3 385.467 0.070 20 30 GCEDHM C[C@@H](O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000580329192 530376256 /nfs/dbraw/zinc/37/62/56/530376256.db2.gz OLGCXSUWRFIERJ-ABAIWWIYSA-N -1 3 387.483 0.316 20 30 GCEDHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N(C)CC(C)(C)C#N)s1 ZINC000497430284 530383997 /nfs/dbraw/zinc/38/39/97/530383997.db2.gz DZBIZEIGXONTRY-UHFFFAOYSA-N -1 3 386.499 0.671 20 30 GCEDHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@](O)(CC#N)C2)cc1F ZINC000592077242 530412952 /nfs/dbraw/zinc/41/29/52/530412952.db2.gz CNMMKIZSOZINSV-AWEZNQCLSA-N -1 3 391.446 0.626 20 30 GCEDHM COC(=O)CC[C@H]([N-]S(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)OC(C)(C)C ZINC000593615139 530423081 /nfs/dbraw/zinc/42/30/81/530423081.db2.gz LDTYBVASUCJDBO-RYUDHWBXSA-N -1 3 377.463 0.718 20 30 GCEDHM CO[C@@H]1CCC[C@H]1CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000594634673 530436259 /nfs/dbraw/zinc/43/62/59/530436259.db2.gz ZGAIXPYJUULIMS-QWHCGFSZSA-N -1 3 387.483 0.582 20 30 GCEDHM CO[C@H]1CCC[C@H]1CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000594634674 530436314 /nfs/dbraw/zinc/43/63/14/530436314.db2.gz ZGAIXPYJUULIMS-STQMWFEESA-N -1 3 387.483 0.582 20 30 GCEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCOC1 ZINC000594634448 530436330 /nfs/dbraw/zinc/43/63/30/530436330.db2.gz RFIPFMJXANTPDS-OLZOCXBDSA-N -1 3 387.483 0.724 20 30 GCEDHM N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCC(F)(F)C1 ZINC000594635223 530436535 /nfs/dbraw/zinc/43/65/35/530436535.db2.gz RIHVQZWIDJQKBC-JTQLQIEISA-N -1 3 379.410 0.955 20 30 GCEDHM C[C@H]1COCCCN1S(=O)(=O)CCCS(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000594637368 530437552 /nfs/dbraw/zinc/43/75/52/530437552.db2.gz FKOYKNYJUJCUFC-UONOGXRCSA-N -1 3 395.547 0.675 20 30 GCEDHM CSCC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C#N ZINC000594633389 530435008 /nfs/dbraw/zinc/43/50/08/530435008.db2.gz IFVFJAIXUKCWMO-LLVKDONJSA-N -1 3 377.513 0.860 20 30 GCEDHM N#CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)NC[C@@H]2CCOC2)CC1 ZINC000594633629 530435241 /nfs/dbraw/zinc/43/52/41/530435241.db2.gz YTJBWZPIWGJNIL-LBPRGKRZSA-N -1 3 385.467 0.336 20 30 GCEDHM C[C@@H](CO)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C#N ZINC000594633609 530435376 /nfs/dbraw/zinc/43/53/76/530435376.db2.gz XQIRLFRDPPQCOL-VXGBXAGGSA-N -1 3 375.472 0.126 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)C1(CO)CC1 ZINC000595958642 530450728 /nfs/dbraw/zinc/45/07/28/530450728.db2.gz GTVXHMMEWSLGLC-RYUDHWBXSA-N -1 3 387.483 0.316 20 30 GCEDHM COCCN(CCC#N)S(=O)(=O)[N-][C@@H](C[C@@H]1CCCOC1)C(=O)OC ZINC000599455799 530472214 /nfs/dbraw/zinc/47/22/14/530472214.db2.gz FVCKFZLZHIUMTB-KBPBESRZSA-N -1 3 377.463 0.041 20 30 GCEDHM COC1(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)CCC1 ZINC000416404975 530507956 /nfs/dbraw/zinc/50/79/56/530507956.db2.gz YMJHHXGCMYSPJW-UHFFFAOYSA-N -1 3 387.483 0.678 20 30 GCEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CC#N)C1CC1 ZINC000566489100 530530808 /nfs/dbraw/zinc/53/08/08/530530808.db2.gz WJYDGJBROREGEB-GFCCVEGCSA-N -1 3 382.467 0.944 20 30 GCEDHM C=CCC[C@H]([N-]S(=O)(=O)N1CCC[C@@H](C(=O)OCC)C1)C(=O)OCC ZINC000566719950 530533519 /nfs/dbraw/zinc/53/35/19/530533519.db2.gz HSJRKMXQIADEAT-KGLIPLIRSA-N -1 3 376.475 0.994 20 30 GCEDHM C=CCC[C@@H]([N-]S(=O)(=O)N1CCC[C@H](C(=O)OCC)C1)C(=O)OCC ZINC000566719951 530533673 /nfs/dbraw/zinc/53/36/73/530533673.db2.gz HSJRKMXQIADEAT-UONOGXRCSA-N -1 3 376.475 0.994 20 30 GCEDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@H](CS(C)(=O)=O)C2)s1 ZINC000331139216 530539308 /nfs/dbraw/zinc/53/93/08/530539308.db2.gz WOWYBWGNKGMBSW-JTQLQIEISA-N -1 3 395.528 0.437 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCSC1 ZINC000567407814 530542037 /nfs/dbraw/zinc/54/20/37/530542037.db2.gz KLEVYBZHTGWGKH-LBPRGKRZSA-N -1 3 389.524 0.862 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H](O)C(F)F ZINC000567916214 530550841 /nfs/dbraw/zinc/55/08/41/530550841.db2.gz MZXFWJSEYREMQI-UWVGGRQHSA-N -1 3 397.425 0.123 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCCOC1 ZINC000568255797 530556670 /nfs/dbraw/zinc/55/66/70/530556670.db2.gz DDGQZHGUFHYMSQ-QWHCGFSZSA-N -1 3 387.483 0.582 20 30 GCEDHM C[C@@H](CO)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C1(C#N)CCC1 ZINC000568255293 530556776 /nfs/dbraw/zinc/55/67/76/530556776.db2.gz XTNNPNUHFAFRCD-LBPRGKRZSA-N -1 3 387.483 0.412 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](S(C)(=O)=O)C2)ccc1F ZINC000282461424 530559420 /nfs/dbraw/zinc/55/94/20/530559420.db2.gz KSNJNYPITYSWPK-LBPRGKRZSA-N -1 3 390.458 0.549 20 30 GCEDHM O=C(NCC#CCO)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000283740609 530560320 /nfs/dbraw/zinc/56/03/20/530560320.db2.gz OYRVJMUNIXVRAA-CYBMUJFWSA-N -1 3 386.857 0.523 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H](O)C1CC1 ZINC000568647314 530562188 /nfs/dbraw/zinc/56/21/88/530562188.db2.gz PRFQUGQFSUVBOF-AAEUAGOBSA-N -1 3 387.483 0.268 20 30 GCEDHM C=C[C@@H](CO)NC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000290692067 530564298 /nfs/dbraw/zinc/56/42/98/530564298.db2.gz VAAABKOQWDMQMO-AAEUAGOBSA-N -1 3 376.475 0.889 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCS(=O)(=O)C(C)C)ccc1F ZINC000291887120 530565007 /nfs/dbraw/zinc/56/50/07/530565007.db2.gz KDGUOFROBXUOIS-UHFFFAOYSA-N -1 3 392.474 0.843 20 30 GCEDHM C[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2(C#N)CC2)CO1 ZINC000569001700 530566059 /nfs/dbraw/zinc/56/60/59/530566059.db2.gz ICDJELGXWCSDCJ-VXGBXAGGSA-N -1 3 385.467 0.477 20 30 GCEDHM CCN(C1COC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000569258319 530569047 /nfs/dbraw/zinc/56/90/47/530569047.db2.gz BSZWZBHPGAHARK-UHFFFAOYSA-N -1 3 387.483 0.676 20 30 GCEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000572900782 530571981 /nfs/dbraw/zinc/57/19/81/530571981.db2.gz RFWFFDIBVFVPBJ-WGRBQBNCSA-N -1 3 387.483 0.459 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](C)O1 ZINC000573104836 530574970 /nfs/dbraw/zinc/57/49/70/530574970.db2.gz UOAZVNHRBXHCNI-RWMBFGLXSA-N -1 3 387.483 0.723 20 30 GCEDHM COC1(CNS(=O)(=O)c2ccccc2S(=O)(=O)[N-][C@@H](C)C#N)CCC1 ZINC000573458900 530580204 /nfs/dbraw/zinc/58/02/04/530580204.db2.gz JYARRTMCOHNBPK-LBPRGKRZSA-N -1 3 387.483 0.724 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1C[C@H](O)C1(C)C ZINC000574218620 530588541 /nfs/dbraw/zinc/58/85/41/530588541.db2.gz GMIFTQLQTQEILE-GDLCADMTSA-N -1 3 387.483 0.315 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)CN(C)C ZINC000575935447 530604066 /nfs/dbraw/zinc/60/40/66/530604066.db2.gz UBHHVAXUQGAGAN-STQMWFEESA-N -1 3 388.515 0.448 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCSC1 ZINC000573982943 530585411 /nfs/dbraw/zinc/58/54/11/530585411.db2.gz XEWUDTQSUZOCJN-NSHDSACASA-N -1 3 375.497 0.520 20 30 GCEDHM CS(=O)(=O)N1CCC(CS(=O)(=O)[N-]CC(=O)Nc2ccccc2)CC1 ZINC000330056649 530624996 /nfs/dbraw/zinc/62/49/96/530624996.db2.gz WFNZZQYSNAZSGO-UHFFFAOYSA-N -1 3 389.499 0.866 20 30 GCEDHM C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccnnc1 ZINC000348389953 530630595 /nfs/dbraw/zinc/63/05/95/530630595.db2.gz RVBSERCZARIJKD-KGLIPLIRSA-N -1 3 390.487 0.261 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C[C@@H](C)O ZINC000349451341 530636736 /nfs/dbraw/zinc/63/67/36/530636736.db2.gz MYWFREQDVCETPD-NEPJUHHUSA-N -1 3 375.472 0.268 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC1(O)CCC1 ZINC000349453983 530637028 /nfs/dbraw/zinc/63/70/28/530637028.db2.gz PLAUTFXDDGPTCH-LBPRGKRZSA-N -1 3 387.483 0.412 20 30 GCEDHM C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000349459762 530638875 /nfs/dbraw/zinc/63/88/75/530638875.db2.gz HTCPHLCJNWJCEW-ZIAGYGMSSA-N -1 3 393.531 0.307 20 30 GCEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)C(C)(C)C1 ZINC000349458909 530638919 /nfs/dbraw/zinc/63/89/19/530638919.db2.gz GRYUMZZQMJXFBJ-QWHCGFSZSA-N -1 3 395.547 0.267 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C[C@H]1CCOC1 ZINC000349464121 530641705 /nfs/dbraw/zinc/64/17/05/530641705.db2.gz BMGIPODNGGSLMK-QWHCGFSZSA-N -1 3 387.483 0.534 20 30 GCEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(O)C2)C1 ZINC000349467942 530642899 /nfs/dbraw/zinc/64/28/99/530642899.db2.gz TYJFUVWSSFTUBV-ZFWWWQNUSA-N -1 3 393.531 0.165 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCC(=O)C(C)(C)C ZINC000577192050 530618160 /nfs/dbraw/zinc/61/81/60/530618160.db2.gz GWNVWTROLCRGCC-NSHDSACASA-N -1 3 387.483 0.770 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cncc(F)c1 ZINC000349538922 530681156 /nfs/dbraw/zinc/68/11/56/530681156.db2.gz UZZRAHDDSHMZCA-KGLIPLIRSA-N -1 3 393.462 0.615 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC12CCC2 ZINC000349472445 530645196 /nfs/dbraw/zinc/64/51/96/530645196.db2.gz GDYKMMORGKIECE-OAHLLOKOSA-N -1 3 375.516 0.946 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(F)(F)C1 ZINC000349473323 530645433 /nfs/dbraw/zinc/64/54/33/530645433.db2.gz RYQATHJWJVBHAP-JTQLQIEISA-N -1 3 379.410 0.907 20 30 GCEDHM CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N ZINC000349475985 530647039 /nfs/dbraw/zinc/64/70/39/530647039.db2.gz ZCZJGUOEOYLQCW-OLZOCXBDSA-N -1 3 387.483 0.676 20 30 GCEDHM CSCCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000349482057 530651022 /nfs/dbraw/zinc/65/10/22/530651022.db2.gz QLYUWAXZSKREHW-NSHDSACASA-N -1 3 377.513 0.860 20 30 GCEDHM CS[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)C1 ZINC000349490230 530654550 /nfs/dbraw/zinc/65/45/50/530654550.db2.gz GPUCUIUVUXUVJI-GXTWGEPZSA-N -1 3 395.572 0.755 20 30 GCEDHM C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000349496306 530657840 /nfs/dbraw/zinc/65/78/40/530657840.db2.gz GXKPWHGGHSZTOP-TZMCWYRMSA-N -1 3 395.572 0.755 20 30 GCEDHM CC1=CCN(S(=O)(=O)CCCS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)CC1 ZINC000349508374 530664866 /nfs/dbraw/zinc/66/48/66/530664866.db2.gz MLPPZOXYDGNXRV-HNNXBMFYSA-N -1 3 375.516 0.970 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H](C)C1 ZINC000349509624 530665503 /nfs/dbraw/zinc/66/55/03/530665503.db2.gz YAGAIVRPRGNGHO-KBPBESRZSA-N -1 3 397.588 0.859 20 30 GCEDHM CN([C@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000349518899 530670425 /nfs/dbraw/zinc/67/04/25/530670425.db2.gz HWZAAXLGZYHANU-JSGCOSHPSA-N -1 3 379.504 0.039 20 30 GCEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H](O)CC1 ZINC000349529249 530674412 /nfs/dbraw/zinc/67/44/12/530674412.db2.gz VVOATRNBGCOSRM-KGLIPLIRSA-N -1 3 395.547 0.411 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC(F)(F)C1 ZINC000349531512 530675762 /nfs/dbraw/zinc/67/57/62/530675762.db2.gz JWWMZVSMKPXKPF-GFCCVEGCSA-N -1 3 385.458 0.659 20 30 GCEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCSCC1 ZINC000349532748 530676332 /nfs/dbraw/zinc/67/63/32/530676332.db2.gz PGABXJFNSSKTEZ-LBPRGKRZSA-N -1 3 383.561 0.613 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCSCC1 ZINC000349534891 530677404 /nfs/dbraw/zinc/67/74/04/530677404.db2.gz UVWBDTFFYXHVPA-CYBMUJFWSA-N -1 3 381.545 0.367 20 30 GCEDHM C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cn[nH]c1 ZINC000349534738 530677557 /nfs/dbraw/zinc/67/75/57/530677557.db2.gz JFKPHNKLDCYBTA-OLZOCXBDSA-N -1 3 378.476 0.195 20 30 GCEDHM CC(C)(C)NS(=O)(=O)CC[N-]S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000590742339 530693596 /nfs/dbraw/zinc/69/35/96/530693596.db2.gz FFYLMSXPXBBCJW-UHFFFAOYSA-N -1 3 377.463 0.835 20 30 GCEDHM C[C@@H]1CSC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000349562068 530695375 /nfs/dbraw/zinc/69/53/75/530695375.db2.gz ARCVNVOUVOWILO-DYEKYZERSA-N -1 3 395.572 0.659 20 30 GCEDHM C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)CS1 ZINC000349575735 530701519 /nfs/dbraw/zinc/70/15/19/530701519.db2.gz OQIXPOFESWRGRU-MBNYWOFBSA-N -1 3 395.572 0.802 20 30 GCEDHM C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)CO1 ZINC000349576521 530701818 /nfs/dbraw/zinc/70/18/18/530701818.db2.gz PVRBGYOHQXUARN-DYEKYZERSA-N -1 3 379.504 0.085 20 30 GCEDHM N#CC1(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2ncccc2F)CC1 ZINC000349577449 530702026 /nfs/dbraw/zinc/70/20/26/530702026.db2.gz QWXGMJXRIKSJLA-UHFFFAOYSA-N -1 3 376.435 0.576 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1(C#N)CCC1 ZINC000579140972 530739093 /nfs/dbraw/zinc/73/90/93/530739093.db2.gz VBGQEEURLAKFBH-UHFFFAOYSA-N -1 3 382.467 0.803 20 30 GCEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000476508595 530733952 /nfs/dbraw/zinc/73/39/52/530733952.db2.gz LGBPRYLBGNTFHE-AWEZNQCLSA-N -1 3 388.511 0.934 20 30 GCEDHM N#C[C@]1(NC(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)CCOC1 ZINC000478659619 530751533 /nfs/dbraw/zinc/75/15/33/530751533.db2.gz PODMGTCSQQXZSB-LLVKDONJSA-N -1 3 394.272 0.588 20 30 GCEDHM C[C@H](O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000581261540 530755898 /nfs/dbraw/zinc/75/58/98/530755898.db2.gz SHAZUEOQAHNEIO-FZMZJTMJSA-N -1 3 389.499 0.562 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCCSC1 ZINC000581895089 530764365 /nfs/dbraw/zinc/76/43/65/530764365.db2.gz SCGFGDDWPNLJIN-GFCCVEGCSA-N -1 3 389.524 0.910 20 30 GCEDHM CC1(CNS(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2(C#N)CC2)COC1 ZINC000581439663 530758678 /nfs/dbraw/zinc/75/86/78/530758678.db2.gz CTYIIITVOLCBOM-UHFFFAOYSA-N -1 3 385.467 0.336 20 30 GCEDHM C[C@H]1C[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CS1 ZINC000581559344 530760313 /nfs/dbraw/zinc/76/03/13/530760313.db2.gz VVCXNCOAKJSVOW-WDEREUQCSA-N -1 3 375.497 0.661 20 30 GCEDHM C[C@H]1C[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CS1 ZINC000581559343 530760338 /nfs/dbraw/zinc/76/03/38/530760338.db2.gz VVCXNCOAKJSVOW-QWRGUYRKSA-N -1 3 375.497 0.661 20 30 GCEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1cc(OC)c(OC)cc1F)C(=O)OC ZINC000481584026 530779648 /nfs/dbraw/zinc/77/96/48/530779648.db2.gz YAYLIHDTMPPUQA-NSHDSACASA-N -1 3 377.390 0.865 20 30 GCEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)C(=O)OC ZINC000481613016 530779907 /nfs/dbraw/zinc/77/99/07/530779907.db2.gz NCNDETGGVHKJCX-JTQLQIEISA-N -1 3 377.440 0.866 20 30 GCEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC)C(=O)OC ZINC000481603742 530779930 /nfs/dbraw/zinc/77/99/30/530779930.db2.gz AMMZKYBKHLKJOV-GFCCVEGCSA-N -1 3 375.374 0.635 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCCSC1 ZINC000581895090 530764482 /nfs/dbraw/zinc/76/44/82/530764482.db2.gz SCGFGDDWPNLJIN-LBPRGKRZSA-N -1 3 389.524 0.910 20 30 GCEDHM C[C@H](C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)n1cnc(C#N)n1 ZINC000409860925 530829751 /nfs/dbraw/zinc/82/97/51/530829751.db2.gz XXPOEGBIPGVCFC-MRVPVSSYSA-N -1 3 388.862 0.520 20 30 GCEDHM C=CCN(C(=O)CC[N-]S(=O)(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000619565339 530820241 /nfs/dbraw/zinc/82/02/41/530820241.db2.gz IIIOQLDISIPJPK-LBPRGKRZSA-N -1 3 392.524 0.618 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H](O)Cn1ccnn1 ZINC000416549921 530847718 /nfs/dbraw/zinc/84/77/18/530847718.db2.gz PKCPPBAVILMTRN-VIFPVBQESA-N -1 3 386.231 0.252 20 30 GCEDHM CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N=C1[N-]C(=O)CN1 ZINC000050222930 530851641 /nfs/dbraw/zinc/85/16/41/530851641.db2.gz JUEYJKLYDRYIBQ-LBPRGKRZSA-N -1 3 384.483 0.837 20 30 GCEDHM C[C@@H](C#N)CN(C)S(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000499673746 530855935 /nfs/dbraw/zinc/85/59/35/530855935.db2.gz GTMNMZAAPSLHRR-JTQLQIEISA-N -1 3 396.441 0.169 20 30 GCEDHM CSC[C@@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000583034110 530858137 /nfs/dbraw/zinc/85/81/37/530858137.db2.gz DAJTYVRFJGVGDA-WDEREUQCSA-N -1 3 377.513 0.907 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCC[C@@H]1O ZINC000349592863 530898397 /nfs/dbraw/zinc/89/83/97/530898397.db2.gz OOXAMMXGIKZWCL-KCQAQPDRSA-N -1 3 393.531 0.211 20 30 GCEDHM CC(C)(CCS(C)(=O)=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443327212 530898484 /nfs/dbraw/zinc/89/84/84/530898484.db2.gz FTISURQYUIZSRP-UHFFFAOYSA-N -1 3 375.428 0.958 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cnc(C)nc1 ZINC000349537348 530900251 /nfs/dbraw/zinc/90/02/51/530900251.db2.gz PTCGNIODBYKAIA-KGLIPLIRSA-N -1 3 390.487 0.180 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC000349547007 530902893 /nfs/dbraw/zinc/90/28/93/530902893.db2.gz UMBOPMJZVOADPU-JMSVASOKSA-N -1 3 393.531 0.067 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CS(=O)(=O)CCO2)c(C(F)(F)F)c1 ZINC000534335028 530903239 /nfs/dbraw/zinc/90/32/39/530903239.db2.gz CMDTVUNOAVLTQI-JTQLQIEISA-N -1 3 398.384 0.669 20 30 GCEDHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)(C)C#N)cn1 ZINC000349557514 530905880 /nfs/dbraw/zinc/90/58/80/530905880.db2.gz ZEAIGJAWJISBJC-UHFFFAOYSA-N -1 3 375.476 0.386 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](C)[C@@H]1CO ZINC000349480691 530877037 /nfs/dbraw/zinc/87/70/37/530877037.db2.gz LIIWWYYQMPQPGK-AVGNSLFASA-N -1 3 387.483 0.268 20 30 GCEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000508072458 530910524 /nfs/dbraw/zinc/91/05/24/530910524.db2.gz GMUIXHQEWUZXDP-CQSZACIVSA-N -1 3 375.472 0.534 20 30 GCEDHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@](F)(C#N)C1 ZINC000349485718 530878861 /nfs/dbraw/zinc/87/88/61/530878861.db2.gz AYNZNRXYCRINIB-GFCCVEGCSA-N -1 3 379.439 0.117 20 30 GCEDHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)CC(C)(C)C#N ZINC000349490397 530879831 /nfs/dbraw/zinc/87/98/31/530879831.db2.gz HQNFRDQTNQJNIP-UHFFFAOYSA-N -1 3 377.492 0.661 20 30 GCEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)C1 ZINC000349508671 530885265 /nfs/dbraw/zinc/88/52/65/530885265.db2.gz XFBSQLLGFNNJQM-ZFWWWQNUSA-N -1 3 388.515 0.554 20 30 GCEDHM COC(=O)C1([N-]S(=O)(=O)c2ccc(C#N)cc2F)CCS(=O)(=O)CC1 ZINC000548852492 530888595 /nfs/dbraw/zinc/88/85/95/530888595.db2.gz VOWQSKJOJAEZMS-UHFFFAOYSA-N -1 3 390.414 0.096 20 30 GCEDHM C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000349465166 530890005 /nfs/dbraw/zinc/89/00/05/530890005.db2.gz OUAFTYZVQCLSMY-AGIUHOORSA-N -1 3 381.520 0.019 20 30 GCEDHM CCN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C[C@@H]1C ZINC000349469890 530891116 /nfs/dbraw/zinc/89/11/16/530891116.db2.gz LIUAPNOLQKUXME-ZDUSSCGKSA-N -1 3 386.499 0.203 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000349532576 530891625 /nfs/dbraw/zinc/89/16/25/530891625.db2.gz AZAPYMIKESIINX-GUIRCDHDSA-N -1 3 391.515 0.227 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000349575190 530895138 /nfs/dbraw/zinc/89/51/38/530895138.db2.gz OFEYLMJBLBEOJU-GZBFAFLISA-N -1 3 388.515 0.600 20 30 GCEDHM CNS(=O)(=O)c1cccc([C@@H](C)[N-]S(=O)(=O)c2cccnc2C#N)c1 ZINC000428251330 530897026 /nfs/dbraw/zinc/89/70/26/530897026.db2.gz ZDDVNJVGGYCOCG-LLVKDONJSA-N -1 3 380.451 0.901 20 30 GCEDHM CNS(=O)(=O)c1ccc([C@@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428247533 530897276 /nfs/dbraw/zinc/89/72/76/530897276.db2.gz JYWMNDXIZCORIT-LLVKDONJSA-N -1 3 380.451 0.901 20 30 GCEDHM Cc1ccc(S(=O)(=O)NCC[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428260562 530897438 /nfs/dbraw/zinc/89/74/38/530897438.db2.gz AXFMVUOLFYSTDH-UHFFFAOYSA-N -1 3 380.451 0.519 20 30 GCEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCCN1CCCS1(=O)=O ZINC000611016732 530931516 /nfs/dbraw/zinc/93/15/16/530931516.db2.gz CUXSFKIUYXZAGK-UHFFFAOYSA-N -1 3 388.427 0.170 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCC[C@H]1O ZINC000349617134 530913208 /nfs/dbraw/zinc/91/32/08/530913208.db2.gz OOXAMMXGIKZWCL-NFAWXSAZSA-N -1 3 393.531 0.211 20 30 GCEDHM C=CCNC(=O)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC ZINC000510045487 530923703 /nfs/dbraw/zinc/92/37/03/530923703.db2.gz UUKJVTOKEMDWKK-UHFFFAOYSA-N -1 3 375.834 0.289 20 30 GCEDHM C=CCn1cc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)NCC)nn1 ZINC000425178924 530941925 /nfs/dbraw/zinc/94/19/25/530941925.db2.gz ODGAXZZGPAGYKL-UHFFFAOYSA-N -1 3 385.471 0.241 20 30 GCEDHM C=CCn1cc(C[N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)nn1 ZINC000425177662 530941953 /nfs/dbraw/zinc/94/19/53/530941953.db2.gz HUEKUIVXEHNCJB-UHFFFAOYSA-N -1 3 385.471 0.193 20 30 GCEDHM CS(=O)(=O)N1CC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000503704348 530951496 /nfs/dbraw/zinc/95/14/96/530951496.db2.gz NKRJZYAXBDYPFX-LLVKDONJSA-N -1 3 377.875 0.771 20 30 GCEDHM CC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N)C(C)(C)O ZINC000571820615 530981658 /nfs/dbraw/zinc/98/16/58/530981658.db2.gz GUXCOPCTFGAXDJ-FZMZJTMJSA-N -1 3 389.499 0.705 20 30 GCEDHM CN1CCC(C#N)(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000521859383 530970650 /nfs/dbraw/zinc/97/06/50/530970650.db2.gz YEXRCSXNSBEYAF-UHFFFAOYSA-N -1 3 376.891 0.784 20 30 GCEDHM C=CCNC(=O)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1 ZINC000272041355 531005936 /nfs/dbraw/zinc/00/59/36/531005936.db2.gz LDHOPOMVBVIUSZ-UHFFFAOYSA-N -1 3 393.462 0.558 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CS(C)(=O)=O)ccc1F ZINC000264888927 531003113 /nfs/dbraw/zinc/00/31/13/531003113.db2.gz LOOMCTRETIEQDI-SNVBAGLBSA-N -1 3 378.447 0.453 20 30 GCEDHM C=CCN(C(=O)c1cc(S(=O)(=O)[N-]C)oc1C)[C@H]1CCS(=O)(=O)C1 ZINC000267595491 531004771 /nfs/dbraw/zinc/00/47/71/531004771.db2.gz PAXJOEFAQHFPRW-NSHDSACASA-N -1 3 376.456 0.311 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000515500178 531089877 /nfs/dbraw/zinc/08/98/77/531089877.db2.gz UFZRTCMIWBHXJV-UPJWGTAASA-N -1 3 385.467 0.334 20 30 GCEDHM N#C[C@H]1CSCCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000547714235 531102523 /nfs/dbraw/zinc/10/25/23/531102523.db2.gz HFJZWGWHLRWINJ-LBPRGKRZSA-N -1 3 387.508 0.757 20 30 GCEDHM CC[C@@H](CO)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000565229877 531181548 /nfs/dbraw/zinc/18/15/48/531181548.db2.gz PBLWBBRUIJRGPN-LBPRGKRZSA-N -1 3 389.499 0.658 20 30 GCEDHM C=CC[C@H](CO)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000442592375 531187883 /nfs/dbraw/zinc/18/78/83/531187883.db2.gz GFLYDBYREDQQMS-NSHDSACASA-N -1 3 377.413 0.727 20 30 GCEDHM N#CC1(CS(=O)(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000443070418 531196100 /nfs/dbraw/zinc/19/61/00/531196100.db2.gz ALNCSVHNEAGJKC-UHFFFAOYSA-N -1 3 379.410 0.466 20 30 GCEDHM N#CCCCCS(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000443097867 531197191 /nfs/dbraw/zinc/19/71/91/531197191.db2.gz ZUVAQCSJNCYGTM-UHFFFAOYSA-N -1 3 381.426 0.856 20 30 GCEDHM C[C@H](CC#N)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000735964088 598880825 /nfs/dbraw/zinc/88/08/25/598880825.db2.gz VGEHRZLQTJHIOF-MFKMUULPSA-N -1 3 383.368 0.917 20 30 GCEDHM C[C@H](CC#N)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735964088 598880826 /nfs/dbraw/zinc/88/08/26/598880826.db2.gz VGEHRZLQTJHIOF-MFKMUULPSA-N -1 3 383.368 0.917 20 30 GCEDHM C#CC(C)(C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000735374388 598910912 /nfs/dbraw/zinc/91/09/12/598910912.db2.gz BRCUZAQUZFSMBW-ZDUSSCGKSA-N -1 3 381.396 0.600 20 30 GCEDHM C#CC(C)(C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735374388 598910914 /nfs/dbraw/zinc/91/09/14/598910914.db2.gz BRCUZAQUZFSMBW-ZDUSSCGKSA-N -1 3 381.396 0.600 20 30 GCEDHM C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1=O ZINC000736214261 598916230 /nfs/dbraw/zinc/91/62/30/598916230.db2.gz MASRFAYWZYNJCC-QGZVFWFLSA-N -1 3 380.368 0.397 20 30 GCEDHM C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1=O ZINC000736214261 598916232 /nfs/dbraw/zinc/91/62/32/598916232.db2.gz MASRFAYWZYNJCC-QGZVFWFLSA-N -1 3 380.368 0.397 20 30 GCEDHM N#Cc1cc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)ccc1-c1nnn[n-]1 ZINC000737703058 598921184 /nfs/dbraw/zinc/92/11/84/598921184.db2.gz AERRPRTVCBACRR-UHFFFAOYSA-N -1 3 394.395 0.932 20 30 GCEDHM N#Cc1cc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)ccc1-c1nn[n-]n1 ZINC000737703058 598921186 /nfs/dbraw/zinc/92/11/86/598921186.db2.gz AERRPRTVCBACRR-UHFFFAOYSA-N -1 3 394.395 0.932 20 30 GCEDHM CN(CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)S(=O)(=O)c1ccccc1 ZINC000736786744 598922523 /nfs/dbraw/zinc/92/25/23/598922523.db2.gz CXZGWRLVTXATNC-UHFFFAOYSA-N -1 3 397.420 0.998 20 30 GCEDHM CN(CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)S(=O)(=O)c1ccccc1 ZINC000736786744 598922524 /nfs/dbraw/zinc/92/25/24/598922524.db2.gz CXZGWRLVTXATNC-UHFFFAOYSA-N -1 3 397.420 0.998 20 30 GCEDHM C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000735380002 598953975 /nfs/dbraw/zinc/95/39/75/598953975.db2.gz BKANEWSZSRWTPC-UHFFFAOYSA-N -1 3 388.453 0.325 20 30 GCEDHM C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000735380002 598953977 /nfs/dbraw/zinc/95/39/77/598953977.db2.gz BKANEWSZSRWTPC-UHFFFAOYSA-N -1 3 388.453 0.325 20 30 GCEDHM C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735431548 598972621 /nfs/dbraw/zinc/97/26/21/598972621.db2.gz DNMYPKQRRDUTRN-CQSZACIVSA-N -1 3 398.471 0.557 20 30 GCEDHM C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735431548 598972623 /nfs/dbraw/zinc/97/26/23/598972623.db2.gz DNMYPKQRRDUTRN-CQSZACIVSA-N -1 3 398.471 0.557 20 30 GCEDHM C#CCN(CCOc1ccc(-c2nnn[n-]2)cc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000735374094 598985472 /nfs/dbraw/zinc/98/54/72/598985472.db2.gz BRRPOJAGICNMJR-CQSZACIVSA-N -1 3 391.453 0.376 20 30 GCEDHM C#CCN(CCOc1ccc(-c2nn[n-]n2)cc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000735374094 598985474 /nfs/dbraw/zinc/98/54/74/598985474.db2.gz BRRPOJAGICNMJR-CQSZACIVSA-N -1 3 391.453 0.376 20 30 GCEDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCNc1ccc(C#N)cn1 ZINC000737224399 598999491 /nfs/dbraw/zinc/99/94/91/598999491.db2.gz TYZRTHYFLRVVNX-UHFFFAOYSA-N -1 3 384.425 0.832 20 30 GCEDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCNc1ccc(C#N)cn1 ZINC000737224399 598999492 /nfs/dbraw/zinc/99/94/92/598999492.db2.gz TYZRTHYFLRVVNX-UHFFFAOYSA-N -1 3 384.425 0.832 20 30 GCEDHM N#Cc1ccc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000737709230 599002101 /nfs/dbraw/zinc/00/21/01/599002101.db2.gz JPNNUIJQYXJHIO-UHFFFAOYSA-N -1 3 375.396 0.927 20 30 GCEDHM N#Cc1ccc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000737709230 599002103 /nfs/dbraw/zinc/00/21/03/599002103.db2.gz JPNNUIJQYXJHIO-UHFFFAOYSA-N -1 3 375.396 0.927 20 30 GCEDHM N#Cc1ccc([C@H](Sc2nc(N)c(C#N)cc2-c2nnn[n-]2)C(N)=O)cc1 ZINC000737711723 599011919 /nfs/dbraw/zinc/01/19/19/599011919.db2.gz JTNQVABJMKRXMU-LBPRGKRZSA-N -1 3 377.393 0.906 20 30 GCEDHM N#Cc1ccc([C@H](Sc2nc(N)c(C#N)cc2-c2nn[n-]n2)C(N)=O)cc1 ZINC000737711723 599011921 /nfs/dbraw/zinc/01/19/21/599011921.db2.gz JTNQVABJMKRXMU-LBPRGKRZSA-N -1 3 377.393 0.906 20 30 GCEDHM C=CCNC(=O)CN1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000735432144 599041031 /nfs/dbraw/zinc/04/10/31/599041031.db2.gz MZNJISAANIZDRG-UHFFFAOYSA-N -1 3 396.377 0.705 20 30 GCEDHM C=CCNC(=O)CN1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000735432144 599041034 /nfs/dbraw/zinc/04/10/34/599041034.db2.gz MZNJISAANIZDRG-UHFFFAOYSA-N -1 3 396.377 0.705 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000737846261 599056999 /nfs/dbraw/zinc/05/69/99/599056999.db2.gz INICQBPBTGZLPJ-FBMGVBCBSA-N -1 3 398.379 0.705 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000737846261 599057001 /nfs/dbraw/zinc/05/70/01/599057001.db2.gz INICQBPBTGZLPJ-FBMGVBCBSA-N -1 3 398.379 0.705 20 30 GCEDHM Cn1ncc2c1nc(CCC(=O)Nc1ccc(C#N)c(-c3nnn[n-]3)c1)[nH]c2=O ZINC000737621421 599191971 /nfs/dbraw/zinc/19/19/71/599191971.db2.gz GPWTVZNWOOXTIP-UHFFFAOYSA-N -1 3 390.367 0.692 20 30 GCEDHM Cn1ncc2c1nc(CCC(=O)Nc1ccc(C#N)c(-c3nn[n-]n3)c1)[nH]c2=O ZINC000737621421 599191972 /nfs/dbraw/zinc/19/19/72/599191972.db2.gz GPWTVZNWOOXTIP-UHFFFAOYSA-N -1 3 390.367 0.692 20 30 GCEDHM N#CCCN(CCN1CCOCC1)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000822810741 607299787 /nfs/dbraw/zinc/29/97/87/607299787.db2.gz MAPWQRSCQCECGZ-UHFFFAOYSA-N -1 3 390.835 0.603 20 30 GCEDHM N#CCCN(CCN1CCOCC1)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000822810741 607299788 /nfs/dbraw/zinc/29/97/88/607299788.db2.gz MAPWQRSCQCECGZ-UHFFFAOYSA-N -1 3 390.835 0.603 20 30 GCEDHM N#Cc1cc(-c2nnn[n-]2)c(S[C@H]2CCN(CC(F)(F)F)C2=O)nc1N ZINC000737705496 599288398 /nfs/dbraw/zinc/28/83/98/599288398.db2.gz QCCIKIHPLLWELT-QMMMGPOBSA-N -1 3 384.347 0.971 20 30 GCEDHM N#Cc1cc(-c2nn[n-]n2)c(S[C@H]2CCN(CC(F)(F)F)C2=O)nc1N ZINC000737705496 599288399 /nfs/dbraw/zinc/28/83/99/599288399.db2.gz QCCIKIHPLLWELT-QMMMGPOBSA-N -1 3 384.347 0.971 20 30 GCEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1S[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000737705269 599288607 /nfs/dbraw/zinc/28/86/07/599288607.db2.gz NCDYQAYEEHQYGC-MRVPVSSYSA-N -1 3 384.347 0.971 20 30 GCEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1S[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000737705269 599288609 /nfs/dbraw/zinc/28/86/09/599288609.db2.gz NCDYQAYEEHQYGC-MRVPVSSYSA-N -1 3 384.347 0.971 20 30 GCEDHM C[C@H](C#N)COC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000819856317 607323044 /nfs/dbraw/zinc/32/30/44/607323044.db2.gz HZBVSUXLIMFIOU-MFKMUULPSA-N -1 3 383.368 0.775 20 30 GCEDHM C[C@H](C#N)COC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000819856317 607323045 /nfs/dbraw/zinc/32/30/45/607323045.db2.gz HZBVSUXLIMFIOU-MFKMUULPSA-N -1 3 383.368 0.775 20 30 GCEDHM N#CCc1ccc(NC(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737697419 598306194 /nfs/dbraw/zinc/30/61/94/598306194.db2.gz FUFXTUXOWZQPTA-UHFFFAOYSA-N -1 3 397.420 0.850 20 30 GCEDHM N#CCc1ccc(NC(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737697419 598306196 /nfs/dbraw/zinc/30/61/96/598306196.db2.gz FUFXTUXOWZQPTA-UHFFFAOYSA-N -1 3 397.420 0.850 20 30 GCEDHM N#Cc1ccc(C(=O)NCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737711108 598321052 /nfs/dbraw/zinc/32/10/52/598321052.db2.gz ZLSKRHOPIDVTJA-UHFFFAOYSA-N -1 3 379.355 0.924 20 30 GCEDHM N#Cc1ccc(C(=O)NCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737711108 598321053 /nfs/dbraw/zinc/32/10/53/598321053.db2.gz ZLSKRHOPIDVTJA-UHFFFAOYSA-N -1 3 379.355 0.924 20 30 GCEDHM C[C@H](C#N)OC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735507009 598361811 /nfs/dbraw/zinc/36/18/11/598361811.db2.gz YWMCSUQTRNBNFT-LLVKDONJSA-N -1 3 390.425 0.723 20 30 GCEDHM C[C@H](C#N)OC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735507009 598361814 /nfs/dbraw/zinc/36/18/14/598361814.db2.gz YWMCSUQTRNBNFT-LLVKDONJSA-N -1 3 390.425 0.723 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)CCO1 ZINC000737685255 598369989 /nfs/dbraw/zinc/36/99/89/598369989.db2.gz SIQGDZYLLQFRDI-SECBINFHSA-N -1 3 388.331 0.799 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCO1 ZINC000737685255 598369991 /nfs/dbraw/zinc/36/99/91/598369991.db2.gz SIQGDZYLLQFRDI-SECBINFHSA-N -1 3 388.331 0.799 20 30 GCEDHM N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCO1 ZINC000737678789 598374724 /nfs/dbraw/zinc/37/47/24/598374724.db2.gz MHIRKXKYLWVZJV-SECBINFHSA-N -1 3 393.310 0.158 20 30 GCEDHM N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCO1 ZINC000737678789 598374725 /nfs/dbraw/zinc/37/47/25/598374725.db2.gz MHIRKXKYLWVZJV-SECBINFHSA-N -1 3 393.310 0.158 20 30 GCEDHM N#Cc1ccc(C(=O)NCC(=O)NCCNc2ncccc2-c2nnn[n-]2)cc1 ZINC000737709623 598405438 /nfs/dbraw/zinc/40/54/38/598405438.db2.gz MNNZVPSAXJEOKI-UHFFFAOYSA-N -1 3 391.395 0.091 20 30 GCEDHM N#Cc1ccc(C(=O)NCC(=O)NCCNc2ncccc2-c2nn[n-]n2)cc1 ZINC000737709623 598405439 /nfs/dbraw/zinc/40/54/39/598405439.db2.gz MNNZVPSAXJEOKI-UHFFFAOYSA-N -1 3 391.395 0.091 20 30 GCEDHM N#Cc1cccnc1NCCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737727632 598405480 /nfs/dbraw/zinc/40/54/80/598405480.db2.gz PUNLAGNGRVOHLI-UHFFFAOYSA-N -1 3 391.395 0.091 20 30 GCEDHM N#Cc1cccnc1NCCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737727632 598405482 /nfs/dbraw/zinc/40/54/82/598405482.db2.gz PUNLAGNGRVOHLI-UHFFFAOYSA-N -1 3 391.395 0.091 20 30 GCEDHM C=C(C)CN(CC)C(=O)COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735399970 598409566 /nfs/dbraw/zinc/40/95/66/598409566.db2.gz YCINWKYHZGTRIU-UHFFFAOYSA-N -1 3 386.412 0.564 20 30 GCEDHM C=C(C)CN(CC)C(=O)COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735399970 598409567 /nfs/dbraw/zinc/40/95/67/598409567.db2.gz YCINWKYHZGTRIU-UHFFFAOYSA-N -1 3 386.412 0.564 20 30 GCEDHM CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735691265 598409617 /nfs/dbraw/zinc/40/96/17/598409617.db2.gz NZNJLMZWAKNOOT-GOSISDBHSA-N -1 3 399.411 0.194 20 30 GCEDHM CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735691265 598409618 /nfs/dbraw/zinc/40/96/18/598409618.db2.gz NZNJLMZWAKNOOT-GOSISDBHSA-N -1 3 399.411 0.194 20 30 GCEDHM N#CCN1CCC(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737696370 598423196 /nfs/dbraw/zinc/42/31/96/598423196.db2.gz QQAHTJHFBQBZRR-KRWDZBQOSA-N -1 3 380.456 0.940 20 30 GCEDHM N#CCN1CCC(NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000737694920 598424748 /nfs/dbraw/zinc/42/47/48/598424748.db2.gz GNEFIBDRCWRBFQ-UHFFFAOYSA-N -1 3 388.819 0.563 20 30 GCEDHM N#CCN1CCC(NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000737694920 598424750 /nfs/dbraw/zinc/42/47/50/598424750.db2.gz GNEFIBDRCWRBFQ-UHFFFAOYSA-N -1 3 388.819 0.563 20 30 GCEDHM C#CCCN1CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000735376154 598437602 /nfs/dbraw/zinc/43/76/02/598437602.db2.gz ZQLPVJUAUHOYFO-UHFFFAOYSA-N -1 3 391.439 0.416 20 30 GCEDHM C#CCCN1CCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC1 ZINC000735376154 598437604 /nfs/dbraw/zinc/43/76/04/598437604.db2.gz ZQLPVJUAUHOYFO-UHFFFAOYSA-N -1 3 391.439 0.416 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCCN1C(=O)CNC1=O ZINC000735420303 598513882 /nfs/dbraw/zinc/51/38/82/598513882.db2.gz OIXAQHJCLITGCX-UHFFFAOYSA-N -1 3 398.427 0.506 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCCN1C(=O)CNC1=O ZINC000735420303 598513884 /nfs/dbraw/zinc/51/38/84/598513884.db2.gz OIXAQHJCLITGCX-UHFFFAOYSA-N -1 3 398.427 0.506 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)NC2(CCOCC2)C1=O ZINC000735426548 598519088 /nfs/dbraw/zinc/51/90/88/598519088.db2.gz RPGPLDMANQNBBH-UHFFFAOYSA-N -1 3 397.439 0.913 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C(=O)NC2(CCOCC2)C1=O ZINC000735426548 598519089 /nfs/dbraw/zinc/51/90/89/598519089.db2.gz RPGPLDMANQNBBH-UHFFFAOYSA-N -1 3 397.439 0.913 20 30 GCEDHM C=CCN(CC(=O)Nc1sccc1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000735415899 598538510 /nfs/dbraw/zinc/53/85/10/598538510.db2.gz AOVOWQWJVIDBRP-SNVBAGLBSA-N -1 3 382.471 0.542 20 30 GCEDHM C=CCN(CC(=O)Nc1sccc1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000735415899 598538511 /nfs/dbraw/zinc/53/85/11/598538511.db2.gz AOVOWQWJVIDBRP-SNVBAGLBSA-N -1 3 382.471 0.542 20 30 GCEDHM C=CCN(CC(=O)NCc1cccc(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000735417004 598538586 /nfs/dbraw/zinc/53/85/86/598538586.db2.gz WTTFTBFXDCFVIB-HNNXBMFYSA-N -1 3 390.469 0.158 20 30 GCEDHM C=CCN(CC(=O)NCc1cccc(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000735417004 598538588 /nfs/dbraw/zinc/53/85/88/598538588.db2.gz WTTFTBFXDCFVIB-HNNXBMFYSA-N -1 3 390.469 0.158 20 30 GCEDHM CC(C)[C@H](C#N)N1CCN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735690663 598619541 /nfs/dbraw/zinc/61/95/41/598619541.db2.gz LDZBLEPMZYSDNC-WMZOPIPTSA-N -1 3 385.472 0.772 20 30 GCEDHM CC(C)[C@H](C#N)N1CCN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735690657 598619788 /nfs/dbraw/zinc/61/97/88/598619788.db2.gz LDZBLEPMZYSDNC-AEFFLSMTSA-N -1 3 385.472 0.772 20 30 GCEDHM N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737728190 598640835 /nfs/dbraw/zinc/64/08/35/598640835.db2.gz ZAKNTMGRHDYXPK-UHFFFAOYSA-N -1 3 395.358 0.439 20 30 GCEDHM N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737728190 598640837 /nfs/dbraw/zinc/64/08/37/598640837.db2.gz ZAKNTMGRHDYXPK-UHFFFAOYSA-N -1 3 395.358 0.439 20 30 GCEDHM Cc1c(C(=O)C=Cc2cn(C)c(=O)n(C)c2=O)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203045 598640871 /nfs/dbraw/zinc/64/08/71/598640871.db2.gz RLMBTSUFHAZJCQ-VOTSOKGWSA-N -1 3 381.396 0.216 20 30 GCEDHM Cc1c(C(=O)C=Cc2cn(C)c(=O)n(C)c2=O)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203045 598640873 /nfs/dbraw/zinc/64/08/73/598640873.db2.gz RLMBTSUFHAZJCQ-VOTSOKGWSA-N -1 3 381.396 0.216 20 30 GCEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000736182900 598697256 /nfs/dbraw/zinc/69/72/56/598697256.db2.gz HJIJKNQVGAMADA-KLIGIEKFSA-N -1 3 397.395 0.277 20 30 GCEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000736182900 598697257 /nfs/dbraw/zinc/69/72/57/598697257.db2.gz HJIJKNQVGAMADA-KLIGIEKFSA-N -1 3 397.395 0.277 20 30 GCEDHM N#CCCCS(=O)(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000737687694 598709968 /nfs/dbraw/zinc/70/99/68/598709968.db2.gz SUZRARZGUPAJQS-UHFFFAOYSA-N -1 3 379.421 0.761 20 30 GCEDHM N#CCCCS(=O)(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737687694 598709970 /nfs/dbraw/zinc/70/99/70/598709970.db2.gz SUZRARZGUPAJQS-UHFFFAOYSA-N -1 3 379.421 0.761 20 30 GCEDHM C=CCNC(=O)NC(=O)COC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735432181 598714519 /nfs/dbraw/zinc/71/45/19/598714519.db2.gz NLXWODQEOKBWGL-UHFFFAOYSA-N -1 3 376.398 0.514 20 30 GCEDHM C=CCNC(=O)NC(=O)COC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735432181 598714521 /nfs/dbraw/zinc/71/45/21/598714521.db2.gz NLXWODQEOKBWGL-UHFFFAOYSA-N -1 3 376.398 0.514 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCC(=O)NCCNC(C)=O ZINC000735418677 598719333 /nfs/dbraw/zinc/71/93/33/598719333.db2.gz IOLALUHFSOQREH-UHFFFAOYSA-N -1 3 399.455 0.414 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCC(=O)NCCNC(C)=O ZINC000735418677 598719334 /nfs/dbraw/zinc/71/93/34/598719334.db2.gz IOLALUHFSOQREH-UHFFFAOYSA-N -1 3 399.455 0.414 20 30 GCEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000737062334 598729591 /nfs/dbraw/zinc/72/95/91/598729591.db2.gz JERREZNVUXRAQB-PEZBUJJGSA-N -1 3 398.383 0.523 20 30 GCEDHM O=C(NCCNC(=O)C1N=CC=CC1=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738074152 598731274 /nfs/dbraw/zinc/73/12/74/598731274.db2.gz GZTQQXJRKYAUGH-SQFISAMPSA-N -1 3 386.347 0.654 20 30 GCEDHM O=C(NCCNC(=O)C1N=CC=CC1=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738074152 598731275 /nfs/dbraw/zinc/73/12/75/598731275.db2.gz GZTQQXJRKYAUGH-SQFISAMPSA-N -1 3 386.347 0.654 20 30 GCEDHM N#C[C@@H]1CN([C@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCN1C1CC1 ZINC000737678580 598757641 /nfs/dbraw/zinc/75/76/41/598757641.db2.gz KKHZWFGSWQWSQP-CVEARBPZSA-N -1 3 392.423 0.171 20 30 GCEDHM N#C[C@@H]1CN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCN1C1CC1 ZINC000737678580 598757643 /nfs/dbraw/zinc/75/76/43/598757643.db2.gz KKHZWFGSWQWSQP-CVEARBPZSA-N -1 3 392.423 0.171 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCN1C1CC1 ZINC000737679316 598758096 /nfs/dbraw/zinc/75/80/96/598758096.db2.gz PJVPXOGTENGTMF-NSHDSACASA-N -1 3 393.860 0.881 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCN1C1CC1 ZINC000737679316 598758097 /nfs/dbraw/zinc/75/80/97/598758097.db2.gz PJVPXOGTENGTMF-NSHDSACASA-N -1 3 393.860 0.881 20 30 GCEDHM C#CCNC(=O)c1ccc(N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)nc1 ZINC000735382343 598784409 /nfs/dbraw/zinc/78/44/09/598784409.db2.gz ZBXNBSOECYHSFI-UHFFFAOYSA-N -1 3 389.423 0.346 20 30 GCEDHM C#CCNC(=O)c1ccc(N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)nc1 ZINC000735382343 598784410 /nfs/dbraw/zinc/78/44/10/598784410.db2.gz ZBXNBSOECYHSFI-UHFFFAOYSA-N -1 3 389.423 0.346 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)CCS(C)(=O)=O ZINC000819746069 599339288 /nfs/dbraw/zinc/33/92/88/599339288.db2.gz ZHFHDIUURNYZQV-UHFFFAOYSA-N -1 3 385.471 0.229 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)CCS(C)(=O)=O ZINC000819746069 599339291 /nfs/dbraw/zinc/33/92/91/599339291.db2.gz ZHFHDIUURNYZQV-UHFFFAOYSA-N -1 3 385.471 0.229 20 30 GCEDHM N#Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826384450 607370724 /nfs/dbraw/zinc/37/07/24/607370724.db2.gz WHERNYGBFMXRHU-UHFFFAOYSA-N -1 3 390.359 0.894 20 30 GCEDHM N#Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826384450 607370726 /nfs/dbraw/zinc/37/07/26/607370726.db2.gz WHERNYGBFMXRHU-UHFFFAOYSA-N -1 3 390.359 0.894 20 30 GCEDHM C=C(Cl)CNC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000735402427 599390127 /nfs/dbraw/zinc/39/01/27/599390127.db2.gz VKAWEFZOSSZYQX-GFCCVEGCSA-N -1 3 389.803 0.940 20 30 GCEDHM C=C(Cl)CNC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735402427 599390130 /nfs/dbraw/zinc/39/01/30/599390130.db2.gz VKAWEFZOSSZYQX-GFCCVEGCSA-N -1 3 389.803 0.940 20 30 GCEDHM C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000819701859 599602497 /nfs/dbraw/zinc/60/24/97/599602497.db2.gz OMFKKPKQNCLFHN-UHFFFAOYSA-N -1 3 395.423 0.102 20 30 GCEDHM C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000819701859 599602499 /nfs/dbraw/zinc/60/24/99/599602499.db2.gz OMFKKPKQNCLFHN-UHFFFAOYSA-N -1 3 395.423 0.102 20 30 GCEDHM C=CCN(CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000819744194 599638257 /nfs/dbraw/zinc/63/82/57/599638257.db2.gz ZNXPNOCLTYYNLN-OAHLLOKOSA-N -1 3 390.469 0.870 20 30 GCEDHM C=CCN(CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000819744194 599638258 /nfs/dbraw/zinc/63/82/58/599638258.db2.gz ZNXPNOCLTYYNLN-OAHLLOKOSA-N -1 3 390.469 0.870 20 30 GCEDHM C[C@H](NC(=O)NCCNC(=O)C1N=CC=CC1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820365477 599674745 /nfs/dbraw/zinc/67/47/45/599674745.db2.gz JZRYBTYHETZREI-ISOHDOPZSA-N -1 3 396.411 0.753 20 30 GCEDHM N#CC(C(=O)CCNC(=O)[O-])c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000739073657 599798773 /nfs/dbraw/zinc/79/87/73/599798773.db2.gz DXTKJRQSBBTBPV-AWEZNQCLSA-N -1 3 384.396 0.938 20 30 GCEDHM N#CC(C(=O)CCNC(=O)[O-])C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000739073532 599798844 /nfs/dbraw/zinc/79/88/44/599798844.db2.gz DADBBQKOSIDHDE-QMMMGPOBSA-N -1 3 378.297 0.671 20 30 GCEDHM C#CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000823845568 607464309 /nfs/dbraw/zinc/46/43/09/607464309.db2.gz WDBYMGRHFHOLPJ-GFCCVEGCSA-N -1 3 392.441 0.137 20 30 GCEDHM COCCN(CCC#N)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826157900 607464822 /nfs/dbraw/zinc/46/48/22/607464822.db2.gz QJDREVBLWWNQOA-UHFFFAOYSA-N -1 3 377.792 0.847 20 30 GCEDHM COCCN(CCC#N)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826157900 607464823 /nfs/dbraw/zinc/46/48/23/607464823.db2.gz QJDREVBLWWNQOA-UHFFFAOYSA-N -1 3 377.792 0.847 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000823909947 607514226 /nfs/dbraw/zinc/51/42/26/607514226.db2.gz TUNFLAJSDHXMMV-UHFFFAOYSA-N -1 3 391.395 0.740 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000823909947 607514228 /nfs/dbraw/zinc/51/42/28/607514228.db2.gz TUNFLAJSDHXMMV-UHFFFAOYSA-N -1 3 391.395 0.740 20 30 GCEDHM COc1ccc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1-c1nnn[n-]1 ZINC000826197786 607574023 /nfs/dbraw/zinc/57/40/23/607574023.db2.gz CSHHNNUYDSRSJD-AWEZNQCLSA-N -1 3 382.428 0.757 20 30 GCEDHM COc1ccc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1-c1nn[n-]n1 ZINC000826197786 607574024 /nfs/dbraw/zinc/57/40/24/607574024.db2.gz CSHHNNUYDSRSJD-AWEZNQCLSA-N -1 3 382.428 0.757 20 30 GCEDHM COc1ccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1-c1nnn[n-]1 ZINC000826197787 607574495 /nfs/dbraw/zinc/57/44/95/607574495.db2.gz CSHHNNUYDSRSJD-CQSZACIVSA-N -1 3 382.428 0.757 20 30 GCEDHM COc1ccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1-c1nn[n-]n1 ZINC000826197787 607574496 /nfs/dbraw/zinc/57/44/96/607574496.db2.gz CSHHNNUYDSRSJD-CQSZACIVSA-N -1 3 382.428 0.757 20 30 GCEDHM C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000823903624 607593507 /nfs/dbraw/zinc/59/35/07/607593507.db2.gz FDQGNAVHDIUJMX-LLVKDONJSA-N -1 3 383.455 0.231 20 30 GCEDHM C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000823903624 607593509 /nfs/dbraw/zinc/59/35/09/607593509.db2.gz FDQGNAVHDIUJMX-LLVKDONJSA-N -1 3 383.455 0.231 20 30 GCEDHM N#Cc1ccc(C(=O)NC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)[nH]1 ZINC000826384340 607719760 /nfs/dbraw/zinc/71/97/60/607719760.db2.gz RIPZYYIZGCGBLR-AWEZNQCLSA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1ccc(C(=O)NC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)[nH]1 ZINC000826384340 607719761 /nfs/dbraw/zinc/71/97/61/607719761.db2.gz RIPZYYIZGCGBLR-AWEZNQCLSA-N -1 3 379.384 0.333 20 30 GCEDHM CC(C)[C@@](C)(CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824193376 607739470 /nfs/dbraw/zinc/73/94/70/607739470.db2.gz YFUDIYQFIVNMPH-GOSISDBHSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)[C@@](C)(CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824193376 607739471 /nfs/dbraw/zinc/73/94/71/607739471.db2.gz YFUDIYQFIVNMPH-GOSISDBHSA-N -1 3 395.427 0.969 20 30 GCEDHM N#Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[nH]1 ZINC000826384367 607742933 /nfs/dbraw/zinc/74/29/33/607742933.db2.gz SBJOPFZEOZIDQU-PWSUYJOCSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[nH]1 ZINC000826384367 607742934 /nfs/dbraw/zinc/74/29/34/607742934.db2.gz SBJOPFZEOZIDQU-PWSUYJOCSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[nH]1 ZINC000826384493 607742958 /nfs/dbraw/zinc/74/29/58/607742958.db2.gz XSZAZZXLAQZICJ-PWSUYJOCSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[nH]1 ZINC000826384493 607742959 /nfs/dbraw/zinc/74/29/59/607742959.db2.gz XSZAZZXLAQZICJ-PWSUYJOCSA-N -1 3 393.411 0.723 20 30 GCEDHM Cn1cc(C#N)c(NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000822665377 606160207 /nfs/dbraw/zinc/16/02/07/606160207.db2.gz PLLKXBZEFMIPLZ-UHFFFAOYSA-N -1 3 379.388 0.221 20 30 GCEDHM Cn1cc(C#N)c(NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000822665377 606160209 /nfs/dbraw/zinc/16/02/09/606160209.db2.gz PLLKXBZEFMIPLZ-UHFFFAOYSA-N -1 3 379.388 0.221 20 30 GCEDHM C[C@@H](CNC(=O)c1cc(C#N)cn1C)N(C)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820269098 606288204 /nfs/dbraw/zinc/28/82/04/606288204.db2.gz HBFWBZBCCANVBA-NSHDSACASA-N -1 3 395.427 0.306 20 30 GCEDHM C[C@@H](CNC(=O)c1cc(C#N)cn1C)N(C)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820269098 606288206 /nfs/dbraw/zinc/28/82/06/606288206.db2.gz HBFWBZBCCANVBA-NSHDSACASA-N -1 3 395.427 0.306 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)c1 ZINC000822819561 606318911 /nfs/dbraw/zinc/31/89/11/606318911.db2.gz VYUZZLCUWKRNRS-UHFFFAOYSA-N -1 3 379.384 0.429 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)c1 ZINC000822819561 606318913 /nfs/dbraw/zinc/31/89/13/606318913.db2.gz VYUZZLCUWKRNRS-UHFFFAOYSA-N -1 3 379.384 0.429 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000819750882 606347063 /nfs/dbraw/zinc/34/70/63/606347063.db2.gz JSSGOCSVGLSUSY-JTQLQIEISA-N -1 3 384.352 0.448 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000819750882 606347065 /nfs/dbraw/zinc/34/70/65/606347065.db2.gz JSSGOCSVGLSUSY-JTQLQIEISA-N -1 3 384.352 0.448 20 30 GCEDHM C#CCN1CCN(C(=O)CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)CC1 ZINC000819702480 606374869 /nfs/dbraw/zinc/37/48/69/606374869.db2.gz ZXQVFYUCRLDDEF-UHFFFAOYSA-N -1 3 379.468 0.609 20 30 GCEDHM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820803929 606823641 /nfs/dbraw/zinc/82/36/41/606823641.db2.gz JVGPWQFNBYRKJX-JTQLQIEISA-N -1 3 381.425 0.941 20 30 GCEDHM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820803929 606823642 /nfs/dbraw/zinc/82/36/42/606823642.db2.gz JVGPWQFNBYRKJX-JTQLQIEISA-N -1 3 381.425 0.941 20 30 GCEDHM N#Cc1cccnc1N1CCN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822842382 606849681 /nfs/dbraw/zinc/84/96/81/606849681.db2.gz FZPHWBVVBYDOBX-QGZVFWFLSA-N -1 3 376.424 0.989 20 30 GCEDHM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000820788361 606911603 /nfs/dbraw/zinc/91/16/03/606911603.db2.gz FEGAXYPRQVZRMC-BBRMVZONSA-N -1 3 391.439 0.772 20 30 GCEDHM CCc1nnc(NCCNC(=O)C2N=CC=CC2=O)c(-c2nnn[n-]2)c1CC ZINC000821542671 606934143 /nfs/dbraw/zinc/93/41/43/606934143.db2.gz WVEOGTKVCKWASS-VKAVYKQESA-N -1 3 383.416 0.720 20 30 GCEDHM CCc1nnc(NCCNC(=O)C2N=CC=CC2=O)c(-c2nn[n-]n2)c1CC ZINC000821542671 606934145 /nfs/dbraw/zinc/93/41/45/606934145.db2.gz WVEOGTKVCKWASS-VKAVYKQESA-N -1 3 383.416 0.720 20 30 GCEDHM C#CCCCCNC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000819693053 606955459 /nfs/dbraw/zinc/95/54/59/606955459.db2.gz MPWMFZJCHRVQKT-OAHLLOKOSA-N -1 3 395.423 0.991 20 30 GCEDHM C#CCCCCNC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000819693053 606955460 /nfs/dbraw/zinc/95/54/60/606955460.db2.gz MPWMFZJCHRVQKT-OAHLLOKOSA-N -1 3 395.423 0.991 20 30 GCEDHM C#CCCCCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000819693050 606955583 /nfs/dbraw/zinc/95/55/83/606955583.db2.gz MPWMFZJCHRVQKT-HNNXBMFYSA-N -1 3 395.423 0.991 20 30 GCEDHM C#CCCCCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000819693050 606955584 /nfs/dbraw/zinc/95/55/84/606955584.db2.gz MPWMFZJCHRVQKT-HNNXBMFYSA-N -1 3 395.423 0.991 20 30 GCEDHM C=CCN(CC=C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819740151 606976357 /nfs/dbraw/zinc/97/63/57/606976357.db2.gz RHHUKTLJTAGLFE-GFCCVEGCSA-N -1 3 376.442 0.734 20 30 GCEDHM C=CCN(CC=C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819740151 606976358 /nfs/dbraw/zinc/97/63/58/606976358.db2.gz RHHUKTLJTAGLFE-GFCCVEGCSA-N -1 3 376.442 0.734 20 30 GCEDHM CCN(C[C@H](C)C#N)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821170810 606998166 /nfs/dbraw/zinc/99/81/66/606998166.db2.gz XBBVCNXCHHRZKZ-NEPJUHHUSA-N -1 3 391.457 0.542 20 30 GCEDHM CCN(C[C@H](C)C#N)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821170810 606998167 /nfs/dbraw/zinc/99/81/67/606998167.db2.gz XBBVCNXCHHRZKZ-NEPJUHHUSA-N -1 3 391.457 0.542 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C[C@H](C)C#N ZINC000819844898 607000086 /nfs/dbraw/zinc/00/00/86/607000086.db2.gz NRIFKAGNUAYGIE-GHMZBOCLSA-N -1 3 377.430 0.152 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C[C@H](C)C#N ZINC000819844898 607000088 /nfs/dbraw/zinc/00/00/88/607000088.db2.gz NRIFKAGNUAYGIE-GHMZBOCLSA-N -1 3 377.430 0.152 20 30 GCEDHM CC(C)C[C@@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820051072 607019688 /nfs/dbraw/zinc/01/96/88/607019688.db2.gz KPLKHGGGFZOBPA-AAEUAGOBSA-N -1 3 391.457 0.588 20 30 GCEDHM CC(C)C[C@@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820051072 607019689 /nfs/dbraw/zinc/01/96/89/607019689.db2.gz KPLKHGGGFZOBPA-AAEUAGOBSA-N -1 3 391.457 0.588 20 30 GCEDHM C=C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819730267 607022041 /nfs/dbraw/zinc/02/20/41/607022041.db2.gz UPDZWHDDNZOVQA-GFCCVEGCSA-N -1 3 376.442 0.712 20 30 GCEDHM C=C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819730267 607022042 /nfs/dbraw/zinc/02/20/42/607022042.db2.gz UPDZWHDDNZOVQA-GFCCVEGCSA-N -1 3 376.442 0.712 20 30 GCEDHM C=C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819730253 607022109 /nfs/dbraw/zinc/02/21/09/607022109.db2.gz UEKIESBEZAKUTR-GFCCVEGCSA-N -1 3 376.442 0.712 20 30 GCEDHM C=C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819730253 607022110 /nfs/dbraw/zinc/02/21/10/607022110.db2.gz UEKIESBEZAKUTR-GFCCVEGCSA-N -1 3 376.442 0.712 20 30 GCEDHM C#CCN(CC#CC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819697980 607046862 /nfs/dbraw/zinc/04/68/62/607046862.db2.gz PLQJZBDFPFXLIF-CYBMUJFWSA-N -1 3 386.437 0.019 20 30 GCEDHM C#CCN(CC#CC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819697980 607046864 /nfs/dbraw/zinc/04/68/64/607046864.db2.gz PLQJZBDFPFXLIF-CYBMUJFWSA-N -1 3 386.437 0.019 20 30 GCEDHM C#CCN(CC#CC)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819697409 607047126 /nfs/dbraw/zinc/04/71/26/607047126.db2.gz DOYYQDKPJVLWEE-ZDUSSCGKSA-N -1 3 386.437 0.019 20 30 GCEDHM C#CCN(CC#CC)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819697409 607047128 /nfs/dbraw/zinc/04/71/28/607047128.db2.gz DOYYQDKPJVLWEE-ZDUSSCGKSA-N -1 3 386.437 0.019 20 30 GCEDHM C#CCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819692722 607061392 /nfs/dbraw/zinc/06/13/92/607061392.db2.gz IHERLDPBEJQGQH-GFCCVEGCSA-N -1 3 376.442 0.453 20 30 GCEDHM C#CCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819692722 607061393 /nfs/dbraw/zinc/06/13/93/607061393.db2.gz IHERLDPBEJQGQH-GFCCVEGCSA-N -1 3 376.442 0.453 20 30 GCEDHM CC(C)[C@H](C#N)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820444153 607082165 /nfs/dbraw/zinc/08/21/65/607082165.db2.gz HEEPBGUOABXXJD-MFKMUULPSA-N -1 3 378.414 0.625 20 30 GCEDHM CC(C)[C@H](C#N)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820444153 607082167 /nfs/dbraw/zinc/08/21/67/607082167.db2.gz HEEPBGUOABXXJD-MFKMUULPSA-N -1 3 378.414 0.625 20 30 GCEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000820005851 607083812 /nfs/dbraw/zinc/08/38/12/607083812.db2.gz YARFBMRQTHXOKH-UHFFFAOYSA-N -1 3 382.384 0.918 20 30 GCEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000820005851 607083814 /nfs/dbraw/zinc/08/38/14/607083814.db2.gz YARFBMRQTHXOKH-UHFFFAOYSA-N -1 3 382.384 0.918 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCCCC#N ZINC000820450051 607089648 /nfs/dbraw/zinc/08/96/48/607089648.db2.gz GMQFIMOPEKNXJL-NSHDSACASA-N -1 3 378.414 0.771 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCCCC#N ZINC000820450051 607089650 /nfs/dbraw/zinc/08/96/50/607089650.db2.gz GMQFIMOPEKNXJL-NSHDSACASA-N -1 3 378.414 0.771 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H](C#N)C1CC1 ZINC000820444279 607090990 /nfs/dbraw/zinc/09/09/90/607090990.db2.gz IFSXYMPYPVKGEI-TVQRCGJNSA-N -1 3 376.398 0.379 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H](C#N)C1CC1 ZINC000820444279 607090992 /nfs/dbraw/zinc/09/09/92/607090992.db2.gz IFSXYMPYPVKGEI-TVQRCGJNSA-N -1 3 376.398 0.379 20 30 GCEDHM N#Cc1ncn(CC(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000822846256 607208255 /nfs/dbraw/zinc/20/82/55/607208255.db2.gz SFURVAULKCAZNV-UHFFFAOYSA-N -1 3 378.400 0.069 20 30 GCEDHM N#Cc1ncn(CC(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000822846256 607208256 /nfs/dbraw/zinc/20/82/56/607208256.db2.gz SFURVAULKCAZNV-UHFFFAOYSA-N -1 3 378.400 0.069 20 30 GCEDHM CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)co1 ZINC000825875320 607926312 /nfs/dbraw/zinc/92/63/12/607926312.db2.gz KJHXAUJJVHPRNC-UHFFFAOYSA-N -1 3 387.381 0.834 20 30 GCEDHM CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)co1 ZINC000825875320 607926313 /nfs/dbraw/zinc/92/63/13/607926313.db2.gz KJHXAUJJVHPRNC-UHFFFAOYSA-N -1 3 387.381 0.834 20 30 GCEDHM C=CCCOCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823898933 607944663 /nfs/dbraw/zinc/94/46/63/607944663.db2.gz FZHYPCVGRJYSAE-GFCCVEGCSA-N -1 3 394.457 0.242 20 30 GCEDHM C=CCCOCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823898933 607944664 /nfs/dbraw/zinc/94/46/64/607944664.db2.gz FZHYPCVGRJYSAE-GFCCVEGCSA-N -1 3 394.457 0.242 20 30 GCEDHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N(C)CCCc1[nH]nc(N)c1C#N ZINC000826116560 608036334 /nfs/dbraw/zinc/03/63/34/608036334.db2.gz ASPUHJJMLMJLHA-HNNXBMFYSA-N -1 3 395.427 0.822 20 30 GCEDHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N(C)CCCc1[nH]nc(N)c1C#N ZINC000826116560 608036335 /nfs/dbraw/zinc/03/63/35/608036335.db2.gz ASPUHJJMLMJLHA-HNNXBMFYSA-N -1 3 395.427 0.822 20 30 GCEDHM C=CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823924951 608067847 /nfs/dbraw/zinc/06/78/47/608067847.db2.gz BRJFMQVEVXZMQC-DOMZBBRYSA-N -1 3 385.428 0.640 20 30 GCEDHM C=CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823924951 608067848 /nfs/dbraw/zinc/06/78/48/608067848.db2.gz BRJFMQVEVXZMQC-DOMZBBRYSA-N -1 3 385.428 0.640 20 30 GCEDHM CC#CCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1-c1nnn[n-]1 ZINC000823937396 608096842 /nfs/dbraw/zinc/09/68/42/608096842.db2.gz VZMBARFDOQAIBS-ZDUSSCGKSA-N -1 3 383.437 0.958 20 30 GCEDHM CC#CCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1-c1nn[n-]n1 ZINC000823937396 608096843 /nfs/dbraw/zinc/09/68/43/608096843.db2.gz VZMBARFDOQAIBS-ZDUSSCGKSA-N -1 3 383.437 0.958 20 30 GCEDHM CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCCC#N)cc1-c1nnn[n-]1 ZINC000825523863 608142565 /nfs/dbraw/zinc/14/25/65/608142565.db2.gz WRSHAEQRYBWGRV-UHFFFAOYSA-N -1 3 386.372 0.794 20 30 GCEDHM CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCCC#N)cc1-c1nn[n-]n1 ZINC000825523863 608142566 /nfs/dbraw/zinc/14/25/66/608142566.db2.gz WRSHAEQRYBWGRV-UHFFFAOYSA-N -1 3 386.372 0.794 20 30 GCEDHM C#CCOCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823856659 608145062 /nfs/dbraw/zinc/14/50/62/608145062.db2.gz VSVWDEZHEZISHH-UHFFFAOYSA-N -1 3 382.302 0.590 20 30 GCEDHM C#CCOCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823856659 608145063 /nfs/dbraw/zinc/14/50/63/608145063.db2.gz VSVWDEZHEZISHH-UHFFFAOYSA-N -1 3 382.302 0.590 20 30 GCEDHM CN(CCC#N)C(=O)CCN1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000825914769 608204470 /nfs/dbraw/zinc/20/44/70/608204470.db2.gz NGPNFPCDCRLNDG-UHFFFAOYSA-N -1 3 399.459 0.616 20 30 GCEDHM CN(CCC#N)C(=O)CCN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825914769 608204471 /nfs/dbraw/zinc/20/44/71/608204471.db2.gz NGPNFPCDCRLNDG-UHFFFAOYSA-N -1 3 399.459 0.616 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CCN1C1CC1 ZINC000826380458 608333777 /nfs/dbraw/zinc/33/37/77/608333777.db2.gz BBHGPJRRRMKPAD-CQSZACIVSA-N -1 3 391.432 0.508 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CCN1C1CC1 ZINC000826380458 608333778 /nfs/dbraw/zinc/33/37/78/608333778.db2.gz BBHGPJRRRMKPAD-CQSZACIVSA-N -1 3 391.432 0.508 20 30 GCEDHM C#CCN(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000823844603 608336856 /nfs/dbraw/zinc/33/68/56/608336856.db2.gz CTPAUGQZRBFABY-LLVKDONJSA-N -1 3 378.389 0.660 20 30 GCEDHM C#CCN(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000823844603 608336857 /nfs/dbraw/zinc/33/68/57/608336857.db2.gz CTPAUGQZRBFABY-LLVKDONJSA-N -1 3 378.389 0.660 20 30 GCEDHM C#CCN(C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000823844943 608336940 /nfs/dbraw/zinc/33/69/40/608336940.db2.gz LAILOLVFCSGNPR-IUODEOHRSA-N -1 3 388.453 0.760 20 30 GCEDHM C#CCN(C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000823844943 608336942 /nfs/dbraw/zinc/33/69/42/608336942.db2.gz LAILOLVFCSGNPR-IUODEOHRSA-N -1 3 388.453 0.760 20 30 GCEDHM C#CCN(C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000823844972 608352024 /nfs/dbraw/zinc/35/20/24/608352024.db2.gz LVIOLXZMPLFEON-WFASDCNBSA-N -1 3 388.453 0.760 20 30 GCEDHM C#CCN(C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000823844972 608352025 /nfs/dbraw/zinc/35/20/25/608352025.db2.gz LVIOLXZMPLFEON-WFASDCNBSA-N -1 3 388.453 0.760 20 30 GCEDHM C[C@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN2CCSC[C@@H]2C#N)C1=O ZINC000824843214 608398131 /nfs/dbraw/zinc/39/81/31/608398131.db2.gz BNMFQLWRYXVHRS-SUMWQHHRSA-N -1 3 398.452 0.532 20 30 GCEDHM C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CCSC[C@@H]2C#N)C1=O ZINC000824843214 608398133 /nfs/dbraw/zinc/39/81/33/608398133.db2.gz BNMFQLWRYXVHRS-SUMWQHHRSA-N -1 3 398.452 0.532 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)C1=O ZINC000823920176 608445731 /nfs/dbraw/zinc/44/57/31/608445731.db2.gz ZKUVSIUZKZFDHX-UHFFFAOYSA-N -1 3 388.315 0.026 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)C1=O ZINC000823920176 608445733 /nfs/dbraw/zinc/44/57/33/608445733.db2.gz ZKUVSIUZKZFDHX-UHFFFAOYSA-N -1 3 388.315 0.026 20 30 GCEDHM C#C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823838336 608454800 /nfs/dbraw/zinc/45/48/00/608454800.db2.gz OHJQULNKZBKNDF-YGRLFVJLSA-N -1 3 375.410 0.489 20 30 GCEDHM C#C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823838336 608454802 /nfs/dbraw/zinc/45/48/02/608454802.db2.gz OHJQULNKZBKNDF-YGRLFVJLSA-N -1 3 375.410 0.489 20 30 GCEDHM C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000823888727 608470286 /nfs/dbraw/zinc/47/02/86/608470286.db2.gz UXZQNGMKBQERLI-GFCCVEGCSA-N -1 3 388.428 0.893 20 30 GCEDHM C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000823888727 608470287 /nfs/dbraw/zinc/47/02/87/608470287.db2.gz UXZQNGMKBQERLI-GFCCVEGCSA-N -1 3 388.428 0.893 20 30 GCEDHM CC(C)[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)N1CCCS1(=O)=O ZINC000824184928 608493959 /nfs/dbraw/zinc/49/39/59/608493959.db2.gz OFQBLCQKMPRQPX-AWEZNQCLSA-N -1 3 389.441 0.737 20 30 GCEDHM CC(C)[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)N1CCCS1(=O)=O ZINC000824184928 608493960 /nfs/dbraw/zinc/49/39/60/608493960.db2.gz OFQBLCQKMPRQPX-AWEZNQCLSA-N -1 3 389.441 0.737 20 30 GCEDHM CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000825938679 608558373 /nfs/dbraw/zinc/55/83/73/608558373.db2.gz VOWXFRMYWGCHDW-UHFFFAOYSA-N -1 3 386.807 0.797 20 30 GCEDHM CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000825938679 608558375 /nfs/dbraw/zinc/55/83/75/608558375.db2.gz VOWXFRMYWGCHDW-UHFFFAOYSA-N -1 3 386.807 0.797 20 30 GCEDHM COCC#CCN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826147084 608584351 /nfs/dbraw/zinc/58/43/51/608584351.db2.gz NCXOXXRZJZSRDG-OAHLLOKOSA-N -1 3 391.453 0.686 20 30 GCEDHM COCC#CCN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826147084 608584353 /nfs/dbraw/zinc/58/43/53/608584353.db2.gz NCXOXXRZJZSRDG-OAHLLOKOSA-N -1 3 391.453 0.686 20 30 GCEDHM N#Cc1nc(N)n(CC(=O)Nc2nc(-c3ccco3)cs2)c1-c1nnn[n-]1 ZINC000826387821 609176592 /nfs/dbraw/zinc/17/65/92/609176592.db2.gz STNYTKPXGFUCRG-UHFFFAOYSA-N -1 3 382.369 0.872 20 30 GCEDHM N#Cc1nc(N)n(CC(=O)Nc2nc(-c3ccco3)cs2)c1-c1nn[n-]n1 ZINC000826387821 609176593 /nfs/dbraw/zinc/17/65/93/609176593.db2.gz STNYTKPXGFUCRG-UHFFFAOYSA-N -1 3 382.369 0.872 20 30 GCEDHM N#Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)[nH]1 ZINC000826384529 609179322 /nfs/dbraw/zinc/17/93/22/609179322.db2.gz YVKQTHSTJILUCK-HNNXBMFYSA-N -1 3 376.380 0.992 20 30 GCEDHM N#Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)[nH]1 ZINC000826384529 609179323 /nfs/dbraw/zinc/17/93/23/609179323.db2.gz YVKQTHSTJILUCK-HNNXBMFYSA-N -1 3 376.380 0.992 20 30 GCEDHM CN(CCCCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(=O)c1c[nH]c(C#N)c1 ZINC000825919174 609227970 /nfs/dbraw/zinc/22/79/70/609227970.db2.gz WSWWRGNRNWOMCS-UHFFFAOYSA-N -1 3 381.400 0.677 20 30 GCEDHM CN(CCCCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(=O)c1c[nH]c(C#N)c1 ZINC000825919174 609227972 /nfs/dbraw/zinc/22/79/72/609227972.db2.gz WSWWRGNRNWOMCS-UHFFFAOYSA-N -1 3 381.400 0.677 20 30 GCEDHM Cc1cc(NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)nn1CCC#N ZINC000826270409 609274620 /nfs/dbraw/zinc/27/46/20/609274620.db2.gz ZBKWLICOBOQQQP-UHFFFAOYSA-N -1 3 381.404 0.914 20 30 GCEDHM Cc1cc(NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)nn1CCC#N ZINC000826270409 609274622 /nfs/dbraw/zinc/27/46/22/609274622.db2.gz ZBKWLICOBOQQQP-UHFFFAOYSA-N -1 3 381.404 0.914 20 30 GCEDHM CC(C)Oc1ccc(NC(=O)C(=O)Nc2cnn(CC#N)c2)cc1-c1nnn[n-]1 ZINC000824324744 609413113 /nfs/dbraw/zinc/41/31/13/609413113.db2.gz UBWUKTWHILUDDO-UHFFFAOYSA-N -1 3 395.383 0.951 20 30 GCEDHM CC(C)Oc1ccc(NC(=O)C(=O)Nc2cnn(CC#N)c2)cc1-c1nn[n-]n1 ZINC000824324744 609413115 /nfs/dbraw/zinc/41/31/15/609413115.db2.gz UBWUKTWHILUDDO-UHFFFAOYSA-N -1 3 395.383 0.951 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000823909455 609413150 /nfs/dbraw/zinc/41/31/50/609413150.db2.gz FDNMUVGOSHHTKK-UHFFFAOYSA-N -1 3 393.407 0.719 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000823909455 609413152 /nfs/dbraw/zinc/41/31/52/609413152.db2.gz FDNMUVGOSHHTKK-UHFFFAOYSA-N -1 3 393.407 0.719 20 30 GCEDHM CC(C)[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824191871 609457674 /nfs/dbraw/zinc/45/76/74/609457674.db2.gz HIANHKZRVNJAKM-AWEZNQCLSA-N -1 3 381.400 0.579 20 30 GCEDHM CC(C)[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824191871 609457676 /nfs/dbraw/zinc/45/76/76/609457676.db2.gz HIANHKZRVNJAKM-AWEZNQCLSA-N -1 3 381.400 0.579 20 30 GCEDHM CC(C)C[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824237557 609458039 /nfs/dbraw/zinc/45/80/39/609458039.db2.gz TTWYZFALMUEUCN-CQSZACIVSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)C[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824237557 609458041 /nfs/dbraw/zinc/45/80/41/609458041.db2.gz TTWYZFALMUEUCN-CQSZACIVSA-N -1 3 395.427 0.969 20 30 GCEDHM N#Cc1ccc([C@H](OC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C(N)=O)cc1 ZINC000826384840 609629794 /nfs/dbraw/zinc/62/97/94/609629794.db2.gz LOPGODUZGVWHFF-CABCVRRESA-N -1 3 378.348 0.542 20 30 GCEDHM N#Cc1ccc([C@H](OC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C(N)=O)cc1 ZINC000826384840 609629795 /nfs/dbraw/zinc/62/97/95/609629795.db2.gz LOPGODUZGVWHFF-CABCVRRESA-N -1 3 378.348 0.542 20 30 GCEDHM N#Cc1ccc([C@H](O)C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826384623 609629809 /nfs/dbraw/zinc/62/98/09/609629809.db2.gz COXWAWVUKONWHS-GJZGRUSLSA-N -1 3 378.348 0.542 20 30 GCEDHM N#Cc1ccc([C@H](O)C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826384623 609629810 /nfs/dbraw/zinc/62/98/10/609629810.db2.gz COXWAWVUKONWHS-GJZGRUSLSA-N -1 3 378.348 0.542 20 30 GCEDHM COC(=O)c1ccc(S(=O)(=O)[N-]CCNC(=O)C2N=CC=CC2=O)s1 ZINC000735080498 640012754 /nfs/dbraw/zinc/01/27/54/640012754.db2.gz IAMYMSBRECBGGD-OUKQBFOZSA-N -1 3 385.423 0.339 20 30 GCEDHM CN(C)c1nc(CNC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cs1 ZINC000746866180 640299734 /nfs/dbraw/zinc/29/97/34/640299734.db2.gz AJNYTGRCCMDFBI-UHFFFAOYSA-N -1 3 379.467 0.564 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)S(C)(=O)=O)ccc1F ZINC000748739549 640330324 /nfs/dbraw/zinc/33/03/24/640330324.db2.gz HERBDMDJYKTLPW-UHFFFAOYSA-N -1 3 392.474 0.843 20 30 GCEDHM Cc1sc(C(N)=O)cc1NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000759618197 640554307 /nfs/dbraw/zinc/55/43/07/640554307.db2.gz MRJZSIQPXWEHCK-UHFFFAOYSA-N -1 3 378.435 0.833 20 30 GCEDHM COC(=O)CN(CC#N)C(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760615976 640577167 /nfs/dbraw/zinc/57/71/67/640577167.db2.gz OBVPRQMACBHXQN-SNVBAGLBSA-N -1 3 388.833 0.317 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CCS(C)(=O)=O)ccc1F ZINC000762200562 640603753 /nfs/dbraw/zinc/60/37/53/640603753.db2.gz ISNKXYYPMOHTCM-LLVKDONJSA-N -1 3 392.474 0.843 20 30 GCEDHM COC(=O)[C@H](CC(F)F)NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000762349345 640605946 /nfs/dbraw/zinc/60/59/46/640605946.db2.gz HJTMMSQMXIZSAV-VIFPVBQESA-N -1 3 375.353 0.038 20 30 GCEDHM COC(=O)[C@@H](CC(F)F)NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000762349343 640606036 /nfs/dbraw/zinc/60/60/36/640606036.db2.gz HJTMMSQMXIZSAV-SECBINFHSA-N -1 3 375.353 0.038 20 30 GCEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)CCS(C)(=O)=O)C1=O ZINC000767531891 640727041 /nfs/dbraw/zinc/72/70/41/640727041.db2.gz KVFMMPVGOVTORK-CQSZACIVSA-N -1 3 397.519 0.536 20 30 GCEDHM C=CCN(CC(=O)OCC)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000771177472 640821062 /nfs/dbraw/zinc/82/10/62/640821062.db2.gz RNUQRGOMUWIJFN-UHFFFAOYSA-N -1 3 394.446 0.937 20 30 GCEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC)[C@@H]1CCCO1 ZINC000773056049 640854291 /nfs/dbraw/zinc/85/42/91/640854291.db2.gz LRFXPEDOXQMNGC-ZJUUUORDSA-N -1 3 387.435 0.780 20 30 GCEDHM C#C[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)[C@H]1CCCO1 ZINC000773058870 640854838 /nfs/dbraw/zinc/85/48/38/640854838.db2.gz VMBIIHITIJELDW-TZMCWYRMSA-N -1 3 376.431 0.656 20 30 GCEDHM C#C[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)[C@@H]1CCCO1 ZINC000773058864 640854865 /nfs/dbraw/zinc/85/48/65/640854865.db2.gz VMBIIHITIJELDW-JSGCOSHPSA-N -1 3 376.431 0.656 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]N=c2ccc(S(N)(=O)=O)c[nH]2)c(Cl)c1 ZINC000779830886 641196009 /nfs/dbraw/zinc/19/60/09/641196009.db2.gz OCHBRBHBSXOYGX-UHFFFAOYSA-N -1 3 387.830 0.559 20 30 GCEDHM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867569342 641357545 /nfs/dbraw/zinc/35/75/45/641357545.db2.gz YHQPBSFUTZAPAO-VIFPVBQESA-N -1 3 397.238 0.731 20 30 GCEDHM C=C(Cl)C[C@H]([N-]S(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)OCC ZINC000867591773 641360399 /nfs/dbraw/zinc/36/03/99/641360399.db2.gz DUDWJFCLRKPQEB-LBPRGKRZSA-N -1 3 382.866 0.734 20 30 GCEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)OC ZINC000795399898 641517814 /nfs/dbraw/zinc/51/78/14/641517814.db2.gz AWZRSTUIYVOMEN-SECBINFHSA-N -1 3 392.817 0.544 20 30 GCEDHM C#CCN1CCC[C@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C1 ZINC000885511428 641807154 /nfs/dbraw/zinc/80/71/54/641807154.db2.gz IAMFNPWOAONMRF-LBPRGKRZSA-N -1 3 389.474 0.573 20 30 GCEDHM CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000816752473 641864602 /nfs/dbraw/zinc/86/46/02/641864602.db2.gz FDLFEGOHCGCCAS-LBPRGKRZSA-N -1 3 375.834 0.700 20 30 GCEDHM CS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000820471238 641960921 /nfs/dbraw/zinc/96/09/21/641960921.db2.gz QEIYILOMGKQNEB-LLVKDONJSA-N -1 3 391.243 0.963 20 30 GCEDHM Cn1ncc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c1I ZINC000933741751 642021342 /nfs/dbraw/zinc/02/13/42/642021342.db2.gz GUBZYFATGYERTM-ZCFIWIBFSA-N -1 3 379.158 0.526 20 30 GCEDHM Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)N[C@H]2CNC[C@@H]2C#N)cn1 ZINC000834494078 642213513 /nfs/dbraw/zinc/21/35/13/642213513.db2.gz JTMBWYCYLKOGDI-ONGXEEELSA-N -1 3 380.455 0.124 20 30 GCEDHM CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C=NN1CC(=O)[N-]C1=O ZINC000834932323 642220300 /nfs/dbraw/zinc/22/03/00/642220300.db2.gz FBBIFXVVULDYDS-MRVPVSSYSA-N -1 3 383.202 0.848 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC(S(=O)(=O)CC)C2)ccc1F ZINC000836903582 642257923 /nfs/dbraw/zinc/25/79/23/642257923.db2.gz HZMRYDGPSCAPBV-UHFFFAOYSA-N -1 3 390.458 0.549 20 30 GCEDHM C[C@@H](CC(=O)N1CC[C@@](O)(CC#N)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000844015060 642388465 /nfs/dbraw/zinc/38/84/65/642388465.db2.gz BXMXJQGJFCMPKU-NHYWBVRUSA-N -1 3 386.861 0.669 20 30 GCEDHM CC(C)(C#N)CCS(=O)(=O)[N-]N=c1ccc(S(=O)(=O)NC2CC2)c[nH]1 ZINC000844649234 642404834 /nfs/dbraw/zinc/40/48/34/642404834.db2.gz ZLROTSBQNXMZQF-UHFFFAOYSA-N -1 3 387.487 0.708 20 30 GCEDHM O=C(CCNS(=O)(=O)c1ccccc1Cl)N[C@@H]1CCCN([O-])C1=O ZINC000848137224 642528836 /nfs/dbraw/zinc/52/88/36/642528836.db2.gz BBWGJZHTRYOIGC-LLVKDONJSA-N -1 3 375.834 0.505 20 30 GCEDHM C[C@@H](CC(=O)N[C@@H]1CCCN([O-])C1=O)NS(=O)(=O)c1cccnc1Cl ZINC000848139602 642528866 /nfs/dbraw/zinc/52/88/66/642528866.db2.gz ZMWRKEUHVOTMJO-VHSXEESVSA-N -1 3 390.849 0.288 20 30 GCEDHM C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cnc(CC)nc1 ZINC000848961021 642584205 /nfs/dbraw/zinc/58/42/05/642584205.db2.gz QMBXYXNMJLEGSO-UHFFFAOYSA-N -1 3 388.515 0.844 20 30 GCEDHM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cncc(F)c1)C(C)C ZINC000848963626 642594997 /nfs/dbraw/zinc/59/49/97/642594997.db2.gz XJBPKOVHPMVOJM-AWEZNQCLSA-N -1 3 377.463 0.930 20 30 GCEDHM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cncc(F)c1)C(C)C ZINC000848963627 642595159 /nfs/dbraw/zinc/59/51/59/642595159.db2.gz XJBPKOVHPMVOJM-CQSZACIVSA-N -1 3 377.463 0.930 20 30 GCEDHM C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1cnccc1SC ZINC000848965245 642602689 /nfs/dbraw/zinc/60/26/89/642602689.db2.gz LUVIINRZUWGLNB-NSHDSACASA-N -1 3 377.513 0.876 20 30 GCEDHM C#CC(C)(C)N(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1cnc(C)nc1 ZINC000848969173 642618067 /nfs/dbraw/zinc/61/80/67/642618067.db2.gz BDMIRCRAGJEERH-UHFFFAOYSA-N -1 3 388.515 0.980 20 30 GCEDHM N#Cc1cn(CC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)c(=O)[n-]c1=O ZINC001648937322 1192376043 /nfs/dbraw/zinc/37/60/43/1192376043.db2.gz CUTKQDMSKXPGNH-KRWDZBQOSA-N -1 3 381.436 0.991 20 30 GCEDHM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000512181544 1192499997 /nfs/dbraw/zinc/49/99/97/1192499997.db2.gz NYVHRRRKDHAKSX-NSHDSACASA-N -1 3 378.396 0.686 20 30 GCEDHM C[C@H](CC(=O)O[C@@H](C)CN1CCOCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000784918648 1184161949 /nfs/dbraw/zinc/16/19/49/1184161949.db2.gz MNCUZUNVBFANDP-KGLIPLIRSA-N -1 3 395.481 0.768 20 30 GCEDHM CC(C)(C)N1CC[C@@H](NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1=O ZINC000843621347 1187148986 /nfs/dbraw/zinc/14/89/86/1187148986.db2.gz WFFJOLSLPYBOCO-GFCCVEGCSA-N -1 3 378.454 0.241 20 30 GCEDHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000377650570 1188097697 /nfs/dbraw/zinc/09/76/97/1188097697.db2.gz RZAHOCOVUMCTLJ-CYBMUJFWSA-N -1 3 380.470 0.749 20 30 GCEDHM COC(=O)[C@@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)Cc1ccc([O-])c(F)c1 ZINC000420764808 1194263608 /nfs/dbraw/zinc/26/36/08/1194263608.db2.gz KLODTUHDYDJNAO-DGCLKSJQSA-N -1 3 387.433 0.789 20 30 GCEDHM CN(Cc1cc(=O)[n-]c(N)n1)[C@@H]1CCN(C(=O)CNc2cccc(C#N)c2)C1 ZINC000435042013 1194884177 /nfs/dbraw/zinc/88/41/77/1194884177.db2.gz KRCSLHSNSOIJNQ-MRXNPFEDSA-N -1 3 381.440 0.781 20 30 GCEDHM N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)nc1 ZINC000436703084 1195026848 /nfs/dbraw/zinc/02/68/48/1195026848.db2.gz FYHRZNAQZJOZGY-UHFFFAOYSA-N -1 3 379.376 0.582 20 30 GCEDHM N#Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3ccc([O-])cc3)C2=O)cc1 ZINC000516945680 1195114178 /nfs/dbraw/zinc/11/41/78/1195114178.db2.gz RNCUWZUTPXFTGW-GOSISDBHSA-N -1 3 392.415 0.911 20 30 GCEDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000440354874 1195410072 /nfs/dbraw/zinc/41/00/72/1195410072.db2.gz LHNKAPAUIOMDSL-UHFFFAOYSA-N -1 3 377.382 0.641 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CN2CCOCC2)ccc1F ZINC000044535474 1195464873 /nfs/dbraw/zinc/46/48/73/1195464873.db2.gz SDKKCJNQBTYRAZ-CYBMUJFWSA-N -1 3 385.461 0.741 20 30 GCEDHM Cc1ccc(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)cc1S(=O)(=O)NCC#N ZINC000427133572 1195509180 /nfs/dbraw/zinc/50/91/80/1195509180.db2.gz PTKBEESGEXPOFQ-UHFFFAOYSA-N -1 3 377.382 0.559 20 30 GCEDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000522257794 1196068758 /nfs/dbraw/zinc/06/87/58/1196068758.db2.gz XBVNJPHGECZCLV-CQSZACIVSA-N -1 3 377.426 0.120 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(=O)N(C)C)C2)ccc1F ZINC000840507241 1196143146 /nfs/dbraw/zinc/14/31/46/1196143146.db2.gz OUSNJODPQCTILR-CYBMUJFWSA-N -1 3 383.445 0.840 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)N(C)C)C2)ccc1F ZINC000840507243 1196143296 /nfs/dbraw/zinc/14/32/96/1196143296.db2.gz OUSNJODPQCTILR-ZDUSSCGKSA-N -1 3 383.445 0.840 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@](C)(C(=O)NC)C2)ccc1F ZINC000281280212 1196286652 /nfs/dbraw/zinc/28/66/52/1196286652.db2.gz ZDERHQQACRFXIW-KRWDZBQOSA-N -1 3 383.445 0.888 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@](C)(C(=O)NC)C2)ccc1F ZINC000281280213 1196286818 /nfs/dbraw/zinc/28/68/18/1196286818.db2.gz ZDERHQQACRFXIW-QGZVFWFLSA-N -1 3 383.445 0.888 20 30 GCEDHM CC(C)C[C@@H]([N-]S(=O)(=O)N(C)C[C@@H](C)C#N)c1nc(-c2nc[nH]n2)no1 ZINC000281789528 1196334377 /nfs/dbraw/zinc/33/43/77/1196334377.db2.gz OFVKBAZZZZDMDZ-WDEREUQCSA-N -1 3 382.450 0.868 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](CO)[C@H]2CCOC2)ccc1F ZINC000281808498 1196334888 /nfs/dbraw/zinc/33/48/88/1196334888.db2.gz NHPTWIQGXFBDPU-KBPBESRZSA-N -1 3 386.445 0.665 20 30 GCEDHM C[C@H](CC(=O)N1CCC(=O)N2CCC[C@@H]21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000888171966 1197307998 /nfs/dbraw/zinc/30/79/98/1197307998.db2.gz BQLGGLKOJMQVAC-DOMZBBRYSA-N -1 3 390.465 0.685 20 30 GCEDHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000765838663 1198997878 /nfs/dbraw/zinc/99/78/78/1198997878.db2.gz SNAQEJQNUZWYLX-SCRDCRAPSA-N -1 3 392.481 0.535 20 30 GCEDHM Cc1ncc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(=O)[n-]1 ZINC000543311959 1199650536 /nfs/dbraw/zinc/65/05/36/1199650536.db2.gz TYYVQRQJKJHVEA-JTQLQIEISA-N -1 3 375.410 0.346 20 30 GCEDHM Cc1ncc(CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c(=O)[n-]1 ZINC000544150492 1201036793 /nfs/dbraw/zinc/03/67/93/1201036793.db2.gz WJPVQDPMCTYWQM-UHFFFAOYSA-N -1 3 395.354 0.942 20 30 GCEDHM Cc1cc(C=NNc2nc3[nH][n-]cc-3c(=O)n2)c(C)n1CCN1CCOCC1 ZINC000731154239 1201474136 /nfs/dbraw/zinc/47/41/36/1201474136.db2.gz BCVKJBMSGIDGNH-UHFFFAOYSA-N -1 3 384.444 0.629 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC(=O)NCC#N ZINC000731233509 1201476857 /nfs/dbraw/zinc/47/68/57/1201476857.db2.gz JMGBUTUCCYQJHK-ZDUSSCGKSA-N -1 3 392.437 0.323 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCC[C@H](N2CCCC2=O)C1 ZINC000732150834 1201525449 /nfs/dbraw/zinc/52/54/49/1201525449.db2.gz FPWYQFSQLPAVFW-ZDUSSCGKSA-N -1 3 390.465 0.339 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NC[C@H](CO)Cc1ccccc1 ZINC000736194437 1201711679 /nfs/dbraw/zinc/71/16/79/1201711679.db2.gz CPZIPPJQWQVQID-OAHLLOKOSA-N -1 3 387.461 0.693 20 30 GCEDHM COc1cc(CNC(=O)Cn2ccc(C=N[O-])nc2=O)cc(OC)c1OC ZINC000736307113 1201712989 /nfs/dbraw/zinc/71/29/89/1201712989.db2.gz OTJZGRUERJOUDD-UHFFFAOYSA-N -1 3 376.369 0.394 20 30 GCEDHM CCOC(=O)C1(CNC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CCC1 ZINC000740796866 1201750363 /nfs/dbraw/zinc/75/03/63/1201750363.db2.gz XKKLJMMKRFSHCP-UHFFFAOYSA-N -1 3 379.438 0.575 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000741142451 1201759714 /nfs/dbraw/zinc/75/97/14/1201759714.db2.gz APHPDPJQEZECER-AREMUKBSSA-N -1 3 378.498 0.731 20 30 GCEDHM C[C@H](CC(=O)NCCCN1CCOCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742465902 1201797892 /nfs/dbraw/zinc/79/78/92/1201797892.db2.gz MIUHBJAWIVXGFE-CQSZACIVSA-N -1 3 394.497 0.342 20 30 GCEDHM CC(=O)NC[C@@H]1CCCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000742494088 1201798425 /nfs/dbraw/zinc/79/84/25/1201798425.db2.gz JGGAPMJYCYJSLA-ZDUSSCGKSA-N -1 3 378.454 0.100 20 30 GCEDHM CNC(=O)C1CCN(C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000742503016 1201798434 /nfs/dbraw/zinc/79/84/34/1201798434.db2.gz RPWRRJYLIWSZBO-GFCCVEGCSA-N -1 3 392.481 0.488 20 30 GCEDHM COCCOCCCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742490321 1201798792 /nfs/dbraw/zinc/79/87/92/1201798792.db2.gz JZICHGVOFIVMSX-CYBMUJFWSA-N -1 3 383.470 0.673 20 30 GCEDHM C[C@H](CC(=O)N(C)[C@H]1CCS(=O)(=O)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742490993 1201798806 /nfs/dbraw/zinc/79/88/06/1201798806.db2.gz NAMMNPJGRWABHS-NEPJUHHUSA-N -1 3 399.494 0.149 20 30 GCEDHM C[C@H](CC(=O)N(C)Cc1cnn(C)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742531888 1201799517 /nfs/dbraw/zinc/79/95/17/1201799517.db2.gz DXVCZSRPWYRPIQ-GFCCVEGCSA-N -1 3 375.454 0.896 20 30 GCEDHM C[C@H](CC(=O)N[C@H](C)Cn1cccn1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742535893 1201799706 /nfs/dbraw/zinc/79/97/06/1201799706.db2.gz CNVWAKQBEJHXSB-CHWSQXEVSA-N -1 3 375.454 0.905 20 30 GCEDHM C[C@H](CC(=O)NCCNc1ncccn1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742580043 1201801477 /nfs/dbraw/zinc/80/14/77/1201801477.db2.gz GBEPZPSKMDNONQ-GFCCVEGCSA-N -1 3 388.453 0.522 20 30 GCEDHM C[C@H](CC(=O)NCC(=O)NC1CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742595432 1201802138 /nfs/dbraw/zinc/80/21/38/1201802138.db2.gz LOOLRTAEUZAXHF-GFCCVEGCSA-N -1 3 392.481 0.679 20 30 GCEDHM C[C@@H](CC(=O)N1CCCN(C(N)=O)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742617569 1201802798 /nfs/dbraw/zinc/80/27/98/1201802798.db2.gz MFEXCARWAJLJDB-LBPRGKRZSA-N -1 3 393.469 0.117 20 30 GCEDHM CNC(=O)C1(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CCCC1 ZINC000742614537 1201803046 /nfs/dbraw/zinc/80/30/46/1201803046.db2.gz VXLMQJSBNCCGDX-LBPRGKRZSA-N -1 3 392.481 0.679 20 30 GCEDHM C[C@H](CC(=O)NCCCc1cnn(C)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742620329 1201803095 /nfs/dbraw/zinc/80/30/95/1201803095.db2.gz YKACADZINUXFQF-CYBMUJFWSA-N -1 3 389.481 0.986 20 30 GCEDHM C[C@H](CC(=O)N[C@@H]1CCCS(=O)(=O)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742662335 1201804472 /nfs/dbraw/zinc/80/44/72/1201804472.db2.gz IJSUVPNUKAPCTG-VXGBXAGGSA-N -1 3 399.494 0.197 20 30 GCEDHM CCn1cnnc1CCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742652807 1201805297 /nfs/dbraw/zinc/80/52/97/1201805297.db2.gz JSANFISBBKJFKJ-LBPRGKRZSA-N -1 3 390.469 0.474 20 30 GCEDHM COC(=O)[C@@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccccn1 ZINC000742792032 1201807546 /nfs/dbraw/zinc/80/75/46/1201807546.db2.gz QNNIPOLPZRZXBK-HNNXBMFYSA-N -1 3 388.405 0.151 20 30 GCEDHM C[C@@H](CC(=O)OCCn1ccccc1=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744078068 1201834343 /nfs/dbraw/zinc/83/43/43/1201834343.db2.gz QFAMDNZZJSVZCG-ZDUSSCGKSA-N -1 3 389.433 0.909 20 30 GCEDHM C[C@@H](CC(=O)O[C@H]1C(=O)OCC1(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744101887 1201835606 /nfs/dbraw/zinc/83/56/06/1201835606.db2.gz YZRJLVNONXZBDE-HZMBPMFUSA-N -1 3 380.422 0.999 20 30 GCEDHM CCOC(=O)[C@H](COC)OC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000766320031 1201845545 /nfs/dbraw/zinc/84/55/45/1201845545.db2.gz ODZAYHRLVRZRRB-YPMHNXCESA-N -1 3 398.437 0.625 20 30 GCEDHM CC#CCOC(=O)[C@@H](CCS(C)(=O)=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000744543032 1201846736 /nfs/dbraw/zinc/84/67/36/1201846736.db2.gz QNZQBEXHVYPCSJ-HFQYIWAZSA-N -1 3 399.490 0.947 20 30 GCEDHM C[C@H](CC(=O)N1CCN(CC#N)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744553453 1201846872 /nfs/dbraw/zinc/84/68/72/1201846872.db2.gz LTAQWRVDUAZZAU-CYBMUJFWSA-N -1 3 375.454 0.171 20 30 GCEDHM C#CCNC(=O)[C@H](C)OC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745497112 1201879812 /nfs/dbraw/zinc/87/98/12/1201879812.db2.gz RMGUICWXGJHOKM-NEPJUHHUSA-N -1 3 377.422 0.185 20 30 GCEDHM CCOC(=O)c1ncc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)s1 ZINC000766517970 1201927918 /nfs/dbraw/zinc/92/79/18/1201927918.db2.gz LDSPEXPIRHIAEW-UHFFFAOYSA-N -1 3 394.434 0.997 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@@H]1CCCNC1=O ZINC000767240445 1201968508 /nfs/dbraw/zinc/96/85/08/1201968508.db2.gz OCXSHKBBSAFFGV-UONOGXRCSA-N -1 3 393.465 0.962 20 30 GCEDHM CC(C)(C)OC(=O)N1CC(OC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000768392034 1202015075 /nfs/dbraw/zinc/01/50/75/1202015075.db2.gz UWSIVACNAOITEZ-UHFFFAOYSA-N -1 3 395.437 0.888 20 30 GCEDHM Cc1ccc(-c2noc(C/N=C3/[N-]S(=O)(=O)c4ccccc43)n2)c(=O)n1C ZINC000771265927 1202132394 /nfs/dbraw/zinc/13/23/94/1202132394.db2.gz UWJPRZUUYADIJN-UHFFFAOYSA-N -1 3 385.405 0.982 20 30 GCEDHM COC(=O)C1(CNC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CCCC1 ZINC000752342311 1202141701 /nfs/dbraw/zinc/14/17/01/1202141701.db2.gz YTVQROKSGHWAIL-UHFFFAOYSA-N -1 3 379.438 0.575 20 30 GCEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCc1nnn(C)n1 ZINC000787853661 1205404843 /nfs/dbraw/zinc/40/48/43/1205404843.db2.gz HMEYVVLTUPOYIW-LBPRGKRZSA-N -1 3 391.457 0.124 20 30 GCEDHM C[C@H](CC(=O)NC[C@]1(O)CCO[C@@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000790256215 1205459977 /nfs/dbraw/zinc/45/99/77/1205459977.db2.gz YRTFFKWYZHSGEI-PSTGCABASA-N -1 3 381.454 0.160 20 30 GCEDHM CO[C@@H]1CN(C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C[C@@H]1OC ZINC000792673731 1205492234 /nfs/dbraw/zinc/49/22/34/1205492234.db2.gz ZPYUEGIWUOEFFE-FPMFFAJLSA-N -1 3 381.454 0.376 20 30 GCEDHM C[C@H](CC(=O)O[C@@H]1CC(=O)N(C)[C@@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000806083463 1205549709 /nfs/dbraw/zinc/54/97/09/1205549709.db2.gz ZUPWYOLINFTWLH-NQBHXWOUSA-N -1 3 379.438 0.666 20 30 GCEDHM CC(C)[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000811186238 1205648831 /nfs/dbraw/zinc/64/88/31/1205648831.db2.gz HTWAKXQJIWDGMZ-UKRRQHHQSA-N -1 3 380.422 0.749 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)ccc1F ZINC001132772049 1205651430 /nfs/dbraw/zinc/65/14/30/1205651430.db2.gz VHYUZUMZUQAYLE-HAQNSBGRSA-N -1 3 390.458 0.595 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2nnnn2CCOC)ccc1F ZINC001133762344 1205675834 /nfs/dbraw/zinc/67/58/34/1205675834.db2.gz FHXICQQOKMHQCR-UHFFFAOYSA-N -1 3 384.393 0.175 20 30 GCEDHM C=C[C@@H]1C[C@]1(Nc1ccc2c(c1)COC21CNC1)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001170745415 1205690946 /nfs/dbraw/zinc/69/09/46/1205690946.db2.gz JYQVOCJGMXSMJX-BFUOFWGJSA-N -1 3 389.477 0.980 20 30 GCEDHM COC(=O)C[C@@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C(C)(C)C ZINC001134343671 1205691119 /nfs/dbraw/zinc/69/11/19/1205691119.db2.gz MSICPJCMENQDPJ-CYBMUJFWSA-N -1 3 381.454 0.819 20 30 GCEDHM C[C@H](CC(=O)NC[C@H](O)c1c[nH]cn1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001177837316 1205777802 /nfs/dbraw/zinc/77/78/02/1205777802.db2.gz JZQVRKIKGCJFCM-MFKMUULPSA-N -1 3 377.426 0.077 20 30 GCEDHM O=C(CN=C1[N-]S(=O)(=O)c2ccccc21)N1CCC([C@@H]2COC(=O)N2)CC1 ZINC001179558527 1205812150 /nfs/dbraw/zinc/81/21/50/1205812150.db2.gz UXBCMXQNAYMMNQ-ZDUSSCGKSA-N -1 3 392.437 0.072 20 30 GCEDHM COc1cc(N(C([O-])=C(C)C#N)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001179895610 1205815495 /nfs/dbraw/zinc/81/54/95/1205815495.db2.gz SDUZWTSTZHKLNH-JTQLQIEISA-N -1 3 391.409 0.958 20 30 GCEDHM CC(=O)NC(C(O)=C([O-])NC(=NC#N)c1ccncc1)=C(O)c1ccccc1 ZINC001184421428 1205910255 /nfs/dbraw/zinc/91/02/55/1205910255.db2.gz JZGXLMOCJDHEQH-WBVHZDCISA-N -1 3 379.376 0.174 20 30 GCEDHM CC(=O)N[C@H](C(=O)c1ccccc1)C(O)=C([O-])NC(=NC#N)c1ccncc1 ZINC001184421428 1205910256 /nfs/dbraw/zinc/91/02/56/1205910256.db2.gz JZGXLMOCJDHEQH-WBVHZDCISA-N -1 3 379.376 0.174 20 30 GCEDHM C=CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185598226 1205925287 /nfs/dbraw/zinc/92/52/87/1205925287.db2.gz YMTJIIIEKUZSFL-ZDUSSCGKSA-N -1 3 392.441 0.932 20 30 GCEDHM C=CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185598226 1205925289 /nfs/dbraw/zinc/92/52/89/1205925289.db2.gz YMTJIIIEKUZSFL-ZDUSSCGKSA-N -1 3 392.441 0.932 20 30 GCEDHM COc1cc(S(N)(=O)=O)cc(C(=O)N([O-])C(=N)c2ccccc2N)c1OC ZINC001189567407 1206011240 /nfs/dbraw/zinc/01/12/40/1206011240.db2.gz FSOXQPAMGVNORJ-UHFFFAOYSA-N -1 3 394.409 0.790 20 30 GCEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCCN2CCS(=O)(=O)CC2)c1 ZINC001190672185 1206040775 /nfs/dbraw/zinc/04/07/75/1206040775.db2.gz ZUESXKYZDBRJDT-UHFFFAOYSA-N -1 3 375.447 0.096 20 30 GCEDHM C#CC[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000819689311 945272039 /nfs/dbraw/zinc/27/20/39/945272039.db2.gz ZBEJJDPMIXOTJR-XHDPSFHLSA-N -1 3 389.437 0.879 20 30 GCEDHM C#CC[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000819689311 945272045 /nfs/dbraw/zinc/27/20/45/945272045.db2.gz ZBEJJDPMIXOTJR-XHDPSFHLSA-N -1 3 389.437 0.879 20 30 GCEDHM C=CCNC(=O)c1ccc(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nc1 ZINC000735432660 944650840 /nfs/dbraw/zinc/65/08/40/944650840.db2.gz SHQYMFXBOSBRFN-UHFFFAOYSA-N -1 3 391.439 0.899 20 30 GCEDHM C=CCNC(=O)c1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nc1 ZINC000735432660 944650845 /nfs/dbraw/zinc/65/08/45/944650845.db2.gz SHQYMFXBOSBRFN-UHFFFAOYSA-N -1 3 391.439 0.899 20 30 GCEDHM C[C@@H](CC#N)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820438744 945449410 /nfs/dbraw/zinc/44/94/10/945449410.db2.gz WACKCQRSSZINFB-QWRGUYRKSA-N -1 3 377.430 0.294 20 30 GCEDHM C[C@@H](CC#N)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820438744 945449414 /nfs/dbraw/zinc/44/94/14/945449414.db2.gz WACKCQRSSZINFB-QWRGUYRKSA-N -1 3 377.430 0.294 20 30 GCEDHM N#Cc1cncc(N2CC[C@]3(NC(=O)c4c[nH]c(-c5nnn[n-]5)c4)CCC[C@@H]23)n1 ZINC001571295693 946171856 /nfs/dbraw/zinc/17/18/56/946171856.db2.gz CICBMOUIJMWZFN-RDTXWAMCSA-N -1 3 390.411 0.788 20 30 GCEDHM N#Cc1cncc(N2CC[C@]3(NC(=O)c4c[nH]c(-c5nn[n-]n5)c4)CCC[C@@H]23)n1 ZINC001571295693 946171862 /nfs/dbraw/zinc/17/18/62/946171862.db2.gz CICBMOUIJMWZFN-RDTXWAMCSA-N -1 3 390.411 0.788 20 30 GCEDHM N#Cc1cncc(N2CC[C@@]3(NC(=O)c4c[nH]c(-c5nnn[n-]5)c4)CCC[C@H]23)n1 ZINC001571295692 946172542 /nfs/dbraw/zinc/17/25/42/946172542.db2.gz CICBMOUIJMWZFN-KSSFIOAISA-N -1 3 390.411 0.788 20 30 GCEDHM N#Cc1cncc(N2CC[C@@]3(NC(=O)c4c[nH]c(-c5nn[n-]n5)c4)CCC[C@H]23)n1 ZINC001571295692 946172548 /nfs/dbraw/zinc/17/25/48/946172548.db2.gz CICBMOUIJMWZFN-KSSFIOAISA-N -1 3 390.411 0.788 20 30 GCEDHM N#Cc1nccc(N2CC[C@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)CC[C@@H]32)n1 ZINC001571295970 946179624 /nfs/dbraw/zinc/17/96/24/946179624.db2.gz KYGQHEZZJYITQG-FZMZJTMJSA-N -1 3 390.411 0.597 20 30 GCEDHM N#Cc1nccc(N2CC[C@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)CC[C@@H]32)n1 ZINC001571295970 946179631 /nfs/dbraw/zinc/17/96/31/946179631.db2.gz KYGQHEZZJYITQG-FZMZJTMJSA-N -1 3 390.411 0.597 20 30 GCEDHM N#Cc1nccc(N2CC[C@@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)CC[C@@H]32)n1 ZINC001571295971 946180416 /nfs/dbraw/zinc/18/04/16/946180416.db2.gz KYGQHEZZJYITQG-RISCZKNCSA-N -1 3 390.411 0.597 20 30 GCEDHM N#Cc1nccc(N2CC[C@@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)CC[C@@H]32)n1 ZINC001571295971 946180424 /nfs/dbraw/zinc/18/04/24/946180424.db2.gz KYGQHEZZJYITQG-RISCZKNCSA-N -1 3 390.411 0.597 20 30 GCEDHM N#Cc1cnc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001571296382 946193325 /nfs/dbraw/zinc/19/33/25/946193325.db2.gz WMBCDMHQIADYAB-OLZOCXBDSA-N -1 3 390.411 0.740 20 30 GCEDHM N#Cc1cnc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001571296382 946193334 /nfs/dbraw/zinc/19/33/34/946193334.db2.gz WMBCDMHQIADYAB-OLZOCXBDSA-N -1 3 390.411 0.740 20 30 GCEDHM CCc1nc(C#N)cc(N(C)[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571312561 946495954 /nfs/dbraw/zinc/49/59/54/946495954.db2.gz HLPLCCWJBFKMMX-ZDUSSCGKSA-N -1 3 392.427 0.770 20 30 GCEDHM CCc1nc(C#N)cc(N(C)[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571312561 946495963 /nfs/dbraw/zinc/49/59/63/946495963.db2.gz HLPLCCWJBFKMMX-ZDUSSCGKSA-N -1 3 392.427 0.770 20 30 GCEDHM CCc1nc(C#N)cc(N(C)[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571312560 946496412 /nfs/dbraw/zinc/49/64/12/946496412.db2.gz HLPLCCWJBFKMMX-CYBMUJFWSA-N -1 3 392.427 0.770 20 30 GCEDHM CCc1nc(C#N)cc(N(C)[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571312560 946496420 /nfs/dbraw/zinc/49/64/20/946496420.db2.gz HLPLCCWJBFKMMX-CYBMUJFWSA-N -1 3 392.427 0.770 20 30 GCEDHM CN(C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1nccnc1C#N ZINC001571313984 946538067 /nfs/dbraw/zinc/53/80/67/946538067.db2.gz YNMXISJMJSCTJC-LBPRGKRZSA-N -1 3 392.427 0.845 20 30 GCEDHM CN(C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1nccnc1C#N ZINC001571313984 946538079 /nfs/dbraw/zinc/53/80/79/946538079.db2.gz YNMXISJMJSCTJC-LBPRGKRZSA-N -1 3 392.427 0.845 20 30 GCEDHM C[C@@H](C#N)CNC(=O)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824035149 946564419 /nfs/dbraw/zinc/56/44/19/946564419.db2.gz SNAKBJIHFGKDBZ-VIFPVBQESA-N -1 3 399.802 0.920 20 30 GCEDHM CC(C)(C#N)CCOC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824058920 946572470 /nfs/dbraw/zinc/57/24/70/946572470.db2.gz JDLSSPXJYWHROR-UHFFFAOYSA-N -1 3 378.414 0.628 20 30 GCEDHM CC(C)(C#N)CCOC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824058920 946572480 /nfs/dbraw/zinc/57/24/80/946572480.db2.gz JDLSSPXJYWHROR-UHFFFAOYSA-N -1 3 378.414 0.628 20 30 GCEDHM C#CCCCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573282003 946684730 /nfs/dbraw/zinc/68/47/30/946684730.db2.gz DOJUTVKYDPQOHV-HUUCEWRRSA-N -1 3 385.428 0.080 20 30 GCEDHM C#CCCCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573282003 946684733 /nfs/dbraw/zinc/68/47/33/946684733.db2.gz DOJUTVKYDPQOHV-HUUCEWRRSA-N -1 3 385.428 0.080 20 30 GCEDHM C#CCN(C(=O)Cn1ccnc1)C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573283591 946719025 /nfs/dbraw/zinc/71/90/25/946719025.db2.gz UEGIWOXDXQFFJX-UHFFFAOYSA-N -1 3 391.439 0.589 20 30 GCEDHM C#CCN(C(=O)Cn1ccnc1)C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573283591 946719035 /nfs/dbraw/zinc/71/90/35/946719035.db2.gz UEGIWOXDXQFFJX-UHFFFAOYSA-N -1 3 391.439 0.589 20 30 GCEDHM C#CCC1(C(=O)NCCCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOCC1 ZINC001573284693 946755475 /nfs/dbraw/zinc/75/54/75/946755475.db2.gz JHWBCNBYEMNHEI-UHFFFAOYSA-N -1 3 385.428 0.251 20 30 GCEDHM C#CCC1(C(=O)NCCCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOCC1 ZINC001573284693 946755483 /nfs/dbraw/zinc/75/54/83/946755483.db2.gz JHWBCNBYEMNHEI-UHFFFAOYSA-N -1 3 385.428 0.251 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573284901 946759627 /nfs/dbraw/zinc/75/96/27/946759627.db2.gz ALDOXSSSAOIKDX-CYBMUJFWSA-N -1 3 385.428 0.065 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573284901 946759632 /nfs/dbraw/zinc/75/96/32/946759632.db2.gz ALDOXSSSAOIKDX-CYBMUJFWSA-N -1 3 385.428 0.065 20 30 GCEDHM C#CCCCC(=O)NC1(CO)CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573285305 946772819 /nfs/dbraw/zinc/77/28/19/946772819.db2.gz VRUPPWAXBZIABH-UHFFFAOYSA-N -1 3 383.456 0.821 20 30 GCEDHM C#CCCCC(=O)NC1(CO)CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573285305 946772827 /nfs/dbraw/zinc/77/28/27/946772827.db2.gz VRUPPWAXBZIABH-UHFFFAOYSA-N -1 3 383.456 0.821 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1C[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)[C@H](C)C1 ZINC001573285400 946777341 /nfs/dbraw/zinc/77/73/41/946777341.db2.gz HEUMTWQIXVNIHO-YRGRVCCFSA-N -1 3 387.419 0.946 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1C[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)[C@H](C)C1 ZINC001573285400 946777350 /nfs/dbraw/zinc/77/73/50/946777350.db2.gz HEUMTWQIXVNIHO-YRGRVCCFSA-N -1 3 387.419 0.946 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573285553 946783691 /nfs/dbraw/zinc/78/36/91/946783691.db2.gz IRZOWONRPMJPQG-LIRRHRJNSA-N -1 3 381.440 0.729 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573285553 946783697 /nfs/dbraw/zinc/78/36/97/946783697.db2.gz IRZOWONRPMJPQG-LIRRHRJNSA-N -1 3 381.440 0.729 20 30 GCEDHM C#CCO[C@H](C)C(=O)N[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)C ZINC001573285709 946785475 /nfs/dbraw/zinc/78/54/75/946785475.db2.gz LNIIFMIMGOXOHD-TZMCWYRMSA-N -1 3 387.444 0.494 20 30 GCEDHM C#CCO[C@H](C)C(=O)N[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)C ZINC001573285709 946785481 /nfs/dbraw/zinc/78/54/81/946785481.db2.gz LNIIFMIMGOXOHD-TZMCWYRMSA-N -1 3 387.444 0.494 20 30 GCEDHM C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573285677 946785676 /nfs/dbraw/zinc/78/56/76/946785676.db2.gz KXYUILODUFCHSX-TZMCWYRMSA-N -1 3 385.428 0.296 20 30 GCEDHM C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573285677 946785681 /nfs/dbraw/zinc/78/56/81/946785681.db2.gz KXYUILODUFCHSX-TZMCWYRMSA-N -1 3 385.428 0.296 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1CCC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573285797 946787024 /nfs/dbraw/zinc/78/70/24/946787024.db2.gz NWWNBAXAQHMSQG-LBPRGKRZSA-N -1 3 385.428 0.296 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1CCC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573285797 946787030 /nfs/dbraw/zinc/78/70/30/946787030.db2.gz NWWNBAXAQHMSQG-LBPRGKRZSA-N -1 3 385.428 0.296 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001573285814 946790362 /nfs/dbraw/zinc/79/03/62/946790362.db2.gz OBXULLKKONCWLT-JKIFEVAISA-N -1 3 381.440 0.727 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001573285814 946790366 /nfs/dbraw/zinc/79/03/66/946790366.db2.gz OBXULLKKONCWLT-JKIFEVAISA-N -1 3 381.440 0.727 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573286056 946794817 /nfs/dbraw/zinc/79/48/17/946794817.db2.gz SMHKOILWKOXCQM-WBVHZDCISA-N -1 3 380.456 0.396 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573286056 946794827 /nfs/dbraw/zinc/79/48/27/946794827.db2.gz SMHKOILWKOXCQM-WBVHZDCISA-N -1 3 380.456 0.396 20 30 GCEDHM C#CCOCCC(=O)N1CCCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573286392 946805168 /nfs/dbraw/zinc/80/51/68/946805168.db2.gz AJOBJFADMYUSJJ-CYBMUJFWSA-N -1 3 385.428 0.346 20 30 GCEDHM C#CCOCCC(=O)N1CCCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573286392 946805175 /nfs/dbraw/zinc/80/51/75/946805175.db2.gz AJOBJFADMYUSJJ-CYBMUJFWSA-N -1 3 385.428 0.346 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)ccc1-c1nnn[n-]1 ZINC001573286518 946810155 /nfs/dbraw/zinc/81/01/55/946810155.db2.gz CYFCWSZDNOPACN-XRGAULLZSA-N -1 3 381.440 0.834 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)ccc1-c1nn[n-]n1 ZINC001573286518 946810170 /nfs/dbraw/zinc/81/01/70/946810170.db2.gz CYFCWSZDNOPACN-XRGAULLZSA-N -1 3 381.440 0.834 20 30 GCEDHM C#CCO[C@H](C)C(=O)NC[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573286604 946815179 /nfs/dbraw/zinc/81/51/79/946815179.db2.gz FZYBKLOBWBNPFL-VXGBXAGGSA-N -1 3 375.458 0.612 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cc1 ZINC001573286869 946819675 /nfs/dbraw/zinc/81/96/75/946819675.db2.gz BUPJXAXQNIFGMV-OAHLLOKOSA-N -1 3 375.392 0.821 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cc1 ZINC001573286869 946819683 /nfs/dbraw/zinc/81/96/83/946819683.db2.gz BUPJXAXQNIFGMV-OAHLLOKOSA-N -1 3 375.392 0.821 20 30 GCEDHM C#CCO[C@H](C)C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573287620 946843421 /nfs/dbraw/zinc/84/34/21/946843421.db2.gz OERGOVXLXZRLMR-PWSUYJOCSA-N -1 3 375.820 0.648 20 30 GCEDHM C#CCO[C@H](C)C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573287620 946843435 /nfs/dbraw/zinc/84/34/35/946843435.db2.gz OERGOVXLXZRLMR-PWSUYJOCSA-N -1 3 375.820 0.648 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573287650 946844275 /nfs/dbraw/zinc/84/42/75/946844275.db2.gz OYGLUSUQCVRZNG-SFHVURJKSA-N -1 3 385.428 0.067 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573287650 946844288 /nfs/dbraw/zinc/84/42/88/946844288.db2.gz OYGLUSUQCVRZNG-SFHVURJKSA-N -1 3 385.428 0.067 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573287649 946844495 /nfs/dbraw/zinc/84/44/95/946844495.db2.gz OYGLUSUQCVRZNG-GOSISDBHSA-N -1 3 385.428 0.067 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573287649 946844501 /nfs/dbraw/zinc/84/45/01/946844501.db2.gz OYGLUSUQCVRZNG-GOSISDBHSA-N -1 3 385.428 0.067 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)cn1 ZINC001573287783 946846749 /nfs/dbraw/zinc/84/67/49/946846749.db2.gz FMYRQISAAVXVLB-IAQYHMDHSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)cn1 ZINC001573287783 946846758 /nfs/dbraw/zinc/84/67/58/946846758.db2.gz FMYRQISAAVXVLB-IAQYHMDHSA-N -1 3 390.407 0.604 20 30 GCEDHM C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1(C)C ZINC001573288713 946877457 /nfs/dbraw/zinc/87/74/57/946877457.db2.gz YBXCWQHEAWPJNS-BXUZGUMPSA-N -1 3 385.428 0.200 20 30 GCEDHM C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1(C)C ZINC001573288713 946877470 /nfs/dbraw/zinc/87/74/70/946877470.db2.gz YBXCWQHEAWPJNS-BXUZGUMPSA-N -1 3 385.428 0.200 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1(C#N)CC1 ZINC000824633338 946877830 /nfs/dbraw/zinc/87/78/30/946877830.db2.gz LDQQKHDQAWQRMX-JTQLQIEISA-N -1 3 376.398 0.380 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1(C#N)CC1 ZINC000824633338 946877843 /nfs/dbraw/zinc/87/78/43/946877843.db2.gz LDQQKHDQAWQRMX-JTQLQIEISA-N -1 3 376.398 0.380 20 30 GCEDHM C#Cc1ccc(C(=O)NCC[C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc1 ZINC001573288915 946880278 /nfs/dbraw/zinc/88/02/78/946880278.db2.gz VIQYYXZONHDMFS-LLVKDONJSA-N -1 3 378.396 0.510 20 30 GCEDHM C#Cc1ccc(C(=O)NCC[C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc1 ZINC001573288915 946880291 /nfs/dbraw/zinc/88/02/91/946880291.db2.gz VIQYYXZONHDMFS-LLVKDONJSA-N -1 3 378.396 0.510 20 30 GCEDHM C#CCOCCC(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573289006 946883008 /nfs/dbraw/zinc/88/30/08/946883008.db2.gz ZSWYQYOVQNQIEL-LBPRGKRZSA-N -1 3 375.820 0.650 20 30 GCEDHM C#CCOCCC(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573289006 946883019 /nfs/dbraw/zinc/88/30/19/946883019.db2.gz ZSWYQYOVQNQIEL-LBPRGKRZSA-N -1 3 375.820 0.650 20 30 GCEDHM C#CCOCCC(=O)NC[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001573290052 946899530 /nfs/dbraw/zinc/89/95/30/946899530.db2.gz TYXONUORGIUCOS-CYBMUJFWSA-N -1 3 388.403 0.367 20 30 GCEDHM C#CCOCCC(=O)NC[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001573290052 946899542 /nfs/dbraw/zinc/89/95/42/946899542.db2.gz TYXONUORGIUCOS-CYBMUJFWSA-N -1 3 388.403 0.367 20 30 GCEDHM C#Cc1cncc(C(=O)N(C)CCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001573290244 946900372 /nfs/dbraw/zinc/90/03/72/946900372.db2.gz IAJCBOPODZSMHI-UHFFFAOYSA-N -1 3 378.396 0.415 20 30 GCEDHM C#Cc1cncc(C(=O)N(C)CCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001573290244 946900382 /nfs/dbraw/zinc/90/03/82/946900382.db2.gz IAJCBOPODZSMHI-UHFFFAOYSA-N -1 3 378.396 0.415 20 30 GCEDHM C#Cc1cncc(C(=O)N(C)CCCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001573290593 946908045 /nfs/dbraw/zinc/90/80/45/946908045.db2.gz MBSVARRFOQEZFP-UHFFFAOYSA-N -1 3 378.396 0.463 20 30 GCEDHM C#Cc1cncc(C(=O)N(C)CCCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001573290593 946908049 /nfs/dbraw/zinc/90/80/49/946908049.db2.gz MBSVARRFOQEZFP-UHFFFAOYSA-N -1 3 378.396 0.463 20 30 GCEDHM C#CCOCCC(=O)N[C@]12CCC[C@H]1CN(c1ncc(-c3nnn[n-]3)cc1F)C2 ZINC001573290567 946908682 /nfs/dbraw/zinc/90/86/82/946908682.db2.gz ZMPVKINFHFNSMK-LIRRHRJNSA-N -1 3 399.430 0.916 20 30 GCEDHM C#CCOCCC(=O)N[C@]12CCC[C@H]1CN(c1ncc(-c3nn[n-]n3)cc1F)C2 ZINC001573290567 946908689 /nfs/dbraw/zinc/90/86/89/946908689.db2.gz ZMPVKINFHFNSMK-LIRRHRJNSA-N -1 3 399.430 0.916 20 30 GCEDHM C#Cc1ccccc1CC(=O)N(C)C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573291409 946919136 /nfs/dbraw/zinc/91/91/36/946919136.db2.gz ZTIDZMARHMEITK-ZDUSSCGKSA-N -1 3 391.435 0.996 20 30 GCEDHM C#Cc1ccccc1CC(=O)N(C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573291409 946919142 /nfs/dbraw/zinc/91/91/42/946919142.db2.gz ZTIDZMARHMEITK-ZDUSSCGKSA-N -1 3 391.435 0.996 20 30 GCEDHM C#Cc1cncc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001573291818 946924647 /nfs/dbraw/zinc/92/46/47/946924647.db2.gz JSOPFOZYXBPWDN-ZDUSSCGKSA-N -1 3 390.407 0.463 20 30 GCEDHM C#Cc1cncc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001573291818 946924661 /nfs/dbraw/zinc/92/46/61/946924661.db2.gz JSOPFOZYXBPWDN-ZDUSSCGKSA-N -1 3 390.407 0.463 20 30 GCEDHM C#Cc1cncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001573292291 946931031 /nfs/dbraw/zinc/93/10/31/946931031.db2.gz SAYPFSUQGFEBQS-FOLVSLTJSA-N -1 3 388.391 0.072 20 30 GCEDHM C#Cc1cncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001573292291 946931036 /nfs/dbraw/zinc/93/10/36/946931036.db2.gz SAYPFSUQGFEBQS-FOLVSLTJSA-N -1 3 388.391 0.072 20 30 GCEDHM C=C(Br)CN1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](OC)C1 ZINC001573292665 946938029 /nfs/dbraw/zinc/93/80/29/946938029.db2.gz ZKHWQCWJNPFETI-VXGBXAGGSA-N -1 3 396.249 0.532 20 30 GCEDHM C=C(Br)CN1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](OC)C1 ZINC001573292665 946938033 /nfs/dbraw/zinc/93/80/33/946938033.db2.gz ZKHWQCWJNPFETI-VXGBXAGGSA-N -1 3 396.249 0.532 20 30 GCEDHM C=C(C)[C@@H](CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)OCC ZINC001573292848 946939890 /nfs/dbraw/zinc/93/98/90/946939890.db2.gz DZVODWMHOWEWJR-DZGCQCFKSA-N -1 3 387.444 0.897 20 30 GCEDHM C=C(C)[C@@H](CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)OCC ZINC001573292848 946939899 /nfs/dbraw/zinc/93/98/99/946939899.db2.gz DZVODWMHOWEWJR-DZGCQCFKSA-N -1 3 387.444 0.897 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573564484 946995378 /nfs/dbraw/zinc/99/53/78/946995378.db2.gz JDQJBVDNSRQEIH-XIKOKIGWSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@H](N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001573564761 946997701 /nfs/dbraw/zinc/99/77/01/946997701.db2.gz KHNPHVDJZQXDQD-ZFWWWQNUSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@H](N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001573564761 946997711 /nfs/dbraw/zinc/99/77/11/946997711.db2.gz KHNPHVDJZQXDQD-ZFWWWQNUSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(c1ccc(-c3nnn[n-]3)nc1)CCO2 ZINC001573565112 947002166 /nfs/dbraw/zinc/00/21/66/947002166.db2.gz NBYVLVQACITUKF-ZDUSSCGKSA-N -1 3 382.428 0.619 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(c1ccc(-c3nn[n-]n3)nc1)CCO2 ZINC001573565112 947002176 /nfs/dbraw/zinc/00/21/76/947002176.db2.gz NBYVLVQACITUKF-ZDUSSCGKSA-N -1 3 382.428 0.619 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](CC)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573295138 947007748 /nfs/dbraw/zinc/00/77/48/947007748.db2.gz NTXPZLXLOQQEIT-YDHLFZDLSA-N -1 3 387.444 0.801 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](CC)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573295138 947007761 /nfs/dbraw/zinc/00/77/61/947007761.db2.gz NTXPZLXLOQQEIT-YDHLFZDLSA-N -1 3 387.444 0.801 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573565694 947013694 /nfs/dbraw/zinc/01/36/94/947013694.db2.gz UNGXSVYQPVHKHZ-SGTLLEGYSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001573565840 947017023 /nfs/dbraw/zinc/01/70/23/947017023.db2.gz WOXFBZQFGOHWNH-XIKOKIGWSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001573565840 947017034 /nfs/dbraw/zinc/01/70/34/947017034.db2.gz WOXFBZQFGOHWNH-XIKOKIGWSA-N -1 3 382.428 0.809 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573295822 947028595 /nfs/dbraw/zinc/02/85/95/947028595.db2.gz URWCLGXAHXCUND-JMGFVUJMSA-N -1 3 399.455 0.753 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573295822 947028604 /nfs/dbraw/zinc/02/86/04/947028604.db2.gz URWCLGXAHXCUND-JMGFVUJMSA-N -1 3 399.455 0.753 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573295942 947035974 /nfs/dbraw/zinc/03/59/74/947035974.db2.gz WCOONMVFRAOKSL-ZLDLUXBVSA-N -1 3 387.444 0.753 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573295942 947035989 /nfs/dbraw/zinc/03/59/89/947035989.db2.gz WCOONMVFRAOKSL-ZLDLUXBVSA-N -1 3 387.444 0.753 20 30 GCEDHM C=C(Cl)CNCc1cn(C2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001573296945 947056722 /nfs/dbraw/zinc/05/67/22/947056722.db2.gz CASRDSYZMLNKAL-UHFFFAOYSA-N -1 3 388.823 0.326 20 30 GCEDHM C=C(Cl)CNCc1cn(C2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001573296945 947056735 /nfs/dbraw/zinc/05/67/35/947056735.db2.gz CASRDSYZMLNKAL-UHFFFAOYSA-N -1 3 388.823 0.326 20 30 GCEDHM C=C(Cl)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N1CCNC(=O)C1 ZINC001573297426 947061807 /nfs/dbraw/zinc/06/18/07/947061807.db2.gz HENXHTODRYWWTP-UHFFFAOYSA-N -1 3 385.819 0.814 20 30 GCEDHM C=C(Cl)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCNC(=O)C1 ZINC001573297426 947061821 /nfs/dbraw/zinc/06/18/21/947061821.db2.gz HENXHTODRYWWTP-UHFFFAOYSA-N -1 3 385.819 0.814 20 30 GCEDHM C=C(C)[C@@H](CC(=O)N[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)OCC ZINC001573298041 947068640 /nfs/dbraw/zinc/06/86/40/947068640.db2.gz ADVJFHGSCIEKKH-SMDDNHRTSA-N -1 3 375.433 0.801 20 30 GCEDHM C=C(C)[C@@H](CC(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)OCC ZINC001573298041 947068646 /nfs/dbraw/zinc/06/86/46/947068646.db2.gz ADVJFHGSCIEKKH-SMDDNHRTSA-N -1 3 375.433 0.801 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573573419 947122224 /nfs/dbraw/zinc/12/22/24/947122224.db2.gz NFZVKLZXFUZMPG-KZULUSFZSA-N -1 3 387.419 0.609 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573573419 947122233 /nfs/dbraw/zinc/12/22/33/947122233.db2.gz NFZVKLZXFUZMPG-KZULUSFZSA-N -1 3 387.419 0.609 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573300884 947124716 /nfs/dbraw/zinc/12/47/16/947124716.db2.gz WFRYFCXZOFLFGX-WFASDCNBSA-N -1 3 386.460 0.897 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573300884 947124719 /nfs/dbraw/zinc/12/47/19/947124719.db2.gz WFRYFCXZOFLFGX-WFASDCNBSA-N -1 3 386.460 0.897 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@]1(C)CN(Cc2cc(F)ccc2-c2nn[n-]n2)CCO1 ZINC001573576212 947149309 /nfs/dbraw/zinc/14/93/09/947149309.db2.gz FESLZMDOAHJMMP-KPZWWZAWSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccccc1 ZINC001573577216 947164331 /nfs/dbraw/zinc/16/43/31/947164331.db2.gz NQTBVUQLWCEYQB-ABAIWWIYSA-N -1 3 378.396 0.942 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccccc1 ZINC001573577216 947164335 /nfs/dbraw/zinc/16/43/35/947164335.db2.gz NQTBVUQLWCEYQB-ABAIWWIYSA-N -1 3 378.396 0.942 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@H]1CCC2(CN(Cc3ccccc3-c3nn[n-]n3)C2)O1 ZINC001573577445 947168789 /nfs/dbraw/zinc/16/87/89/947168789.db2.gz POHQKSPYYCKXKJ-HIFRSBDPSA-N -1 3 381.440 0.876 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@]1(C)CN(Cc2ccc(-c3nnn[n-]3)cc2F)CCO1 ZINC001573577756 947171696 /nfs/dbraw/zinc/17/16/96/947171696.db2.gz SNIRLPMIZKOXFT-KPZWWZAWSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@]1(C)CN(Cc2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC001573577756 947171704 /nfs/dbraw/zinc/17/17/04/947171704.db2.gz SNIRLPMIZKOXFT-KPZWWZAWSA-N -1 3 387.419 0.873 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CCN(Cc2cc(-c3nn[n-]n3)ccc2OC)CC1 ZINC001573308982 947189291 /nfs/dbraw/zinc/18/92/91/947189291.db2.gz APLQKVLVLBKAGG-LJQANCHMSA-N -1 3 386.456 0.847 20 30 GCEDHM C[C@@H](C#N)C(=O)NCCN1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573583078 947197930 /nfs/dbraw/zinc/19/79/30/947197930.db2.gz IOJYHCXXEVYZFK-ZDUSSCGKSA-N -1 3 386.435 0.399 20 30 GCEDHM C[C@@H](C#N)C(=O)NCCN1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001573583078 947197941 /nfs/dbraw/zinc/19/79/41/947197941.db2.gz IOJYHCXXEVYZFK-ZDUSSCGKSA-N -1 3 386.435 0.399 20 30 GCEDHM C[C@H](C#N)C(=O)NCCc1ccc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC001573582991 947198384 /nfs/dbraw/zinc/19/83/84/947198384.db2.gz IBZLLRHALHMWBK-GFCCVEGCSA-N -1 3 392.423 0.943 20 30 GCEDHM C[C@H](C#N)C(=O)NCCc1ccc(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC001573582991 947198391 /nfs/dbraw/zinc/19/83/91/947198391.db2.gz IBZLLRHALHMWBK-GFCCVEGCSA-N -1 3 392.423 0.943 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573309484 947200849 /nfs/dbraw/zinc/20/08/49/947200849.db2.gz JIQCXINBIAOLNM-UGSOOPFHSA-N -1 3 387.444 0.585 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573309484 947200859 /nfs/dbraw/zinc/20/08/59/947200859.db2.gz JIQCXINBIAOLNM-UGSOOPFHSA-N -1 3 387.444 0.585 20 30 GCEDHM C=C[C@](C)(O)CC(=O)NC[C@H]1CCN1Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001573309615 947206477 /nfs/dbraw/zinc/20/64/77/947206477.db2.gz LONHTVFPLUEZHU-KUHUBIRLSA-N -1 3 386.456 0.893 20 30 GCEDHM C=C[C@](C)(O)CC(=O)NC[C@H]1CCN1Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001573309615 947206489 /nfs/dbraw/zinc/20/64/89/947206489.db2.gz LONHTVFPLUEZHU-KUHUBIRLSA-N -1 3 386.456 0.893 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573309662 947206567 /nfs/dbraw/zinc/20/65/67/947206567.db2.gz MNDLZOBQLXCYDG-DIFFPNOSSA-N -1 3 375.408 0.988 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573309662 947206577 /nfs/dbraw/zinc/20/65/77/947206577.db2.gz MNDLZOBQLXCYDG-DIFFPNOSSA-N -1 3 375.408 0.988 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCC1(F)F ZINC001573583822 947211843 /nfs/dbraw/zinc/21/18/43/947211843.db2.gz PLLFPKSCWFZCOK-MNOVXSKESA-N -1 3 376.371 0.999 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCC1(F)F ZINC001573583822 947211850 /nfs/dbraw/zinc/21/18/50/947211850.db2.gz PLLFPKSCWFZCOK-MNOVXSKESA-N -1 3 376.371 0.999 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CCCO1 ZINC001573584290 947215141 /nfs/dbraw/zinc/21/51/41/947215141.db2.gz SQYJJRPWNGUHTO-JSGCOSHPSA-N -1 3 387.419 0.873 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)NCCC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573310279 947221402 /nfs/dbraw/zinc/22/14/02/947221402.db2.gz VXVLAEHXHOYEKG-QGZVFWFLSA-N -1 3 387.444 0.538 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)NCCC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573310279 947221414 /nfs/dbraw/zinc/22/14/14/947221414.db2.gz VXVLAEHXHOYEKG-QGZVFWFLSA-N -1 3 387.444 0.538 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CC2 ZINC001573584784 947235397 /nfs/dbraw/zinc/23/53/97/947235397.db2.gz DYIZVYZMHSSJMA-YRILPIOLSA-N -1 3 382.428 0.855 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CC2 ZINC001573584784 947235407 /nfs/dbraw/zinc/23/54/07/947235407.db2.gz DYIZVYZMHSSJMA-YRILPIOLSA-N -1 3 382.428 0.855 20 30 GCEDHM CN(C)S(=O)(=O)c1ccc(OCCn2cnc(C#N)c2-c2nnn[n-]2)cc1 ZINC000825875730 947353267 /nfs/dbraw/zinc/35/32/67/947353267.db2.gz WUQYNVUPURAIDD-UHFFFAOYSA-N -1 3 388.413 0.264 20 30 GCEDHM C=CCCC(=O)NCCCN1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573327464 947388919 /nfs/dbraw/zinc/38/89/19/947388919.db2.gz GCUUYSXJFGFUDS-UHFFFAOYSA-N -1 3 388.451 0.995 20 30 GCEDHM C=CCCC(=O)NCCCN1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573327464 947388933 /nfs/dbraw/zinc/38/89/33/947388933.db2.gz GCUUYSXJFGFUDS-UHFFFAOYSA-N -1 3 388.451 0.995 20 30 GCEDHM C=CCCC(=O)N1CC[C@H](N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001573329027 947416577 /nfs/dbraw/zinc/41/65/77/947416577.db2.gz GOCWMFHUSMFRHM-INIZCTEOSA-N -1 3 382.472 0.951 20 30 GCEDHM C=CCCC(=O)N1CC[C@H](N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001573329027 947416583 /nfs/dbraw/zinc/41/65/83/947416583.db2.gz GOCWMFHUSMFRHM-INIZCTEOSA-N -1 3 382.472 0.951 20 30 GCEDHM C=CCCCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573334383 947454105 /nfs/dbraw/zinc/45/41/05/947454105.db2.gz MPNDHCOHTHIXTK-ZDUSSCGKSA-N -1 3 375.433 0.442 20 30 GCEDHM C=CCCCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573334383 947454111 /nfs/dbraw/zinc/45/41/11/947454111.db2.gz MPNDHCOHTHIXTK-ZDUSSCGKSA-N -1 3 375.433 0.442 20 30 GCEDHM C=CCCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001573335816 947490167 /nfs/dbraw/zinc/49/01/67/947490167.db2.gz DXKFKMQFVFANDO-NFAWXSAZSA-N -1 3 385.428 0.649 20 30 GCEDHM C=CCCOCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001573335816 947490172 /nfs/dbraw/zinc/49/01/72/947490172.db2.gz DXKFKMQFVFANDO-NFAWXSAZSA-N -1 3 385.428 0.649 20 30 GCEDHM C=CCCOCC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573335871 947491773 /nfs/dbraw/zinc/49/17/73/947491773.db2.gz FNLBKAOATABIFE-ZIAGYGMSSA-N -1 3 387.444 0.945 20 30 GCEDHM C=CCCOCC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573335871 947491782 /nfs/dbraw/zinc/49/17/82/947491782.db2.gz FNLBKAOATABIFE-ZIAGYGMSSA-N -1 3 387.444 0.945 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573336114 947500027 /nfs/dbraw/zinc/50/00/27/947500027.db2.gz IVCWIIXXZWRTRW-GXTWGEPZSA-N -1 3 387.444 0.849 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573336114 947500039 /nfs/dbraw/zinc/50/00/39/947500039.db2.gz IVCWIIXXZWRTRW-GXTWGEPZSA-N -1 3 387.444 0.849 20 30 GCEDHM C=CCCOCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C(C)(C)C1 ZINC001573337409 947516115 /nfs/dbraw/zinc/51/61/15/947516115.db2.gz XCCSRHANMKINMT-CQSZACIVSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CCCOCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C(C)(C)C1 ZINC001573337409 947516122 /nfs/dbraw/zinc/51/61/22/947516122.db2.gz XCCSRHANMKINMT-CQSZACIVSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CCOCC(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)[C@H](OCC)C1 ZINC001573342768 947545357 /nfs/dbraw/zinc/54/53/57/947545357.db2.gz CSYRZOLIWCSKLM-CZUORRHYSA-N -1 3 387.444 0.740 20 30 GCEDHM C=CCOCC(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)[C@H](OCC)C1 ZINC001573342768 947545370 /nfs/dbraw/zinc/54/53/70/947545370.db2.gz CSYRZOLIWCSKLM-CZUORRHYSA-N -1 3 387.444 0.740 20 30 GCEDHM C=CCOCC(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573342734 947545760 /nfs/dbraw/zinc/54/57/60/947545760.db2.gz BLUSOSDIUMBAPH-UHFFFAOYSA-N -1 3 387.444 0.220 20 30 GCEDHM C=CCOCC(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573342734 947545770 /nfs/dbraw/zinc/54/57/70/947545770.db2.gz BLUSOSDIUMBAPH-UHFFFAOYSA-N -1 3 387.444 0.220 20 30 GCEDHM C=CCOCC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC[C@H]21 ZINC001573342840 947548220 /nfs/dbraw/zinc/54/82/20/947548220.db2.gz FMEWDYQLCMYIIF-SWLSCSKDSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCOCC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC[C@H]21 ZINC001573342840 947548230 /nfs/dbraw/zinc/54/82/30/947548230.db2.gz FMEWDYQLCMYIIF-SWLSCSKDSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCOCC(=O)N1CCCO[C@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573343252 947554830 /nfs/dbraw/zinc/55/48/30/947554830.db2.gz LMSVLNSXOCAHBF-CQSZACIVSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCOCC(=O)N1CCCO[C@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573343252 947554834 /nfs/dbraw/zinc/55/48/34/947554834.db2.gz LMSVLNSXOCAHBF-CQSZACIVSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCOC[C@H](NS(=O)(=O)c1ccc(C)cc1-c1nnn[n-]1)C(=O)OC ZINC001573343357 947557321 /nfs/dbraw/zinc/55/73/21/947557321.db2.gz NKZSICYXMIPECE-LBPRGKRZSA-N -1 3 381.414 0.198 20 30 GCEDHM C=CCOC[C@H](NS(=O)(=O)c1ccc(C)cc1-c1nn[n-]n1)C(=O)OC ZINC001573343357 947557327 /nfs/dbraw/zinc/55/73/27/947557327.db2.gz NKZSICYXMIPECE-LBPRGKRZSA-N -1 3 381.414 0.198 20 30 GCEDHM C=CCOCCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C ZINC001573347079 947570983 /nfs/dbraw/zinc/57/09/83/947570983.db2.gz AELZODXITQJAOY-CHWSQXEVSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCOCCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001573347079 947570987 /nfs/dbraw/zinc/57/09/87/947570987.db2.gz AELZODXITQJAOY-CHWSQXEVSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCOCCCC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1O ZINC001573347780 947576280 /nfs/dbraw/zinc/57/62/80/947576280.db2.gz HUIXEQJMFZYVSW-HUUCEWRRSA-N -1 3 387.444 0.219 20 30 GCEDHM C=CCOCCCC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1O ZINC001573347780 947576285 /nfs/dbraw/zinc/57/62/85/947576285.db2.gz HUIXEQJMFZYVSW-HUUCEWRRSA-N -1 3 387.444 0.219 20 30 GCEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001573348569 947587068 /nfs/dbraw/zinc/58/70/68/947587068.db2.gz RXBAHYWXUCSZSI-CQSZACIVSA-N -1 3 392.427 0.525 20 30 GCEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001573348569 947587074 /nfs/dbraw/zinc/58/70/74/947587074.db2.gz RXBAHYWXUCSZSI-CQSZACIVSA-N -1 3 392.427 0.525 20 30 GCEDHM C=CCOCCCC(=O)N1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573348950 947589080 /nfs/dbraw/zinc/58/90/80/947589080.db2.gz XDXASWYRGCAXBT-CYBMUJFWSA-N -1 3 387.444 0.756 20 30 GCEDHM C=CCOCCCC(=O)N1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573348950 947589090 /nfs/dbraw/zinc/58/90/90/947589090.db2.gz XDXASWYRGCAXBT-CYBMUJFWSA-N -1 3 387.444 0.756 20 30 GCEDHM C[C@@H](C(=O)N1CC[C@H](N(C)c2cccc(-c3nnn[n-]3)c2)C1)n1cnc(C#N)n1 ZINC001573615264 947601530 /nfs/dbraw/zinc/60/15/30/947601530.db2.gz CRXHAWJYVPZRGU-WFASDCNBSA-N -1 3 392.427 0.628 20 30 GCEDHM C[C@@H](C(=O)N1CC[C@H](N(C)c2cccc(-c3nn[n-]n3)c2)C1)n1cnc(C#N)n1 ZINC001573615264 947601538 /nfs/dbraw/zinc/60/15/38/947601538.db2.gz CRXHAWJYVPZRGU-WFASDCNBSA-N -1 3 392.427 0.628 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001573350699 947601874 /nfs/dbraw/zinc/60/18/74/947601874.db2.gz JAHZTPFISIRRHI-OAGGEKHMSA-N -1 3 382.424 0.675 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001573350699 947601879 /nfs/dbraw/zinc/60/18/79/947601879.db2.gz JAHZTPFISIRRHI-OAGGEKHMSA-N -1 3 382.424 0.675 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573350971 947605577 /nfs/dbraw/zinc/60/55/77/947605577.db2.gz MKAGOXLMQVLLHE-ZOWXZIJZSA-N -1 3 385.428 0.459 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573350971 947605591 /nfs/dbraw/zinc/60/55/91/947605591.db2.gz MKAGOXLMQVLLHE-ZOWXZIJZSA-N -1 3 385.428 0.459 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573350973 947606541 /nfs/dbraw/zinc/60/65/41/947606541.db2.gz MLHLZMDNWUHEJU-BJJXKVORSA-N -1 3 399.455 0.754 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573350973 947606548 /nfs/dbraw/zinc/60/65/48/947606548.db2.gz MLHLZMDNWUHEJU-BJJXKVORSA-N -1 3 399.455 0.754 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(CC)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573351049 947607561 /nfs/dbraw/zinc/60/75/61/947607561.db2.gz IVLKULJMXWPNRZ-HIFRSBDPSA-N -1 3 387.444 0.754 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(CC)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573351049 947607568 /nfs/dbraw/zinc/60/75/68/947607568.db2.gz IVLKULJMXWPNRZ-HIFRSBDPSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CCn1cc(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C2CC2)nn1 ZINC001573351246 947609696 /nfs/dbraw/zinc/60/96/96/947609696.db2.gz OSFKUCRYGZCCCB-ZDUSSCGKSA-N -1 3 380.416 0.660 20 30 GCEDHM C=CCn1cc(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C2CC2)nn1 ZINC001573351246 947609706 /nfs/dbraw/zinc/60/97/06/947609706.db2.gz OSFKUCRYGZCCCB-ZDUSSCGKSA-N -1 3 380.416 0.660 20 30 GCEDHM C=CCn1cc(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C2CC2)nn1 ZINC001573351243 947610731 /nfs/dbraw/zinc/61/07/31/947610731.db2.gz OSFKUCRYGZCCCB-CYBMUJFWSA-N -1 3 380.416 0.660 20 30 GCEDHM C=CCn1cc(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C2CC2)nn1 ZINC001573351243 947610739 /nfs/dbraw/zinc/61/07/39/947610739.db2.gz OSFKUCRYGZCCCB-CYBMUJFWSA-N -1 3 380.416 0.660 20 30 GCEDHM C=CCn1cc(C(=O)NCC=CCNc2nc(C)ccc2-c2nnn[n-]2)nn1 ZINC001573351319 947612097 /nfs/dbraw/zinc/61/20/97/947612097.db2.gz QNIYRXCVCDGSQV-SNAWJCMRSA-N -1 3 380.416 0.746 20 30 GCEDHM C=CCn1cc(C(=O)NCC=CCNc2nc(C)ccc2-c2nn[n-]n2)nn1 ZINC001573351319 947612101 /nfs/dbraw/zinc/61/21/01/947612101.db2.gz QNIYRXCVCDGSQV-SNAWJCMRSA-N -1 3 380.416 0.746 20 30 GCEDHM C=CCn1cc(C(=O)NCC=CCNc2nc(C)ccc2-c2nnn[n-]2)nn1 ZINC001573351318 947613089 /nfs/dbraw/zinc/61/30/89/947613089.db2.gz QNIYRXCVCDGSQV-PLNGDYQASA-N -1 3 380.416 0.746 20 30 GCEDHM C=CCn1cc(C(=O)NCC=CCNc2nc(C)ccc2-c2nn[n-]n2)nn1 ZINC001573351318 947613096 /nfs/dbraw/zinc/61/30/96/947613096.db2.gz QNIYRXCVCDGSQV-PLNGDYQASA-N -1 3 380.416 0.746 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573351617 947616698 /nfs/dbraw/zinc/61/66/98/947616698.db2.gz UOCIJRPZEHYALU-LTZCYQRMSA-N -1 3 385.428 0.363 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573351617 947616710 /nfs/dbraw/zinc/61/67/10/947616710.db2.gz UOCIJRPZEHYALU-LTZCYQRMSA-N -1 3 385.428 0.363 20 30 GCEDHM C=CCn1cc(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nc3)CCC2)nn1 ZINC001573351870 947621913 /nfs/dbraw/zinc/62/19/13/947621913.db2.gz WOXLGBIZWAOOTM-UHFFFAOYSA-N -1 3 380.416 0.804 20 30 GCEDHM C=CCn1cc(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nc3)CCC2)nn1 ZINC001573351870 947621919 /nfs/dbraw/zinc/62/19/19/947621919.db2.gz WOXLGBIZWAOOTM-UHFFFAOYSA-N -1 3 380.416 0.804 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)CCO1 ZINC001573352209 947628871 /nfs/dbraw/zinc/62/88/71/947628871.db2.gz YVBOHAMUTRVWDH-LZWOXQAQSA-N -1 3 399.455 0.483 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)CCO1 ZINC001573352209 947628882 /nfs/dbraw/zinc/62/88/82/947628882.db2.gz YVBOHAMUTRVWDH-LZWOXQAQSA-N -1 3 399.455 0.483 20 30 GCEDHM CC#CCCCC(=O)N[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2OC)C[C@H]1O ZINC001573358826 947673247 /nfs/dbraw/zinc/67/32/47/947673247.db2.gz REUCECPKIRSZCS-IAGOWNOFSA-N -1 3 398.467 0.730 20 30 GCEDHM CC#CCCCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001573359368 947685704 /nfs/dbraw/zinc/68/57/04/947685704.db2.gz ZXCLYHABARFBJC-QKDCVEJESA-N -1 3 381.440 0.823 20 30 GCEDHM CC#CCCCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001573359368 947685710 /nfs/dbraw/zinc/68/57/10/947685710.db2.gz ZXCLYHABARFBJC-QKDCVEJESA-N -1 3 381.440 0.823 20 30 GCEDHM Cc1onc(CC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1C#N ZINC000826346693 948043448 /nfs/dbraw/zinc/04/34/48/948043448.db2.gz TYMZCRNHLRWZQA-UHFFFAOYSA-N -1 3 393.411 0.758 20 30 GCEDHM Cc1onc(CC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1C#N ZINC000826346693 948043457 /nfs/dbraw/zinc/04/34/57/948043457.db2.gz TYMZCRNHLRWZQA-UHFFFAOYSA-N -1 3 393.411 0.758 20 30 GCEDHM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000826383393 948182861 /nfs/dbraw/zinc/18/28/61/948182861.db2.gz YOBNVEYNESOREU-UHFFFAOYSA-N -1 3 377.412 0.279 20 30 GCEDHM N#Cc1cc(C(=O)NC[C@H]2CCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c[nH]1 ZINC000826383707 948184369 /nfs/dbraw/zinc/18/43/69/948184369.db2.gz MPHCUKSLGAPWDE-CYBMUJFWSA-N -1 3 379.384 0.429 20 30 GCEDHM N#Cc1cc(C(=O)NC[C@H]2CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c[nH]1 ZINC000826383707 948184376 /nfs/dbraw/zinc/18/43/76/948184376.db2.gz MPHCUKSLGAPWDE-CYBMUJFWSA-N -1 3 379.384 0.429 20 30 GCEDHM N#Cc1cc(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c[nH]1 ZINC000826383719 948184631 /nfs/dbraw/zinc/18/46/31/948184631.db2.gz NDKVHDAGWINIMU-YGRLFVJLSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1cc(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c[nH]1 ZINC000826383719 948184636 /nfs/dbraw/zinc/18/46/36/948184636.db2.gz NDKVHDAGWINIMU-YGRLFVJLSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1ncn(CC(=O)N2CCN(Cc3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826388154 948191931 /nfs/dbraw/zinc/19/19/31/948191931.db2.gz KJQXIUIYJYYKMD-UHFFFAOYSA-N -1 3 377.412 0.279 20 30 GCEDHM N#Cc1ncn(CC(=O)N2CCN(Cc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826388154 948191936 /nfs/dbraw/zinc/19/19/36/948191936.db2.gz KJQXIUIYJYYKMD-UHFFFAOYSA-N -1 3 377.412 0.279 20 30 GCEDHM N#Cc1ncn(CC(=O)N2CCN(Cc3cccs3)CC2)c1-c1nnn[n-]1 ZINC000826388400 948194372 /nfs/dbraw/zinc/19/43/72/948194372.db2.gz WQIHGAXALSQOQG-UHFFFAOYSA-N -1 3 383.441 0.341 20 30 GCEDHM N#Cc1ncn(CC(=O)N2CCN(Cc3cccs3)CC2)c1-c1nn[n-]n1 ZINC000826388400 948194376 /nfs/dbraw/zinc/19/43/76/948194376.db2.gz WQIHGAXALSQOQG-UHFFFAOYSA-N -1 3 383.441 0.341 20 30 GCEDHM CC1(Nc2ccncc2C#N)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575854661 949238002 /nfs/dbraw/zinc/23/80/02/949238002.db2.gz ZIRADSXUKVLAIT-UHFFFAOYSA-N -1 3 377.412 0.990 20 30 GCEDHM CC1(Nc2ccncc2C#N)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575854661 949238024 /nfs/dbraw/zinc/23/80/24/949238024.db2.gz ZIRADSXUKVLAIT-UHFFFAOYSA-N -1 3 377.412 0.990 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1c1ccnc(C#N)n1 ZINC001575882143 949757765 /nfs/dbraw/zinc/75/77/65/949757765.db2.gz GYXMAIKFNIIJJH-ZYHUDNBSSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1c1ccnc(C#N)n1 ZINC001575882143 949757781 /nfs/dbraw/zinc/75/77/81/949757781.db2.gz GYXMAIKFNIIJJH-ZYHUDNBSSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1c1cnc(C#N)cn1 ZINC001575882529 949778356 /nfs/dbraw/zinc/77/83/56/949778356.db2.gz MKMHECFIFRUQDI-GXFFZTMASA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1c1cnc(C#N)cn1 ZINC001575882529 949778371 /nfs/dbraw/zinc/77/83/71/949778371.db2.gz MKMHECFIFRUQDI-GXFFZTMASA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575882895 949798781 /nfs/dbraw/zinc/79/87/81/949798781.db2.gz BOAPEOJOMPTLJO-RNCFNFMXSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575882895 949798798 /nfs/dbraw/zinc/79/87/98/949798798.db2.gz BOAPEOJOMPTLJO-RNCFNFMXSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575884939 949853080 /nfs/dbraw/zinc/85/30/80/949853080.db2.gz IZLSRSYLYYUUBA-SKDRFNHKSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575884939 949853106 /nfs/dbraw/zinc/85/31/06/949853106.db2.gz IZLSRSYLYYUUBA-SKDRFNHKSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575890194 949948682 /nfs/dbraw/zinc/94/86/82/949948682.db2.gz WCTYSBBUXLPDNZ-NOZJJQNGSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575890194 949948694 /nfs/dbraw/zinc/94/86/94/949948694.db2.gz WCTYSBBUXLPDNZ-NOZJJQNGSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1CNc1ccnc(C#N)n1 ZINC001576180410 949955543 /nfs/dbraw/zinc/95/55/43/949955543.db2.gz HQXVVYLHUOFUSG-FZMZJTMJSA-N -1 3 392.427 0.631 20 30 GCEDHM C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1CNc1ccnc(C#N)n1 ZINC001576180410 949955562 /nfs/dbraw/zinc/95/55/62/949955562.db2.gz HQXVVYLHUOFUSG-FZMZJTMJSA-N -1 3 392.427 0.631 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575891715 950029923 /nfs/dbraw/zinc/02/99/23/950029923.db2.gz MXWNMUQSBPJFOA-CABZTGNLSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575891715 950029944 /nfs/dbraw/zinc/02/99/44/950029944.db2.gz MXWNMUQSBPJFOA-CABZTGNLSA-N -1 3 379.384 0.428 20 30 GCEDHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n1 ZINC001573881830 950754545 /nfs/dbraw/zinc/75/45/45/950754545.db2.gz IFUIQAKFTCSVHY-APPDUMDISA-N -1 3 387.469 0.934 20 30 GCEDHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n1 ZINC001573881830 950754560 /nfs/dbraw/zinc/75/45/60/950754560.db2.gz IFUIQAKFTCSVHY-APPDUMDISA-N -1 3 387.469 0.934 20 30 GCEDHM C[C@](CNc1ccnc(C#N)n1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575145246 952179900 /nfs/dbraw/zinc/17/99/00/952179900.db2.gz UGEQXQPGBFYJBG-QGZVFWFLSA-N -1 3 378.400 0.289 20 30 GCEDHM C[C@](CNc1ccnc(C#N)n1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575145246 952179905 /nfs/dbraw/zinc/17/99/05/952179905.db2.gz UGEQXQPGBFYJBG-QGZVFWFLSA-N -1 3 378.400 0.289 20 30 GCEDHM C[C@](CNc1cncc(C#N)n1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575164995 952302468 /nfs/dbraw/zinc/30/24/68/952302468.db2.gz IVNORUPBAQTDNH-QGZVFWFLSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@](CNc1cncc(C#N)n1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575164995 952302474 /nfs/dbraw/zinc/30/24/74/952302474.db2.gz IVNORUPBAQTDNH-QGZVFWFLSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1ccc(N2C[C@@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@@H]3C2)cn1 ZINC001571114270 952451681 /nfs/dbraw/zinc/45/16/81/952451681.db2.gz FFKCFXZRZFWQBP-BETUJISGSA-N -1 3 375.396 0.670 20 30 GCEDHM N#Cc1ccc(N2C[C@@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@@H]3C2)cn1 ZINC001571114270 952451685 /nfs/dbraw/zinc/45/16/85/952451685.db2.gz FFKCFXZRZFWQBP-BETUJISGSA-N -1 3 375.396 0.670 20 30 GCEDHM N#Cc1nccc(N2C[C@@H]3CCN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)[C@@H]3C2)n1 ZINC001571120797 952508835 /nfs/dbraw/zinc/50/88/35/952508835.db2.gz QGTCPEXNYVZNOT-GXFFZTMASA-N -1 3 376.384 0.207 20 30 GCEDHM N#Cc1nccc(N2C[C@@H]3CCN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)[C@@H]3C2)n1 ZINC001571120797 952508838 /nfs/dbraw/zinc/50/88/38/952508838.db2.gz QGTCPEXNYVZNOT-GXFFZTMASA-N -1 3 376.384 0.207 20 30 GCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1CNc1ccncc1C#N ZINC001571124575 952541929 /nfs/dbraw/zinc/54/19/29/952541929.db2.gz NQUKCBHVEYWVJE-BXUZGUMPSA-N -1 3 377.412 0.704 20 30 GCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1CNc1ccncc1C#N ZINC001571124575 952541933 /nfs/dbraw/zinc/54/19/33/952541933.db2.gz NQUKCBHVEYWVJE-BXUZGUMPSA-N -1 3 377.412 0.704 20 30 GCEDHM COc1ccc(-c2nn[n-]n2)cc1CN1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001571130521 952581102 /nfs/dbraw/zinc/58/11/02/952581102.db2.gz SDZYEOHSCLYSHN-UHFFFAOYSA-N -1 3 378.396 0.689 20 30 GCEDHM C[C@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CN1c1cnc(C#N)cn1 ZINC001571135704 952608340 /nfs/dbraw/zinc/60/83/40/952608340.db2.gz BIWRPCQZPZLKOS-QWRGUYRKSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CN1c1cnc(C#N)cn1 ZINC001571135704 952608342 /nfs/dbraw/zinc/60/83/42/952608342.db2.gz BIWRPCQZPZLKOS-QWRGUYRKSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@H]1Nc1nccnc1C#N ZINC001571135839 952608724 /nfs/dbraw/zinc/60/87/24/952608724.db2.gz FTORYKIDRZDFQT-WDEREUQCSA-N -1 3 378.400 0.819 20 30 GCEDHM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@H]1Nc1nccnc1C#N ZINC001571135839 952608727 /nfs/dbraw/zinc/60/87/27/952608727.db2.gz FTORYKIDRZDFQT-WDEREUQCSA-N -1 3 378.400 0.819 20 30 GCEDHM Cc1cc(C#N)nc(N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571135934 952610338 /nfs/dbraw/zinc/61/03/38/952610338.db2.gz IORIYVOLFPXYJO-GFCCVEGCSA-N -1 3 378.400 0.882 20 30 GCEDHM Cc1cc(C#N)nc(N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571135934 952610341 /nfs/dbraw/zinc/61/03/41/952610341.db2.gz IORIYVOLFPXYJO-GFCCVEGCSA-N -1 3 378.400 0.882 20 30 GCEDHM C[C@@]1(CNc2cnc(C#N)cn2)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571135973 952610881 /nfs/dbraw/zinc/61/08/81/952610881.db2.gz JMURLOFKOGTSMM-KRWDZBQOSA-N -1 3 378.400 0.821 20 30 GCEDHM C[C@@]1(CNc2cnc(C#N)cn2)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571135973 952610886 /nfs/dbraw/zinc/61/08/86/952610886.db2.gz JMURLOFKOGTSMM-KRWDZBQOSA-N -1 3 378.400 0.821 20 30 GCEDHM CC[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1c1nccnc1C#N ZINC001571136011 952611111 /nfs/dbraw/zinc/61/11/11/952611111.db2.gz KONWKPAALDZRCO-IINYFYTJSA-N -1 3 378.400 0.644 20 30 GCEDHM CC[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1c1nccnc1C#N ZINC001571136011 952611112 /nfs/dbraw/zinc/61/11/12/952611112.db2.gz KONWKPAALDZRCO-IINYFYTJSA-N -1 3 378.400 0.644 20 30 GCEDHM N#Cc1nccnc1NC[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571136328 952612913 /nfs/dbraw/zinc/61/29/13/952612913.db2.gz OFUUPBMOQNPNNI-JQWIXIFHSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1nccnc1NC[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571136328 952612916 /nfs/dbraw/zinc/61/29/16/952612916.db2.gz OFUUPBMOQNPNNI-JQWIXIFHSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1nccnc1NC[C@H]1CCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571136331 952613276 /nfs/dbraw/zinc/61/32/76/952613276.db2.gz OFUUPBMOQNPNNI-ZYHUDNBSSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1nccnc1NC[C@H]1CCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571136331 952613280 /nfs/dbraw/zinc/61/32/80/952613280.db2.gz OFUUPBMOQNPNNI-ZYHUDNBSSA-N -1 3 378.400 0.867 20 30 GCEDHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001571139561 952620115 /nfs/dbraw/zinc/62/01/15/952620115.db2.gz IAKOMLQMISMRHE-LBPRGKRZSA-N -1 3 379.384 0.381 20 30 GCEDHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001571139561 952620119 /nfs/dbraw/zinc/62/01/19/952620119.db2.gz IAKOMLQMISMRHE-LBPRGKRZSA-N -1 3 379.384 0.381 20 30 GCEDHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571140361 952624341 /nfs/dbraw/zinc/62/43/41/952624341.db2.gz PWUGZUVOYFCWGR-LLVKDONJSA-N -1 3 379.384 0.381 20 30 GCEDHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571140361 952624344 /nfs/dbraw/zinc/62/43/44/952624344.db2.gz PWUGZUVOYFCWGR-LLVKDONJSA-N -1 3 379.384 0.381 20 30 GCEDHM C[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001571141324 952632430 /nfs/dbraw/zinc/63/24/30/952632430.db2.gz XMEHEALBMVZHSN-ZANVPECISA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001571141324 952632436 /nfs/dbraw/zinc/63/24/36/952632436.db2.gz XMEHEALBMVZHSN-ZANVPECISA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001571141322 952632498 /nfs/dbraw/zinc/63/24/98/952632498.db2.gz XMEHEALBMVZHSN-TVQRCGJNSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001571141322 952632500 /nfs/dbraw/zinc/63/25/00/952632500.db2.gz XMEHEALBMVZHSN-TVQRCGJNSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001571141321 952632617 /nfs/dbraw/zinc/63/26/17/952632617.db2.gz XMEHEALBMVZHSN-RNCFNFMXSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001571141321 952632619 /nfs/dbraw/zinc/63/26/19/952632619.db2.gz XMEHEALBMVZHSN-RNCFNFMXSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571141317 952633081 /nfs/dbraw/zinc/63/30/81/952633081.db2.gz XKYZYNFRSJUFPL-SKDRFNHKSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571141317 952633084 /nfs/dbraw/zinc/63/30/84/952633084.db2.gz XKYZYNFRSJUFPL-SKDRFNHKSA-N -1 3 379.384 0.428 20 30 GCEDHM Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](C)[C@@H](C(=O)[O-])C3)CC2)o1 ZINC001605398204 973380332 /nfs/dbraw/zinc/38/03/32/973380332.db2.gz DSDOKQVQAQNJED-OCCSQVGLSA-N -1 3 375.429 0.546 20 30 GCEDHM Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(C)(C(=O)[O-])CC3)CC2)o1 ZINC001605398379 973381651 /nfs/dbraw/zinc/38/16/51/973381651.db2.gz NBGNPTDEONPRBV-UHFFFAOYSA-N -1 3 375.429 0.690 20 30 GCEDHM C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001588909818 984545759 /nfs/dbraw/zinc/54/57/59/984545759.db2.gz AZBBHLGMEHOWFW-MGPQQGTHSA-N -1 3 377.445 0.583 20 30 GCEDHM COC(=O)CCN1CC[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1=O ZINC000476533864 530125740 /nfs/dbraw/zinc/12/57/40/530125740.db2.gz LMRGINUSNHODOO-GFCCVEGCSA-N -1 3 385.829 0.654 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@@H]1CCS(=O)(=O)C1 ZINC000283486535 530207454 /nfs/dbraw/zinc/20/74/54/530207454.db2.gz ICIPUCPSQMEIJU-MRVPVSSYSA-N -1 3 379.257 0.786 20 30 GCEDHM CS(=O)(=O)NCCC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000286583309 530201153 /nfs/dbraw/zinc/20/11/53/530201153.db2.gz KASWIGGMYKLCTO-UHFFFAOYSA-N -1 3 396.288 0.538 20 30 GCEDHM C[C@@H]1C[C@@H](CNS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CCO1 ZINC000584123788 530204465 /nfs/dbraw/zinc/20/44/65/530204465.db2.gz IZILKYXJIUHCMM-OLZOCXBDSA-N -1 3 387.483 0.582 20 30 GCEDHM N#CCN1CCC[C@H](CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC000530882463 530166075 /nfs/dbraw/zinc/16/60/75/530166075.db2.gz CPZGSFCLWZCGGV-SNVBAGLBSA-N -1 3 384.234 0.063 20 30 GCEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCCOC1 ZINC000564585840 530185294 /nfs/dbraw/zinc/18/52/94/530185294.db2.gz NGJACTKEEQWXPR-LBPRGKRZSA-N -1 3 387.483 0.724 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)CCO1 ZINC000410127467 530235279 /nfs/dbraw/zinc/23/52/79/530235279.db2.gz NJSLLPGHBKKXLQ-LBPRGKRZSA-N -1 3 383.817 0.949 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1C[C@@H](O)C1 ZINC000600760918 530242000 /nfs/dbraw/zinc/24/20/00/530242000.db2.gz MPKGOUSPSCECJK-RWMBFGLXSA-N -1 3 387.483 0.268 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1Br ZINC000433875110 530246716 /nfs/dbraw/zinc/24/67/16/530246716.db2.gz OEZFJFWVNCVPEN-NSHDSACASA-N -1 3 399.226 0.245 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1Br ZINC000433875109 530246758 /nfs/dbraw/zinc/24/67/58/530246758.db2.gz OEZFJFWVNCVPEN-LLVKDONJSA-N -1 3 399.226 0.245 20 30 GCEDHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N(CCC#N)C(C)C)s1 ZINC000531056477 530248773 /nfs/dbraw/zinc/24/87/73/530248773.db2.gz BRIMMVFFPRNPKZ-UHFFFAOYSA-N -1 3 386.499 0.813 20 30 GCEDHM N#Cc1ccsc1NC(=O)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000550949615 530250657 /nfs/dbraw/zinc/25/06/57/530250657.db2.gz ODLVAQIMDBSHRP-UHFFFAOYSA-N -1 3 384.464 0.714 20 30 GCEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-][C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000285076402 530218626 /nfs/dbraw/zinc/21/86/26/530218626.db2.gz LOYZDUWINFMNQO-GFCCVEGCSA-N -1 3 399.416 0.967 20 30 GCEDHM CN(C)S(=O)(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1)C(F)(F)F ZINC000285122184 530218640 /nfs/dbraw/zinc/21/86/40/530218640.db2.gz PFVRWHBWYRXAAJ-LLVKDONJSA-N -1 3 385.389 0.659 20 30 GCEDHM CC[C@H](CO)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C#N ZINC000583452049 530274357 /nfs/dbraw/zinc/27/43/57/530274357.db2.gz QTFSZCBNBMTEBN-NWDGAFQWSA-N -1 3 375.472 0.268 20 30 GCEDHM CC[C@H](CO)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C#N ZINC000583452050 530274532 /nfs/dbraw/zinc/27/45/32/530274532.db2.gz QTFSZCBNBMTEBN-VXGBXAGGSA-N -1 3 375.472 0.268 20 30 GCEDHM COC[C@@H](C)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000566807285 530291582 /nfs/dbraw/zinc/29/15/82/530291582.db2.gz LDOBSHBSLIEZLA-GFCCVEGCSA-N -1 3 389.499 0.922 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]CCNS(=O)(=O)Cc2ccon2)s1 ZINC000435430636 530255516 /nfs/dbraw/zinc/25/55/16/530255516.db2.gz DFPJZCBESDZYHW-UHFFFAOYSA-N -1 3 376.441 0.006 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]CCS(=O)(=O)NC[C@@H]2CCCCO2)s1 ZINC000435425886 530255569 /nfs/dbraw/zinc/25/55/69/530255569.db2.gz FFEJAJDDEQGEIY-NSHDSACASA-N -1 3 393.512 0.387 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]CCS(=O)(=O)NC[C@H]2CCCCO2)s1 ZINC000435425885 530255614 /nfs/dbraw/zinc/25/56/14/530255614.db2.gz FFEJAJDDEQGEIY-LLVKDONJSA-N -1 3 393.512 0.387 20 30 GCEDHM CN(C)S(=O)(=O)CC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000289424015 530263827 /nfs/dbraw/zinc/26/38/27/530263827.db2.gz CMSHXNDXQWOZSY-UHFFFAOYSA-N -1 3 396.288 0.490 20 30 GCEDHM C[C@H](C#N)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CC#N)C1CC1 ZINC000583392195 530268843 /nfs/dbraw/zinc/26/88/43/530268843.db2.gz YDANLQDYSDLEET-GFCCVEGCSA-N -1 3 382.467 0.801 20 30 GCEDHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCOC[C@H]2C#N)cc1F ZINC000271188656 530268906 /nfs/dbraw/zinc/26/89/06/530268906.db2.gz FLNUWIAOYCOFLU-LLVKDONJSA-N -1 3 391.446 0.890 20 30 GCEDHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@H](C#N)C2)cc1F ZINC000271216887 530269366 /nfs/dbraw/zinc/26/93/66/530269366.db2.gz NPOZFGBTMKWVEF-LLVKDONJSA-N -1 3 391.446 0.890 20 30 GCEDHM CS(=O)(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000573256125 530297130 /nfs/dbraw/zinc/29/71/30/530297130.db2.gz AFJAZSNKELAKQX-JTQLQIEISA-N -1 3 397.400 0.889 20 30 GCEDHM C=CCN(C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000142136814 530301693 /nfs/dbraw/zinc/30/16/93/530301693.db2.gz GVZNGZSOGAIGAT-NEPJUHHUSA-N -1 3 392.524 0.617 20 30 GCEDHM C=CCN(C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000142136379 530301944 /nfs/dbraw/zinc/30/19/44/530301944.db2.gz GVZNGZSOGAIGAT-VXGBXAGGSA-N -1 3 392.524 0.617 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](O)C1CCC1 ZINC000570344276 530318606 /nfs/dbraw/zinc/31/86/06/530318606.db2.gz UTQYUWZATJFJNU-WCQYABFASA-N -1 3 387.483 0.316 20 30 GCEDHM COC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C(=O)OC ZINC000564237891 530350361 /nfs/dbraw/zinc/35/03/61/530350361.db2.gz LITJLUYCNARFEN-SNVBAGLBSA-N -1 3 377.216 0.787 20 30 GCEDHM O=C(C[N-]C(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)NCC(F)F ZINC000280459962 530352922 /nfs/dbraw/zinc/35/29/22/530352922.db2.gz WVKSUJRRVLYKIY-UHFFFAOYSA-N -1 3 375.200 0.818 20 30 GCEDHM N#CC[C@@]1(O)CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000591991807 530412031 /nfs/dbraw/zinc/41/20/31/530412031.db2.gz MZDFSUBTHDGZRW-CYBMUJFWSA-N -1 3 392.890 0.740 20 30 GCEDHM N#CC[C@]1(O)CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2CC2)C1 ZINC000592076986 530413006 /nfs/dbraw/zinc/41/30/06/530413006.db2.gz AGFBMXPQQKGEIB-HNNXBMFYSA-N -1 3 385.467 0.166 20 30 GCEDHM N#C[C@@]1(F)CCN(S(=O)(=O)c2ccc(S(=O)(=O)[N-]CC(F)F)cc2)C1 ZINC000594627333 530432544 /nfs/dbraw/zinc/43/25/44/530432544.db2.gz WHZMOCHJFZCTES-ZDUSSCGKSA-N -1 3 397.400 0.856 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H](O)C1 ZINC000594633930 530435756 /nfs/dbraw/zinc/43/57/56/530435756.db2.gz ZAESIQNDYOBRHT-CHWSQXEVSA-N -1 3 387.483 0.270 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCCSC1 ZINC000594633849 530435930 /nfs/dbraw/zinc/43/59/30/530435930.db2.gz PVDJWROSTPLXKA-LLVKDONJSA-N -1 3 375.497 0.662 20 30 GCEDHM C[C@H]1CC(NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C[C@H](C)O1 ZINC000594634979 530436080 /nfs/dbraw/zinc/43/60/80/530436080.db2.gz IMDUFHHDPVLSPK-RYUDHWBXSA-N -1 3 387.483 0.723 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N)C1CCOCC1 ZINC000594635450 530436737 /nfs/dbraw/zinc/43/67/37/530436737.db2.gz ZCEAMRSNZQXEFA-LBPRGKRZSA-N -1 3 387.483 0.582 20 30 GCEDHM CC[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC(C)(C)O ZINC000594632722 530434648 /nfs/dbraw/zinc/43/46/48/530434648.db2.gz GNGKWPKHWAJCCA-GFCCVEGCSA-N -1 3 389.499 0.658 20 30 GCEDHM COC[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C#N ZINC000594633042 530434883 /nfs/dbraw/zinc/43/48/83/530434883.db2.gz LPHLNJCJUXLMPO-VXGBXAGGSA-N -1 3 375.472 0.532 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CCOCC1 ZINC000594633380 530434896 /nfs/dbraw/zinc/43/48/96/530434896.db2.gz HMRXBBJHDAYKSP-GFCCVEGCSA-N -1 3 387.483 0.676 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC(C)(C)CO ZINC000594633236 530434940 /nfs/dbraw/zinc/43/49/40/530434940.db2.gz AHEUNTUOHOZKLQ-UHFFFAOYSA-N -1 3 375.472 0.127 20 30 GCEDHM N#CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)NC2CCOCC2)CC1 ZINC000594633287 530435079 /nfs/dbraw/zinc/43/50/79/530435079.db2.gz DIAXRVXRZXKMAI-UHFFFAOYSA-N -1 3 385.467 0.478 20 30 GCEDHM CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCOC1 ZINC000594633544 530435352 /nfs/dbraw/zinc/43/53/52/530435352.db2.gz QKEUXWYTPJZDSI-ZDUSSCGKSA-N -1 3 387.483 0.536 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCC[C@H]1CCO ZINC000594633709 530435531 /nfs/dbraw/zinc/43/55/31/530435531.db2.gz AUQNBECDQSEKLZ-STQMWFEESA-N -1 3 387.483 0.318 20 30 GCEDHM C[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C[C@]1(C)CO ZINC000595961940 530451106 /nfs/dbraw/zinc/45/11/06/530451106.db2.gz NJXQNKMRUHCIAU-SWLSCSKDSA-N -1 3 387.483 0.127 20 30 GCEDHM N#Cc1c(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)n[nH]c1C1CC1 ZINC000568433833 530487080 /nfs/dbraw/zinc/48/70/80/530487080.db2.gz CNMFCNRLORHDBG-UHFFFAOYSA-N -1 3 379.174 0.822 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCN1CCC1 ZINC000518796143 530495012 /nfs/dbraw/zinc/49/50/12/530495012.db2.gz TZRBIQCYFKIDFP-CYBMUJFWSA-N -1 3 386.499 0.203 20 30 GCEDHM N#Cc1cccc(NC(=O)C(=O)NCC[N-]S(=O)(=O)c2cccs2)c1 ZINC000438442841 530501499 /nfs/dbraw/zinc/50/14/99/530501499.db2.gz DUQDCIHGCUNOBZ-UHFFFAOYSA-N -1 3 378.435 0.653 20 30 GCEDHM CN(CCC#N)S(=O)(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000330749810 530524376 /nfs/dbraw/zinc/52/43/76/530524376.db2.gz HOIRIJMVZDPHTQ-UHFFFAOYSA-N -1 3 392.528 0.581 20 30 GCEDHM CC[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C#N)[C@H](C)O ZINC000563431351 530525964 /nfs/dbraw/zinc/52/59/64/530525964.db2.gz OWKMHKLNMHVSHE-AVGNSLFASA-N -1 3 389.499 0.657 20 30 GCEDHM CN(Cc1cccc(C#N)c1)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000025102930 530529565 /nfs/dbraw/zinc/52/95/65/530529565.db2.gz ZHAPHFAOXXVEKO-UHFFFAOYSA-N -1 3 377.198 0.829 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1CCOCC1 ZINC000566487859 530530500 /nfs/dbraw/zinc/53/05/00/530530500.db2.gz AMWWOZIFNOVMMV-UHFFFAOYSA-N -1 3 387.483 0.536 20 30 GCEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCOCC1 ZINC000566488117 530531010 /nfs/dbraw/zinc/53/10/10/530531010.db2.gz ONNWRQBNYIDQAO-UHFFFAOYSA-N -1 3 387.483 0.678 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(CCO)CC1 ZINC000566985742 530536853 /nfs/dbraw/zinc/53/68/53/530536853.db2.gz WMFKPKCYRQFZCC-LBPRGKRZSA-N -1 3 387.483 0.412 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCCCO1 ZINC000568255892 530556564 /nfs/dbraw/zinc/55/65/64/530556564.db2.gz LXDZEUJOQQDHGN-ZDUSSCGKSA-N -1 3 387.483 0.678 20 30 GCEDHM CS[C@@H](C)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N ZINC000568413118 530559338 /nfs/dbraw/zinc/55/93/38/530559338.db2.gz VCPPXHSWVLKBNS-NSHDSACASA-N -1 3 377.513 0.860 20 30 GCEDHM CO[C@H](C)[C@@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000568412679 530559465 /nfs/dbraw/zinc/55/94/65/530559465.db2.gz FMJLCZNXDAIZDZ-QJPTWQEYSA-N -1 3 375.472 0.579 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)ccc1F ZINC000282461419 530559768 /nfs/dbraw/zinc/55/97/68/530559768.db2.gz KSNJNYPITYSWPK-GFCCVEGCSA-N -1 3 390.458 0.549 20 30 GCEDHM C=C[C@H](CO)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000290275555 530564092 /nfs/dbraw/zinc/56/40/92/530564092.db2.gz UWDRDEDUEXWCKA-MRVPVSSYSA-N -1 3 384.273 0.678 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N)[C@@H]1CCOC1 ZINC000568882429 530564541 /nfs/dbraw/zinc/56/45/41/530564541.db2.gz XSNJLOPZBJUFCJ-YNEHKIRRSA-N -1 3 387.483 0.580 20 30 GCEDHM C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)cc1F ZINC000293293304 530566479 /nfs/dbraw/zinc/56/64/79/530566479.db2.gz ZADLRKGSSFCKBE-UHFFFAOYSA-N -1 3 379.431 0.800 20 30 GCEDHM CC(C)[C@@H](CO)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C#N ZINC000569120851 530566855 /nfs/dbraw/zinc/56/68/55/530566855.db2.gz TXBGEJZATLZNPA-QWHCGFSZSA-N -1 3 389.499 0.514 20 30 GCEDHM CC(C)[C@@H](CO)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C#N ZINC000569120850 530567124 /nfs/dbraw/zinc/56/71/24/530567124.db2.gz TXBGEJZATLZNPA-CHWSQXEVSA-N -1 3 389.499 0.514 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@@H](C)O1 ZINC000573104840 530575887 /nfs/dbraw/zinc/57/58/87/530575887.db2.gz UOAZVNHRBXHCNI-YNEHKIRRSA-N -1 3 387.483 0.723 20 30 GCEDHM CN(C)C1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C(C)(C)C#N)C1 ZINC000573386774 530579570 /nfs/dbraw/zinc/57/95/70/530579570.db2.gz ODABEZPIJZXIHT-UHFFFAOYSA-N -1 3 386.499 0.202 20 30 GCEDHM C=CCC[C@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)OCC ZINC000452002647 530595682 /nfs/dbraw/zinc/59/56/82/530595682.db2.gz YAEGUWMOVAUJEK-LBPRGKRZSA-N -1 3 376.456 0.661 20 30 GCEDHM CN(C(C)(C)C#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC(C)(C)O ZINC000519610729 530598544 /nfs/dbraw/zinc/59/85/44/530598544.db2.gz KNCALULTCBOJRZ-UHFFFAOYSA-N -1 3 389.499 0.658 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCC1(O)CCCCC1 ZINC000575816774 530601749 /nfs/dbraw/zinc/60/17/49/530601749.db2.gz WORKPVATKIWWPF-UHFFFAOYSA-N -1 3 387.483 0.462 20 30 GCEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCC[C@H]1O ZINC000577077796 530615854 /nfs/dbraw/zinc/61/58/54/530615854.db2.gz PEXIHGUPMXFBJR-VXGBXAGGSA-N -1 3 387.483 0.459 20 30 GCEDHM CO[C@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C(C)(C)C#N)C1 ZINC000576718040 530611867 /nfs/dbraw/zinc/61/18/67/530611867.db2.gz PALBAFJOBUHZAC-LBPRGKRZSA-N -1 3 387.483 0.676 20 30 GCEDHM CCC1(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)COC1 ZINC000573862997 530584308 /nfs/dbraw/zinc/58/43/08/530584308.db2.gz FLQUNUSTDRKLAY-UHFFFAOYSA-N -1 3 387.483 0.536 20 30 GCEDHM CCOC(=O)[C@@](C)(O)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000588129049 530623220 /nfs/dbraw/zinc/62/32/20/530623220.db2.gz ZNXCDXPKQYSXHC-ZDUSSCGKSA-N -1 3 391.243 0.913 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H]1CCCOC1 ZINC000349444575 530636046 /nfs/dbraw/zinc/63/60/46/530636046.db2.gz APMIWOCVJCBDPH-STQMWFEESA-N -1 3 387.483 0.676 20 30 GCEDHM CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CO[C@H](C)C1 ZINC000577124628 530616709 /nfs/dbraw/zinc/61/67/09/530616709.db2.gz GTTHYFOFGSZNPK-OLZOCXBDSA-N -1 3 387.483 0.676 20 30 GCEDHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)NCC1(C#N)CCC1 ZINC000349539037 530681166 /nfs/dbraw/zinc/68/11/66/530681166.db2.gz HQLDOJZBOWQAOW-UHFFFAOYSA-N -1 3 389.503 0.772 20 30 GCEDHM CN(CCO)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000349471987 530645507 /nfs/dbraw/zinc/64/55/07/530645507.db2.gz PDJLNYMPQVWDLJ-CQSZACIVSA-N -1 3 389.499 0.516 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CCO ZINC000349475902 530647086 /nfs/dbraw/zinc/64/70/86/530647086.db2.gz YQFZTFQDFYFDJB-LBPRGKRZSA-N -1 3 375.472 0.126 20 30 GCEDHM CC[C@H](CO)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000349476639 530647270 /nfs/dbraw/zinc/64/72/70/530647270.db2.gz CKCOLBOIFXYVON-NWDGAFQWSA-N -1 3 375.472 0.268 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@](C)(O)CC1 ZINC000349478795 530648308 /nfs/dbraw/zinc/64/83/08/530648308.db2.gz SPGFUAGJTMZNNP-CABCVRRESA-N -1 3 395.547 0.411 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CCO)C1CCC1 ZINC000349479766 530648696 /nfs/dbraw/zinc/64/86/96/530648696.db2.gz JRKFCSMLPOHYFI-LBPRGKRZSA-N -1 3 387.483 0.412 20 30 GCEDHM CCN(CC(C)(C)O)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349480840 530649593 /nfs/dbraw/zinc/64/95/93/530649593.db2.gz LMRYTNSXRKSZEZ-UHFFFAOYSA-N -1 3 375.472 0.270 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C1CC1)C1COC1 ZINC000349483088 530650965 /nfs/dbraw/zinc/65/09/65/530650965.db2.gz UZSXZHACGFICQY-NSHDSACASA-N -1 3 385.467 0.429 20 30 GCEDHM C[C@@H](N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N)C(C)(C)O ZINC000349483879 530651481 /nfs/dbraw/zinc/65/14/81/530651481.db2.gz XDIGITVQOXHNSY-LLVKDONJSA-N -1 3 375.472 0.268 20 30 GCEDHM C[C@H](O)C[C@@H]1CCCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349485247 530651959 /nfs/dbraw/zinc/65/19/59/530651959.db2.gz ZYPWYQBZMWVYEM-STQMWFEESA-N -1 3 387.483 0.412 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H](C)C1 ZINC000349509628 530665619 /nfs/dbraw/zinc/66/56/19/530665619.db2.gz YAGAIVRPRGNGHO-ZIAGYGMSSA-N -1 3 397.588 0.859 20 30 GCEDHM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)CCCO1 ZINC000349527798 530673462 /nfs/dbraw/zinc/67/34/62/530673462.db2.gz WNXHVKJINXNZQK-DZGCQCFKSA-N -1 3 393.531 0.429 20 30 GCEDHM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-][C@H](C#N)C(C)(C)C)CCCO1 ZINC000349527383 530673859 /nfs/dbraw/zinc/67/38/59/530673859.db2.gz VTSIPPFCAUTJHG-UONOGXRCSA-N -1 3 395.547 0.675 20 30 GCEDHM CN([C@@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000349529476 530674274 /nfs/dbraw/zinc/67/42/74/530674274.db2.gz ZWAZDBMUEMZGDJ-CQSZACIVSA-N -1 3 393.531 0.573 20 30 GCEDHM C[C@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1ccc2c(n1)CCC2 ZINC000349575925 530701651 /nfs/dbraw/zinc/70/16/51/530701651.db2.gz QAWJBHIHLDQYBN-GFCCVEGCSA-N -1 3 386.499 0.781 20 30 GCEDHM N#C[C@H]1CC[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ncccc2F)C1 ZINC000349579036 530702699 /nfs/dbraw/zinc/70/26/99/530702699.db2.gz XRYUUIBJFIVGPP-NWDGAFQWSA-N -1 3 390.462 0.964 20 30 GCEDHM C[C@@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1Cl ZINC000349579577 530703615 /nfs/dbraw/zinc/70/36/15/530703615.db2.gz YQPXMLPZKYFENA-JTQLQIEISA-N -1 3 380.879 0.946 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](C)O ZINC000579253505 530740903 /nfs/dbraw/zinc/74/09/03/530740903.db2.gz VUCFKFHKINMRJT-VXGBXAGGSA-N -1 3 375.472 0.172 20 30 GCEDHM C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000579612970 530744882 /nfs/dbraw/zinc/74/48/82/530744882.db2.gz CKLZMGCYFAZDIF-OLZOCXBDSA-N -1 3 385.467 0.500 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CC[C@H](O)CC1 ZINC000349625107 530723887 /nfs/dbraw/zinc/72/38/87/530723887.db2.gz ZCSGBFWPSDPVLI-YDHLFZDLSA-N -1 3 393.531 0.211 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC(C)(C)O ZINC000578380182 530730566 /nfs/dbraw/zinc/73/05/66/530730566.db2.gz VOVNJUACJLUCLP-LLVKDONJSA-N -1 3 375.472 0.268 20 30 GCEDHM N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1(C(F)F)CC1 ZINC000578453300 530731699 /nfs/dbraw/zinc/73/16/99/530731699.db2.gz NPBVTSXHYPFRAV-UHFFFAOYSA-N -1 3 379.410 0.812 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1C[C@H](O)C1(C)C ZINC000578549770 530732698 /nfs/dbraw/zinc/73/26/98/530732698.db2.gz ZIKWPUGSOKLXSR-KBPBESRZSA-N -1 3 387.483 0.268 20 30 GCEDHM N#CCNC(=O)CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000580020170 530750217 /nfs/dbraw/zinc/75/02/17/530750217.db2.gz FKVDTZCGUGNTIQ-UHFFFAOYSA-N -1 3 379.225 0.028 20 30 GCEDHM C[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CS1 ZINC000581559341 530759715 /nfs/dbraw/zinc/75/97/15/530759715.db2.gz VVCXNCOAKJSVOW-GHMZBOCLSA-N -1 3 375.497 0.661 20 30 GCEDHM CC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N)[C@@H](C)O ZINC000581834897 530763687 /nfs/dbraw/zinc/76/36/87/530763687.db2.gz DULYHWZPOMIOOA-QJPTWQEYSA-N -1 3 375.472 0.315 20 30 GCEDHM N#Cc1ccc(C(=O)CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1 ZINC000552317138 530771548 /nfs/dbraw/zinc/77/15/48/530771548.db2.gz DUFJRGNIAOBYHP-UHFFFAOYSA-N -1 3 391.181 0.582 20 30 GCEDHM CC1CC([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(CC#N)CC#N)C1 ZINC000582014515 530771763 /nfs/dbraw/zinc/77/17/63/530771763.db2.gz VBFHEDVXFHXARU-UHFFFAOYSA-N -1 3 382.467 0.801 20 30 GCEDHM C[C@@H](C[C@H]1CCCO1)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000582371094 530776743 /nfs/dbraw/zinc/77/67/43/530776743.db2.gz LOGALLAXMXEUMI-QWHCGFSZSA-N -1 3 387.483 0.724 20 30 GCEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)C(=O)OC ZINC000481595525 530779308 /nfs/dbraw/zinc/77/93/08/530779308.db2.gz HJNGJJXZXIPAQE-LBPRGKRZSA-N -1 3 376.456 0.407 20 30 GCEDHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2CC[C@@](F)(C#N)C2)s1 ZINC000615825916 530781333 /nfs/dbraw/zinc/78/13/33/530781333.db2.gz OQJUWZLWMYEMMS-CQSZACIVSA-N -1 3 388.446 0.127 20 30 GCEDHM CS(=O)(=O)N[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000445029707 530801713 /nfs/dbraw/zinc/80/17/13/530801713.db2.gz CJLBAHNJLASRHV-CHWSQXEVSA-N -1 3 375.447 0.836 20 30 GCEDHM C[C@@H](C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)n1cnc(C#N)n1 ZINC000409860930 530829491 /nfs/dbraw/zinc/82/94/91/530829491.db2.gz XXPOEGBIPGVCFC-QMMMGPOBSA-N -1 3 388.862 0.520 20 30 GCEDHM CS(=O)(=O)N1CC[C@H](C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000513109797 530822591 /nfs/dbraw/zinc/82/25/91/530822591.db2.gz FWOUGTLPMICYLZ-SNVBAGLBSA-N -1 3 388.427 0.026 20 30 GCEDHM Cc1nc(S(=O)(=O)[N-]CC(=O)NCc2ccc(C#N)c(Cl)c2)cn1C ZINC000619775256 530823315 /nfs/dbraw/zinc/82/33/15/530823315.db2.gz YCKVBIPXMSHBHN-UHFFFAOYSA-N -1 3 381.845 0.848 20 30 GCEDHM CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)C1 ZINC000582677097 530846398 /nfs/dbraw/zinc/84/63/98/530846398.db2.gz LQHFXIYWNKJAJH-OLZOCXBDSA-N -1 3 387.483 0.676 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)C(C)(C)C1 ZINC000349459889 530874326 /nfs/dbraw/zinc/87/43/26/530874326.db2.gz HYRGROVBIRJJDN-WFASDCNBSA-N -1 3 393.531 0.021 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N)[C@H]1CCCOC1 ZINC000582796631 530852686 /nfs/dbraw/zinc/85/26/86/530852686.db2.gz HNMCMMBAPIZHDV-OLZOCXBDSA-N -1 3 387.483 0.582 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCC(C)(C)O ZINC000583214495 530865571 /nfs/dbraw/zinc/86/55/71/530865571.db2.gz QIRXLMLOJWNLJD-GFCCVEGCSA-N -1 3 389.499 0.658 20 30 GCEDHM CC1(C)C[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CCO1 ZINC000583763846 530871583 /nfs/dbraw/zinc/87/15/83/530871583.db2.gz MECSVTURTAETDD-LBPRGKRZSA-N -1 3 387.483 0.724 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]1C(F)F ZINC000349451305 530873397 /nfs/dbraw/zinc/87/33/97/530873397.db2.gz MWEKFPPIRJEVKF-SNVBAGLBSA-N -1 3 379.410 0.907 20 30 GCEDHM CN(CC[N-]S(=O)(=O)c1cccnc1C#N)S(=O)(=O)c1cccs1 ZINC000428372581 530897882 /nfs/dbraw/zinc/89/78/82/530897882.db2.gz LTGCCNAEAARKIQ-UHFFFAOYSA-N -1 3 386.480 0.614 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC000349547010 530902859 /nfs/dbraw/zinc/90/28/59/530902859.db2.gz UMBOPMJZVOADPU-ZOWXZIJZSA-N -1 3 393.531 0.067 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@]23NC(=O)NC3=O)c(Cl)c1 ZINC000378604888 530903747 /nfs/dbraw/zinc/90/37/47/530903747.db2.gz IEKDCHPYQRYGDX-BMIGLBTASA-N -1 3 382.829 0.868 20 30 GCEDHM N#CC1([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)CCCCC1 ZINC000349550565 530903905 /nfs/dbraw/zinc/90/39/05/530903905.db2.gz IVDBADMUOGQQCO-CYBMUJFWSA-N -1 3 379.504 0.231 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CC[C@H](F)C1 ZINC000349560164 530906273 /nfs/dbraw/zinc/90/62/73/530906273.db2.gz YGLYECKGFVPZEU-OUCADQQQSA-N -1 3 381.495 0.798 20 30 GCEDHM N#C[C@@]1(F)CCN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2cn[nH]c2)C1 ZINC000349599773 530909732 /nfs/dbraw/zinc/90/97/32/530909732.db2.gz BPPJBVNYSWYSHC-LBPRGKRZSA-N -1 3 379.439 0.199 20 30 GCEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000508068208 530909862 /nfs/dbraw/zinc/90/98/62/530909862.db2.gz NEZIWYOFAGQMTO-OAHLLOKOSA-N -1 3 387.483 0.724 20 30 GCEDHM COC[C@@H]1CCCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000349478010 530876157 /nfs/dbraw/zinc/87/61/57/530876157.db2.gz GIOADMFXIRCFLJ-STQMWFEESA-N -1 3 387.483 0.676 20 30 GCEDHM C[C@H](CCO)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349479513 530876272 /nfs/dbraw/zinc/87/62/72/530876272.db2.gz JKYPGIGVSZHMGA-GFCCVEGCSA-N -1 3 387.483 0.412 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](CCCO)C1 ZINC000349479368 530876478 /nfs/dbraw/zinc/87/64/78/530876478.db2.gz IWYLVPMXQTVEII-ZDUSSCGKSA-N -1 3 387.483 0.272 20 30 GCEDHM CN(C[C@@H]1CCCN1C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349478354 530876619 /nfs/dbraw/zinc/87/66/19/530876619.db2.gz GQYPDTURWCPJDL-ZDUSSCGKSA-N -1 3 386.499 0.203 20 30 GCEDHM COC[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-][C@@H](C)C#N)C1 ZINC000349484108 530878250 /nfs/dbraw/zinc/87/82/50/530878250.db2.gz XHNIHYFZAPNPDK-QWHCGFSZSA-N -1 3 387.483 0.534 20 30 GCEDHM N#CC1([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](CO)C2)CCCCC1 ZINC000349528880 530879757 /nfs/dbraw/zinc/87/97/57/530879757.db2.gz VGCPPCBKUCURJA-AWEZNQCLSA-N -1 3 393.531 0.166 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H](O)CC1 ZINC000349529781 530881231 /nfs/dbraw/zinc/88/12/31/530881231.db2.gz WRNTUQDBHQVAMQ-ZFWWWQNUSA-N -1 3 393.531 0.165 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@](F)(C#N)C1 ZINC000349502207 530882881 /nfs/dbraw/zinc/88/28/81/530882881.db2.gz RBKCSUONMABGHN-QWHCGFSZSA-N -1 3 380.467 0.111 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@](F)(C#N)C1 ZINC000349502203 530882891 /nfs/dbraw/zinc/88/28/91/530882891.db2.gz RBKCSUONMABGHN-CHWSQXEVSA-N -1 3 380.467 0.111 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]1CF ZINC000349502395 530883031 /nfs/dbraw/zinc/88/30/31/530883031.db2.gz UMFVWYYVSIASIO-GXTWGEPZSA-N -1 3 381.495 0.752 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000349500497 530883137 /nfs/dbraw/zinc/88/31/37/530883137.db2.gz DZWMXXCUWBLSJP-ZNMIVQPWSA-N -1 3 394.563 0.198 20 30 GCEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)C1 ZINC000349508668 530885454 /nfs/dbraw/zinc/88/54/54/530885454.db2.gz XFBSQLLGFNNJQM-UKRRQHHQSA-N -1 3 388.515 0.554 20 30 GCEDHM CO[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]C2(C#N)CCCCC2)C1 ZINC000349510670 530886061 /nfs/dbraw/zinc/88/60/61/530886061.db2.gz PGGYFHZOUMJMLC-AWEZNQCLSA-N -1 3 393.531 0.573 20 30 GCEDHM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]C2(C#N)CCCCC2)C[C@H]1O ZINC000349517977 530888242 /nfs/dbraw/zinc/88/82/42/530888242.db2.gz GITNLPVCDVFKTH-UONOGXRCSA-N -1 3 393.531 0.165 20 30 GCEDHM C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000349465173 530889696 /nfs/dbraw/zinc/88/96/96/530889696.db2.gz OUAFTYZVQCLSMY-JHJVBQTASA-N -1 3 381.520 0.019 20 30 GCEDHM C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000349465171 530889787 /nfs/dbraw/zinc/88/97/87/530889787.db2.gz OUAFTYZVQCLSMY-FRRDWIJNSA-N -1 3 381.520 0.019 20 30 GCEDHM CS(=O)(=O)N1CCC([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000443083583 530890245 /nfs/dbraw/zinc/89/02/45/530890245.db2.gz DFSSXDDWDDOIDP-UHFFFAOYSA-N -1 3 377.875 0.914 20 30 GCEDHM C[C@@H]1SCC[C@@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349468700 530891056 /nfs/dbraw/zinc/89/10/56/530891056.db2.gz JELVCFVCHFPCAS-QWRGUYRKSA-N -1 3 375.497 0.661 20 30 GCEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(C)(C#N)C1 ZINC000349469545 530891120 /nfs/dbraw/zinc/89/11/20/530891120.db2.gz BEXSVTVSGBNKIW-GFCCVEGCSA-N -1 3 376.504 0.409 20 30 GCEDHM CN(CCN1CCCC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349470335 530891233 /nfs/dbraw/zinc/89/12/33/530891233.db2.gz MBXUIYJEPMGJQR-UHFFFAOYSA-N -1 3 386.499 0.205 20 30 GCEDHM CN(C)S(=O)(=O)c1cccc(C[N-]S(=O)(=O)c2cccnc2C#N)c1 ZINC000428391494 530897527 /nfs/dbraw/zinc/89/75/27/530897527.db2.gz GTIPIKVTQANPDN-UHFFFAOYSA-N -1 3 380.451 0.682 20 30 GCEDHM N#Cc1ncccc1S(=O)(=O)[N-]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000428404152 530897791 /nfs/dbraw/zinc/89/77/91/530897791.db2.gz QEVMKIRYHWMOER-SNVBAGLBSA-N -1 3 387.464 0.128 20 30 GCEDHM N#CCNC(=O)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000511019109 530932440 /nfs/dbraw/zinc/93/24/40/530932440.db2.gz UWPZNAHPARSKPR-UHFFFAOYSA-N -1 3 377.176 0.275 20 30 GCEDHM N#CCNC(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000511037425 530932542 /nfs/dbraw/zinc/93/25/42/530932542.db2.gz YWMFUCNLAUYRCQ-NSHDSACASA-N -1 3 387.845 0.673 20 30 GCEDHM C[C@@H](CC#N)N(C)S(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000509262120 530917097 /nfs/dbraw/zinc/91/70/97/530917097.db2.gz FBGGRLBTBVRLTB-JTQLQIEISA-N -1 3 396.441 0.311 20 30 GCEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000269786928 530928086 /nfs/dbraw/zinc/92/80/86/530928086.db2.gz JCNWOXQAWSNWJO-BONVTDFDSA-N -1 3 382.829 0.868 20 30 GCEDHM CS(=O)(=O)N1CC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000503704349 530951551 /nfs/dbraw/zinc/95/15/51/530951551.db2.gz NKRJZYAXBDYPFX-NSHDSACASA-N -1 3 377.875 0.771 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC(=O)C(C)(C)C ZINC000516878461 530956444 /nfs/dbraw/zinc/95/64/44/530956444.db2.gz LFTCZFWPXVOVTR-UHFFFAOYSA-N -1 3 387.483 0.724 20 30 GCEDHM C#CCSCC[N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC ZINC000269817411 531005263 /nfs/dbraw/zinc/00/52/63/531005263.db2.gz VNEMLCOSXYWCOV-UHFFFAOYSA-N -1 3 377.465 0.966 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)CCS(C)(=O)=O)ccc1F ZINC000263953629 531003528 /nfs/dbraw/zinc/00/35/28/531003528.db2.gz OLMQWLSFDRNAAH-UHFFFAOYSA-N -1 3 378.447 0.407 20 30 GCEDHM C=CC[C@H](CO)[N-]S(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 ZINC000542693706 531068054 /nfs/dbraw/zinc/06/80/54/531068054.db2.gz SISJBOHRSSQKHV-LLVKDONJSA-N -1 3 382.529 0.445 20 30 GCEDHM CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc2c(n1)CCC2 ZINC000349455780 531051135 /nfs/dbraw/zinc/05/11/35/531051135.db2.gz IJEAWQFCJGLYQU-UHFFFAOYSA-N -1 3 385.511 0.987 20 30 GCEDHM CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc2cc[nH]c2cn1 ZINC000349458095 531053203 /nfs/dbraw/zinc/05/32/03/531053203.db2.gz LFDRSBSUSVOBPF-UHFFFAOYSA-N -1 3 384.483 0.980 20 30 GCEDHM CC#CC[C@H](CO)NC(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000649194247 531075904 /nfs/dbraw/zinc/07/59/04/531075904.db2.gz YBBUOSOGLLVBPA-LLVKDONJSA-N -1 3 378.372 0.874 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCC1(C#N)CC1 ZINC000565841931 531191014 /nfs/dbraw/zinc/19/10/14/531191014.db2.gz ATUPNKOYKNRGCD-LBPRGKRZSA-N -1 3 382.467 0.849 20 30 GCEDHM C[C@@H](CO)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000566020127 531193275 /nfs/dbraw/zinc/19/32/75/531193275.db2.gz FBUWPRSFGJIYHM-NHYWBVRUSA-N -1 3 387.483 0.316 20 30 GCEDHM CC[C@@](C)(C#N)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736314084 598867018 /nfs/dbraw/zinc/86/70/18/598867018.db2.gz QQSHEZRGZVAZED-UGSOOPFHSA-N -1 3 396.411 0.880 20 30 GCEDHM CC[C@@](C)(C#N)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736314084 598867020 /nfs/dbraw/zinc/86/70/20/598867020.db2.gz QQSHEZRGZVAZED-UGSOOPFHSA-N -1 3 396.411 0.880 20 30 GCEDHM CC(C)[C@@H](C#N)NC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000735689824 598868170 /nfs/dbraw/zinc/86/81/70/598868170.db2.gz BYFSWKCCDIQNCR-ZIAGYGMSSA-N -1 3 396.411 0.736 20 30 GCEDHM CC(C)[C@@H](C#N)NC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735689824 598868171 /nfs/dbraw/zinc/86/81/71/598868171.db2.gz BYFSWKCCDIQNCR-ZIAGYGMSSA-N -1 3 396.411 0.736 20 30 GCEDHM CC(C)[C@H](C#N)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000735689821 598868174 /nfs/dbraw/zinc/86/81/74/598868174.db2.gz BYFSWKCCDIQNCR-KBPBESRZSA-N -1 3 396.411 0.736 20 30 GCEDHM CC(C)[C@H](C#N)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735689821 598868175 /nfs/dbraw/zinc/86/81/75/598868175.db2.gz BYFSWKCCDIQNCR-KBPBESRZSA-N -1 3 396.411 0.736 20 30 GCEDHM N#CCCCOC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000737687700 598878508 /nfs/dbraw/zinc/87/85/08/598878508.db2.gz LBEWPHPXGHOJQB-ZDUSSCGKSA-N -1 3 383.368 0.919 20 30 GCEDHM N#CCCCOC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000737687700 598878509 /nfs/dbraw/zinc/87/85/09/598878509.db2.gz LBEWPHPXGHOJQB-ZDUSSCGKSA-N -1 3 383.368 0.919 20 30 GCEDHM C[C@@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736104616 598894526 /nfs/dbraw/zinc/89/45/26/598894526.db2.gz HRZAJKNZBJRQFE-DUUUWJQVSA-N -1 3 381.396 0.960 20 30 GCEDHM COc1nc(N)nc(N2CCCC2)c1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000821910880 607252694 /nfs/dbraw/zinc/25/26/94/607252694.db2.gz JMCNBMKOXYNHOK-UHFFFAOYSA-N -1 3 394.443 0.971 20 30 GCEDHM COc1nc(N)nc(N2CCCC2)c1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821910880 607252695 /nfs/dbraw/zinc/25/26/95/607252695.db2.gz JMCNBMKOXYNHOK-UHFFFAOYSA-N -1 3 394.443 0.971 20 30 GCEDHM N#Cc1cc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1-c1nnn[n-]1 ZINC000737708431 598920453 /nfs/dbraw/zinc/92/04/53/598920453.db2.gz FYDAVNSMHIPSMM-OKILXGFUSA-N -1 3 379.380 0.852 20 30 GCEDHM N#Cc1cc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1-c1nn[n-]n1 ZINC000737708431 598920454 /nfs/dbraw/zinc/92/04/54/598920454.db2.gz FYDAVNSMHIPSMM-OKILXGFUSA-N -1 3 379.380 0.852 20 30 GCEDHM N#Cc1ccc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1-c1nnn[n-]1 ZINC000737716677 598925602 /nfs/dbraw/zinc/92/56/02/598925602.db2.gz UDXIIMCRFBBMBO-UHFFFAOYSA-N -1 3 388.347 0.793 20 30 GCEDHM N#Cc1ccc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1-c1nn[n-]n1 ZINC000737716677 598925603 /nfs/dbraw/zinc/92/56/03/598925603.db2.gz UDXIIMCRFBBMBO-UHFFFAOYSA-N -1 3 388.347 0.793 20 30 GCEDHM CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736498461 598927879 /nfs/dbraw/zinc/92/78/79/598927879.db2.gz SMHRWQMIUCRIBY-AWEZNQCLSA-N -1 3 389.441 0.881 20 30 GCEDHM CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736498461 598927880 /nfs/dbraw/zinc/92/78/80/598927880.db2.gz SMHRWQMIUCRIBY-AWEZNQCLSA-N -1 3 389.441 0.881 20 30 GCEDHM N#Cc1cc(C#N)c(S[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)nc1N ZINC000737705883 599011948 /nfs/dbraw/zinc/01/19/48/599011948.db2.gz ROIJWENDPRYSDB-GFCCVEGCSA-N -1 3 377.393 0.906 20 30 GCEDHM N#Cc1cc(C#N)c(S[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)nc1N ZINC000737705883 599011949 /nfs/dbraw/zinc/01/19/49/599011949.db2.gz ROIJWENDPRYSDB-GFCCVEGCSA-N -1 3 377.393 0.906 20 30 GCEDHM N#Cc1ccc([C@@H](Sc2nc(N)c(C#N)cc2-c2nnn[n-]2)C(N)=O)cc1 ZINC000737711717 599012034 /nfs/dbraw/zinc/01/20/34/599012034.db2.gz JTNQVABJMKRXMU-GFCCVEGCSA-N -1 3 377.393 0.906 20 30 GCEDHM N#Cc1ccc([C@@H](Sc2nc(N)c(C#N)cc2-c2nn[n-]n2)C(N)=O)cc1 ZINC000737711717 599012036 /nfs/dbraw/zinc/01/20/36/599012036.db2.gz JTNQVABJMKRXMU-GFCCVEGCSA-N -1 3 377.393 0.906 20 30 GCEDHM C#CCNC(=O)CN1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000735380774 599052690 /nfs/dbraw/zinc/05/26/90/599052690.db2.gz IWBFJQGGHVXKTC-UHFFFAOYSA-N -1 3 394.361 0.152 20 30 GCEDHM C#CCNC(=O)CN1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000735380774 599052693 /nfs/dbraw/zinc/05/26/93/599052693.db2.gz IWBFJQGGHVXKTC-UHFFFAOYSA-N -1 3 394.361 0.152 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737846755 599056966 /nfs/dbraw/zinc/05/69/66/599056966.db2.gz MCBNRJRRBQEELK-ICFOKQHNSA-N -1 3 386.343 0.966 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737846755 599056969 /nfs/dbraw/zinc/05/69/69/599056969.db2.gz MCBNRJRRBQEELK-ICFOKQHNSA-N -1 3 386.343 0.966 20 30 GCEDHM N#Cc1ccnc(N2CCN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000737727247 599068534 /nfs/dbraw/zinc/06/85/34/599068534.db2.gz HWRZJSQAHMZCHH-QGZVFWFLSA-N -1 3 389.423 0.482 20 30 GCEDHM N#Cc1ccnc(N2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737727247 599068536 /nfs/dbraw/zinc/06/85/36/599068536.db2.gz HWRZJSQAHMZCHH-QGZVFWFLSA-N -1 3 389.423 0.482 20 30 GCEDHM N#Cc1ccc([C@@H](OC(=O)COc2ccc(-c3nn[n-]n3)cc2)C(N)=O)cc1 ZINC000737711217 599111788 /nfs/dbraw/zinc/11/17/88/599111788.db2.gz HZDHANFNYZNBBY-MRXNPFEDSA-N -1 3 378.348 0.887 20 30 GCEDHM N#Cc1ccc([C@@H](OC(=O)COc2ccccc2-c2nnn[n-]2)C(N)=O)cc1 ZINC000737712756 599111994 /nfs/dbraw/zinc/11/19/94/599111994.db2.gz SJAGHWTZKJZLCQ-MRXNPFEDSA-N -1 3 378.348 0.887 20 30 GCEDHM N#Cc1ccc([C@@H](OC(=O)COc2ccccc2-c2nn[n-]n2)C(N)=O)cc1 ZINC000737712756 599111995 /nfs/dbraw/zinc/11/19/95/599111995.db2.gz SJAGHWTZKJZLCQ-MRXNPFEDSA-N -1 3 378.348 0.887 20 30 GCEDHM CC(=NNC(=S)NCC(N)=O)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735451392 599148654 /nfs/dbraw/zinc/14/86/54/599148654.db2.gz ZDWMAZJROIPBGW-UHFFFAOYSA-N -1 3 398.456 0.034 20 30 GCEDHM Cc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cccc1-c1nnn[n-]1 ZINC000822044230 607276245 /nfs/dbraw/zinc/27/62/45/607276245.db2.gz JCORFXNVBWBCBR-ZDUSSCGKSA-N -1 3 380.412 0.312 20 30 GCEDHM Cc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cccc1-c1nn[n-]n1 ZINC000822044230 607276246 /nfs/dbraw/zinc/27/62/46/607276246.db2.gz JCORFXNVBWBCBR-ZDUSSCGKSA-N -1 3 380.412 0.312 20 30 GCEDHM C=CCNC(=O)CN1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000735432832 599261793 /nfs/dbraw/zinc/26/17/93/599261793.db2.gz WOCSLHIBTKMZGQ-UHFFFAOYSA-N -1 3 378.440 0.839 20 30 GCEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000821104623 607305216 /nfs/dbraw/zinc/30/52/16/607305216.db2.gz KSWDMCCUCPWRAO-UHFFFAOYSA-N -1 3 380.412 0.552 20 30 GCEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000821104623 607305217 /nfs/dbraw/zinc/30/52/17/607305217.db2.gz KSWDMCCUCPWRAO-UHFFFAOYSA-N -1 3 380.412 0.552 20 30 GCEDHM C[C@H](C#N)COC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000819856318 607323269 /nfs/dbraw/zinc/32/32/69/607323269.db2.gz HZBVSUXLIMFIOU-ZWNOBZJWSA-N -1 3 383.368 0.775 20 30 GCEDHM C[C@H](C#N)COC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000819856318 607323270 /nfs/dbraw/zinc/32/32/70/607323270.db2.gz HZBVSUXLIMFIOU-ZWNOBZJWSA-N -1 3 383.368 0.775 20 30 GCEDHM N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CCN1C1CC1 ZINC000822806252 607339296 /nfs/dbraw/zinc/33/92/96/607339296.db2.gz LNNJABYPKYWTSR-LBPRGKRZSA-N -1 3 384.375 0.143 20 30 GCEDHM N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CCN1C1CC1 ZINC000822806252 607339298 /nfs/dbraw/zinc/33/92/98/607339298.db2.gz LNNJABYPKYWTSR-LBPRGKRZSA-N -1 3 384.375 0.143 20 30 GCEDHM N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)nn1 ZINC000826385240 608391748 /nfs/dbraw/zinc/39/17/48/608391748.db2.gz CPYYUJDHLKMLFU-UHFFFAOYSA-N -1 3 397.424 0.039 20 30 GCEDHM N#CCCN(CCC#N)C(=O)CN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000737685265 598249942 /nfs/dbraw/zinc/24/99/42/598249942.db2.gz BPYSFOZJWXONOT-UHFFFAOYSA-N -1 3 394.443 0.040 20 30 GCEDHM N#CCCN(CCC#N)C(=O)CN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000737685265 598249943 /nfs/dbraw/zinc/24/99/43/598249943.db2.gz BPYSFOZJWXONOT-UHFFFAOYSA-N -1 3 394.443 0.040 20 30 GCEDHM N#Cc1ccc(CSCC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737719286 598293434 /nfs/dbraw/zinc/29/34/34/598293434.db2.gz SFFGVTCPFMVNER-UHFFFAOYSA-N -1 3 384.425 0.994 20 30 GCEDHM N#Cc1ccc(CSCC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737719286 598293435 /nfs/dbraw/zinc/29/34/35/598293435.db2.gz SFFGVTCPFMVNER-UHFFFAOYSA-N -1 3 384.425 0.994 20 30 GCEDHM N#Cc1ccc(CNC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000737710913 598317023 /nfs/dbraw/zinc/31/70/23/598317023.db2.gz DBJIDWCERMLJNX-UHFFFAOYSA-N -1 3 397.345 0.949 20 30 GCEDHM N#Cc1ccc(CNC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000737710913 598317026 /nfs/dbraw/zinc/31/70/26/598317026.db2.gz DBJIDWCERMLJNX-UHFFFAOYSA-N -1 3 397.345 0.949 20 30 GCEDHM CCc1nn(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)c(=O)c(C#N)c1CC ZINC000736705228 598373945 /nfs/dbraw/zinc/37/39/45/598373945.db2.gz DJOFELWGNMDOPC-CYBMUJFWSA-N -1 3 395.423 0.860 20 30 GCEDHM N#C[C@H]1CN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCO1 ZINC000737678792 598374508 /nfs/dbraw/zinc/37/45/08/598374508.db2.gz MHIRKXKYLWVZJV-VIFPVBQESA-N -1 3 393.310 0.158 20 30 GCEDHM N#C[C@H]1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCO1 ZINC000737678792 598374510 /nfs/dbraw/zinc/37/45/10/598374510.db2.gz MHIRKXKYLWVZJV-VIFPVBQESA-N -1 3 393.310 0.158 20 30 GCEDHM C=CCN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000735415926 598382386 /nfs/dbraw/zinc/38/23/86/598382386.db2.gz AWXFLQZZLUGERG-AWEZNQCLSA-N -1 3 376.442 0.480 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735380033 598408326 /nfs/dbraw/zinc/40/83/26/598408326.db2.gz BRWBPKLMLHTESF-INIZCTEOSA-N -1 3 380.456 0.444 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735380033 598408327 /nfs/dbraw/zinc/40/83/27/598408327.db2.gz BRWBPKLMLHTESF-INIZCTEOSA-N -1 3 380.456 0.444 20 30 GCEDHM N#CCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000737694588 598433220 /nfs/dbraw/zinc/43/32/20/598433220.db2.gz CVJSHPQPEBOGCY-UHFFFAOYSA-N -1 3 388.819 0.563 20 30 GCEDHM N#CCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000737694588 598433222 /nfs/dbraw/zinc/43/32/22/598433222.db2.gz CVJSHPQPEBOGCY-UHFFFAOYSA-N -1 3 388.819 0.563 20 30 GCEDHM C#CCN(CCCOc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000735374879 598538837 /nfs/dbraw/zinc/53/88/37/598538837.db2.gz OJCNLRLEIMOLFX-OAHLLOKOSA-N -1 3 375.454 0.758 20 30 GCEDHM C#CCNC(=O)COC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735381063 598556863 /nfs/dbraw/zinc/55/68/63/598556863.db2.gz KVWIARSTQSOSIO-UHFFFAOYSA-N -1 3 381.348 0.945 20 30 GCEDHM N#CCOc1ccc(CC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737695202 598684170 /nfs/dbraw/zinc/68/41/70/598684170.db2.gz KNSBLPLMOGYIAA-UHFFFAOYSA-N -1 3 378.396 0.935 20 30 GCEDHM N#CCOc1ccc(CC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737695202 598684172 /nfs/dbraw/zinc/68/41/72/598684172.db2.gz KNSBLPLMOGYIAA-UHFFFAOYSA-N -1 3 378.396 0.935 20 30 GCEDHM N#CCCCS(=O)(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737686000 598709704 /nfs/dbraw/zinc/70/97/04/598709704.db2.gz GRFFQYWDJPFBKK-UHFFFAOYSA-N -1 3 376.446 0.454 20 30 GCEDHM N#CCCCS(=O)(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737686000 598709706 /nfs/dbraw/zinc/70/97/06/598709706.db2.gz GRFFQYWDJPFBKK-UHFFFAOYSA-N -1 3 376.446 0.454 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CCN1C1CC1 ZINC000737686695 598758389 /nfs/dbraw/zinc/75/83/89/598758389.db2.gz ZJRYJBRDLFUKLA-LLVKDONJSA-N -1 3 393.860 0.881 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CCN1C1CC1 ZINC000737686695 598758391 /nfs/dbraw/zinc/75/83/91/598758391.db2.gz ZJRYJBRDLFUKLA-LLVKDONJSA-N -1 3 393.860 0.881 20 30 GCEDHM N#C[C@@H]1CN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)CCN1C1CC1 ZINC000737680298 598761322 /nfs/dbraw/zinc/76/13/22/598761322.db2.gz ZSFZKACSEQOYNB-CYBMUJFWSA-N -1 3 382.432 0.055 20 30 GCEDHM N#C[C@@H]1CN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)CCN1C1CC1 ZINC000737680298 598761323 /nfs/dbraw/zinc/76/13/23/598761323.db2.gz ZSFZKACSEQOYNB-CYBMUJFWSA-N -1 3 382.432 0.055 20 30 GCEDHM N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000737730158 599401014 /nfs/dbraw/zinc/40/10/14/599401014.db2.gz GWVUARSYUKGHHL-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737730158 599401017 /nfs/dbraw/zinc/40/10/17/599401017.db2.gz GWVUARSYUKGHHL-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM C#CCNC(=O)C1CCN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819702349 599451562 /nfs/dbraw/zinc/45/15/62/599451562.db2.gz YORVVUZUQRRKDN-UHFFFAOYSA-N -1 3 397.439 0.417 20 30 GCEDHM S=C(NCCc1ccccn1)NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000738402078 599460010 /nfs/dbraw/zinc/46/00/10/599460010.db2.gz VWCHYEAFEWXWBB-UHFFFAOYSA-N -1 3 392.452 0.950 20 30 GCEDHM S=C(NCCc1ccccn1)NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000738402078 599460013 /nfs/dbraw/zinc/46/00/13/599460013.db2.gz VWCHYEAFEWXWBB-UHFFFAOYSA-N -1 3 392.452 0.950 20 30 GCEDHM N#Cc1ccc(F)c(CNC(=O)C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822825640 599555418 /nfs/dbraw/zinc/55/54/18/599555418.db2.gz JPLLDBHZKAXGEU-UHFFFAOYSA-N -1 3 397.345 0.949 20 30 GCEDHM N#Cc1ccc(F)c(CNC(=O)C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822825640 599555420 /nfs/dbraw/zinc/55/54/20/599555420.db2.gz JPLLDBHZKAXGEU-UHFFFAOYSA-N -1 3 397.345 0.949 20 30 GCEDHM Cc1cccc(NC(=O)C(=O)NCCNc2ncccc2C#N)c1-c1nnn[n-]1 ZINC000822319653 599603349 /nfs/dbraw/zinc/60/33/49/599603349.db2.gz VZLXAQJQFBNNQS-UHFFFAOYSA-N -1 3 391.395 0.609 20 30 GCEDHM Cc1cccc(NC(=O)C(=O)NCCNc2ncccc2C#N)c1-c1nn[n-]n1 ZINC000822319653 599603351 /nfs/dbraw/zinc/60/33/51/599603351.db2.gz VZLXAQJQFBNNQS-UHFFFAOYSA-N -1 3 391.395 0.609 20 30 GCEDHM C#CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000819701289 599636988 /nfs/dbraw/zinc/63/69/88/599636988.db2.gz BOFPJOVWGWYGPD-CQSZACIVSA-N -1 3 399.436 0.539 20 30 GCEDHM C#CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000819701289 599636989 /nfs/dbraw/zinc/63/69/89/599636989.db2.gz BOFPJOVWGWYGPD-CQSZACIVSA-N -1 3 399.436 0.539 20 30 GCEDHM C#CCN(CC#CC)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000819697927 599673792 /nfs/dbraw/zinc/67/37/92/599673792.db2.gz OOAHTHGGWOZGNW-UHFFFAOYSA-N -1 3 378.440 0.899 20 30 GCEDHM C#CCN(CC#CC)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000819697927 599673793 /nfs/dbraw/zinc/67/37/93/599673793.db2.gz OOAHTHGGWOZGNW-UHFFFAOYSA-N -1 3 378.440 0.899 20 30 GCEDHM C[C@@H](NC(=O)NCCNC(=O)C1N=CC=CC1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820365485 599674683 /nfs/dbraw/zinc/67/46/83/599674683.db2.gz JZRYBTYHETZREI-PTGFTAGUSA-N -1 3 396.411 0.753 20 30 GCEDHM C#CCNC(=O)C1CCN(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)CC1 ZINC000823850125 607571964 /nfs/dbraw/zinc/57/19/64/607571964.db2.gz JZZPUSRVKFVKSW-UHFFFAOYSA-N -1 3 397.439 0.546 20 30 GCEDHM C#CCNC(=O)C1CCN(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)CC1 ZINC000823850125 607571965 /nfs/dbraw/zinc/57/19/65/607571965.db2.gz JZZPUSRVKFVKSW-UHFFFAOYSA-N -1 3 397.439 0.546 20 30 GCEDHM N#Cc1cc(F)ccc1S(=O)(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000826384513 607587579 /nfs/dbraw/zinc/58/75/79/607587579.db2.gz YQLKKXJBJRUMJB-UHFFFAOYSA-N -1 3 388.388 0.663 20 30 GCEDHM N#Cc1cc(F)ccc1S(=O)(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000826384513 607587581 /nfs/dbraw/zinc/58/75/81/607587581.db2.gz YQLKKXJBJRUMJB-UHFFFAOYSA-N -1 3 388.388 0.663 20 30 GCEDHM C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000823903840 607593624 /nfs/dbraw/zinc/59/36/24/607593624.db2.gz LUTOJFWDHNWURW-LBPRGKRZSA-N -1 3 397.482 0.539 20 30 GCEDHM C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000823903840 607593625 /nfs/dbraw/zinc/59/36/25/607593625.db2.gz LUTOJFWDHNWURW-LBPRGKRZSA-N -1 3 397.482 0.539 20 30 GCEDHM C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000823903625 607593712 /nfs/dbraw/zinc/59/37/12/607593712.db2.gz FDQGNAVHDIUJMX-NSHDSACASA-N -1 3 383.455 0.231 20 30 GCEDHM C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000823903625 607593714 /nfs/dbraw/zinc/59/37/14/607593714.db2.gz FDQGNAVHDIUJMX-NSHDSACASA-N -1 3 383.455 0.231 20 30 GCEDHM N#Cc1cc(COC(=O)CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)ccn1 ZINC000826383916 607599634 /nfs/dbraw/zinc/59/96/34/607599634.db2.gz XKZOCPHHHJIGCY-UHFFFAOYSA-N -1 3 399.392 0.155 20 30 GCEDHM N#Cc1cc(COC(=O)CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)ccn1 ZINC000826383916 607599635 /nfs/dbraw/zinc/59/96/35/607599635.db2.gz XKZOCPHHHJIGCY-UHFFFAOYSA-N -1 3 399.392 0.155 20 30 GCEDHM N#CCN1CCC(CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000826382350 607672685 /nfs/dbraw/zinc/67/26/85/607672685.db2.gz ZVMFYQMSMFRQMM-UHFFFAOYSA-N -1 3 379.421 0.520 20 30 GCEDHM CC(C)[C@](C)(CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824193378 607739368 /nfs/dbraw/zinc/73/93/68/607739368.db2.gz YFUDIYQFIVNMPH-SFHVURJKSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)[C@](C)(CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824193378 607739369 /nfs/dbraw/zinc/73/93/69/607739369.db2.gz YFUDIYQFIVNMPH-SFHVURJKSA-N -1 3 395.427 0.969 20 30 GCEDHM N#Cc1ccc(C(=O)N2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)[nH]1 ZINC000826384383 607743147 /nfs/dbraw/zinc/74/31/47/607743147.db2.gz SNISXNNKUMFERY-UHFFFAOYSA-N -1 3 379.384 0.383 20 30 GCEDHM N#Cc1ccc(C(=O)N2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)[nH]1 ZINC000826384383 607743148 /nfs/dbraw/zinc/74/31/48/607743148.db2.gz SNISXNNKUMFERY-UHFFFAOYSA-N -1 3 379.384 0.383 20 30 GCEDHM N#Cc1ccc(C(=O)N[C@H]2CCC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[nH]1 ZINC000826384492 607742978 /nfs/dbraw/zinc/74/29/78/607742978.db2.gz XSZAZZXLAQZICJ-JQWIXIFHSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1ccc(C(=O)N[C@H]2CCC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[nH]1 ZINC000826384492 607742979 /nfs/dbraw/zinc/74/29/79/607742979.db2.gz XSZAZZXLAQZICJ-JQWIXIFHSA-N -1 3 393.411 0.723 20 30 GCEDHM N#C[C@H](OC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)C1CC1 ZINC000822801893 606169534 /nfs/dbraw/zinc/16/95/34/606169534.db2.gz QJRZRPIHTFUGLI-KBPBESRZSA-N -1 3 395.379 0.917 20 30 GCEDHM N#C[C@H](OC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1CC1 ZINC000822801893 606169536 /nfs/dbraw/zinc/16/95/36/606169536.db2.gz QJRZRPIHTFUGLI-KBPBESRZSA-N -1 3 395.379 0.917 20 30 GCEDHM Cn1cc(C#N)c(NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)n1 ZINC000822665485 606172385 /nfs/dbraw/zinc/17/23/85/606172385.db2.gz QUJQLOQASHNMAU-UHFFFAOYSA-N -1 3 379.388 0.221 20 30 GCEDHM Cn1cc(C#N)c(NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)n1 ZINC000822665485 606172386 /nfs/dbraw/zinc/17/23/86/606172386.db2.gz QUJQLOQASHNMAU-UHFFFAOYSA-N -1 3 379.388 0.221 20 30 GCEDHM CC[C@@H](CNC(=O)c1cc(C#N)cn1C)NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820908945 606286923 /nfs/dbraw/zinc/28/69/23/606286923.db2.gz SARAOMOKGVLCAT-ZDUSSCGKSA-N -1 3 395.427 0.354 20 30 GCEDHM CC[C@@H](CNC(=O)c1cc(C#N)cn1C)NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820908945 606286924 /nfs/dbraw/zinc/28/69/24/606286924.db2.gz SARAOMOKGVLCAT-ZDUSSCGKSA-N -1 3 395.427 0.354 20 30 GCEDHM CCC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821023101 606318055 /nfs/dbraw/zinc/31/80/55/606318055.db2.gz WMRHWEZKSVHARS-GFCCVEGCSA-N -1 3 381.400 0.723 20 30 GCEDHM CCC[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821023101 606318057 /nfs/dbraw/zinc/31/80/57/606318057.db2.gz WMRHWEZKSVHARS-GFCCVEGCSA-N -1 3 381.400 0.723 20 30 GCEDHM CC(C)C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820055304 606321366 /nfs/dbraw/zinc/32/13/66/606321366.db2.gz IBKCLJZRJSQKTN-ZDUSSCGKSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820055304 606321367 /nfs/dbraw/zinc/32/13/67/606321367.db2.gz IBKCLJZRJSQKTN-ZDUSSCGKSA-N -1 3 395.427 0.969 20 30 GCEDHM N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000822819264 606363579 /nfs/dbraw/zinc/36/35/79/606363579.db2.gz NUTQCWHZZHXRMS-AAEUAGOBSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822819264 606363580 /nfs/dbraw/zinc/36/35/80/606363580.db2.gz NUTQCWHZZHXRMS-AAEUAGOBSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000822819270 606363585 /nfs/dbraw/zinc/36/35/85/606363585.db2.gz NUTQCWHZZHXRMS-YPMHNXCESA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822819270 606363587 /nfs/dbraw/zinc/36/35/87/606363587.db2.gz NUTQCWHZZHXRMS-YPMHNXCESA-N -1 3 393.411 0.723 20 30 GCEDHM C=C(Cl)CNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000819722228 606604124 /nfs/dbraw/zinc/60/41/24/606604124.db2.gz DKCWQZCPGOOTSZ-UHFFFAOYSA-N -1 3 387.791 0.314 20 30 GCEDHM C=C(Cl)CNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000819722228 606604125 /nfs/dbraw/zinc/60/41/25/606604125.db2.gz DKCWQZCPGOOTSZ-UHFFFAOYSA-N -1 3 387.791 0.314 20 30 GCEDHM C#CCN1CCN(C(=O)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)CC1 ZINC000819702465 606624068 /nfs/dbraw/zinc/62/40/68/606624068.db2.gz ZSAPZKMIANIKCF-UHFFFAOYSA-N -1 3 376.424 0.508 20 30 GCEDHM C#CCN1CCN(C(=O)Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)CC1 ZINC000819702465 606624070 /nfs/dbraw/zinc/62/40/70/606624070.db2.gz ZSAPZKMIANIKCF-UHFFFAOYSA-N -1 3 376.424 0.508 20 30 GCEDHM C#CCN1CCN(C(=O)Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819701311 606624245 /nfs/dbraw/zinc/62/42/45/606624245.db2.gz CBKQDTUSFNHBDR-UHFFFAOYSA-N -1 3 391.439 0.211 20 30 GCEDHM C#CCN1CCN(C(=O)Cn2c(C)nnc2-c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819701311 606624247 /nfs/dbraw/zinc/62/42/47/606624247.db2.gz CBKQDTUSFNHBDR-UHFFFAOYSA-N -1 3 391.439 0.211 20 30 GCEDHM CS(=O)(=O)N1CCC[C@H](CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)C1 ZINC000821931699 606637947 /nfs/dbraw/zinc/63/79/47/606637947.db2.gz GIMVFVZFTQBFPD-VIFPVBQESA-N -1 3 394.486 0.479 20 30 GCEDHM CS(=O)(=O)N1CCC[C@H](CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)C1 ZINC000821931699 606637948 /nfs/dbraw/zinc/63/79/48/606637948.db2.gz GIMVFVZFTQBFPD-VIFPVBQESA-N -1 3 394.486 0.479 20 30 GCEDHM N#C[C@H]1COCCN1S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000822806648 606639562 /nfs/dbraw/zinc/63/95/62/606639562.db2.gz RBOGDCXZZHFDGY-JTQLQIEISA-N -1 3 399.230 0.542 20 30 GCEDHM N#C[C@H]1COCCN1S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000822806648 606639563 /nfs/dbraw/zinc/63/95/63/606639563.db2.gz RBOGDCXZZHFDGY-JTQLQIEISA-N -1 3 399.230 0.542 20 30 GCEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000821608423 606658805 /nfs/dbraw/zinc/65/88/05/606658805.db2.gz GOWGKIBZQBJPMV-UHFFFAOYSA-N -1 3 379.384 0.574 20 30 GCEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000821608423 606658806 /nfs/dbraw/zinc/65/88/06/606658806.db2.gz GOWGKIBZQBJPMV-UHFFFAOYSA-N -1 3 379.384 0.574 20 30 GCEDHM C#CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000819697967 606677943 /nfs/dbraw/zinc/67/79/43/606677943.db2.gz PKECCWZIDRTDSM-JTQLQIEISA-N -1 3 381.364 0.407 20 30 GCEDHM C#CCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000819697967 606677944 /nfs/dbraw/zinc/67/79/44/606677944.db2.gz PKECCWZIDRTDSM-JTQLQIEISA-N -1 3 381.364 0.407 20 30 GCEDHM C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819751403 606758102 /nfs/dbraw/zinc/75/81/02/606758102.db2.gz UIOUVPBMZFIHBG-SSDOTTSWSA-N -1 3 380.311 0.702 20 30 GCEDHM C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819751403 606758104 /nfs/dbraw/zinc/75/81/04/606758104.db2.gz UIOUVPBMZFIHBG-SSDOTTSWSA-N -1 3 380.311 0.702 20 30 GCEDHM N#CCCN(CCC#N)C(=O)COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822806310 606759471 /nfs/dbraw/zinc/75/94/71/606759471.db2.gz LSOQYBIFUXMWTF-UHFFFAOYSA-N -1 3 389.322 0.958 20 30 GCEDHM N#CCCN(CCC#N)C(=O)COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822806310 606759472 /nfs/dbraw/zinc/75/94/72/606759472.db2.gz LSOQYBIFUXMWTF-UHFFFAOYSA-N -1 3 389.322 0.958 20 30 GCEDHM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820803567 606821820 /nfs/dbraw/zinc/82/18/20/606821820.db2.gz CGXCHTBQLXCIAS-LBPRGKRZSA-N -1 3 375.396 0.879 20 30 GCEDHM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820803567 606821821 /nfs/dbraw/zinc/82/18/21/606821821.db2.gz CGXCHTBQLXCIAS-LBPRGKRZSA-N -1 3 375.396 0.879 20 30 GCEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820803930 606823982 /nfs/dbraw/zinc/82/39/82/606823982.db2.gz JVGPWQFNBYRKJX-SNVBAGLBSA-N -1 3 381.425 0.941 20 30 GCEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820803930 606823985 /nfs/dbraw/zinc/82/39/85/606823985.db2.gz JVGPWQFNBYRKJX-SNVBAGLBSA-N -1 3 381.425 0.941 20 30 GCEDHM C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000819702454 606843318 /nfs/dbraw/zinc/84/33/18/606843318.db2.gz ZMBMVTRDJJOVIR-UHFFFAOYSA-N -1 3 392.416 0.156 20 30 GCEDHM N#Cc1ccc([C@H](O)CN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000822826026 606856781 /nfs/dbraw/zinc/85/67/81/606856781.db2.gz RPYPBJUBCRYGCN-QGZVFWFLSA-N -1 3 376.424 0.989 20 30 GCEDHM C#CCCN1CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000819697769 606887377 /nfs/dbraw/zinc/88/73/77/606887377.db2.gz KLWBUJSPRJANRZ-UHFFFAOYSA-N -1 3 382.396 0.475 20 30 GCEDHM C#CCCN1CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000819697769 606887378 /nfs/dbraw/zinc/88/73/78/606887378.db2.gz KLWBUJSPRJANRZ-UHFFFAOYSA-N -1 3 382.396 0.475 20 30 GCEDHM N#CCc1ccnc(NC(=O)CS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822815617 606956040 /nfs/dbraw/zinc/95/60/40/606956040.db2.gz UPWPDOOXAXJXKX-UHFFFAOYSA-N -1 3 397.420 0.881 20 30 GCEDHM N#CCc1ccnc(NC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822815617 606956042 /nfs/dbraw/zinc/95/60/42/606956042.db2.gz UPWPDOOXAXJXKX-UHFFFAOYSA-N -1 3 397.420 0.881 20 30 GCEDHM CC[C@](C)(C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820848548 607016826 /nfs/dbraw/zinc/01/68/26/607016826.db2.gz YOXBLSFUJRWSMK-MEBBXXQBSA-N -1 3 377.430 0.342 20 30 GCEDHM CC[C@](C)(C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820848548 607016828 /nfs/dbraw/zinc/01/68/28/607016828.db2.gz YOXBLSFUJRWSMK-MEBBXXQBSA-N -1 3 377.430 0.342 20 30 GCEDHM CCC[C@@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821009380 607018463 /nfs/dbraw/zinc/01/84/63/607018463.db2.gz QAVHRZGZKQHNPO-JQWIXIFHSA-N -1 3 377.430 0.342 20 30 GCEDHM CCC[C@@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821009380 607018464 /nfs/dbraw/zinc/01/84/64/607018464.db2.gz QAVHRZGZKQHNPO-JQWIXIFHSA-N -1 3 377.430 0.342 20 30 GCEDHM CCC[C@@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821009035 607018503 /nfs/dbraw/zinc/01/85/03/607018503.db2.gz NBCXMTRPIAZAOI-PWSUYJOCSA-N -1 3 377.430 0.342 20 30 GCEDHM CCC[C@@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821009035 607018505 /nfs/dbraw/zinc/01/85/05/607018505.db2.gz NBCXMTRPIAZAOI-PWSUYJOCSA-N -1 3 377.430 0.342 20 30 GCEDHM C#CCSCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819709549 607042404 /nfs/dbraw/zinc/04/24/04/607042404.db2.gz ITCLILSFNZVVCI-LLVKDONJSA-N -1 3 394.482 0.016 20 30 GCEDHM C#CCSCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819709549 607042405 /nfs/dbraw/zinc/04/24/05/607042405.db2.gz ITCLILSFNZVVCI-LLVKDONJSA-N -1 3 394.482 0.016 20 30 GCEDHM CC(C)[C@H](C#N)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820444151 607082298 /nfs/dbraw/zinc/08/22/98/607082298.db2.gz HEEPBGUOABXXJD-GWCFXTLKSA-N -1 3 378.414 0.625 20 30 GCEDHM CC(C)[C@H](C#N)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820444151 607082300 /nfs/dbraw/zinc/08/23/00/607082300.db2.gz HEEPBGUOABXXJD-GWCFXTLKSA-N -1 3 378.414 0.625 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1(CC#N)CC1 ZINC000820446756 607090692 /nfs/dbraw/zinc/09/06/92/607090692.db2.gz XBHLCQUHQLZLFG-NSHDSACASA-N -1 3 390.425 0.771 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1(CC#N)CC1 ZINC000820446756 607090693 /nfs/dbraw/zinc/09/06/93/607090693.db2.gz XBHLCQUHQLZLFG-NSHDSACASA-N -1 3 390.425 0.771 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@@H](C#N)C1CC1 ZINC000820450437 607091106 /nfs/dbraw/zinc/09/11/06/607091106.db2.gz KOBYMNMMWIADIL-ZANVPECISA-N -1 3 376.398 0.379 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@@H](C#N)C1CC1 ZINC000820450437 607091108 /nfs/dbraw/zinc/09/11/08/607091108.db2.gz KOBYMNMMWIADIL-ZANVPECISA-N -1 3 376.398 0.379 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H](C#N)C1CC1 ZINC000820444278 607091110 /nfs/dbraw/zinc/09/11/10/607091110.db2.gz IFSXYMPYPVKGEI-RNCFNFMXSA-N -1 3 376.398 0.379 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C#N)C1CC1 ZINC000820444278 607091112 /nfs/dbraw/zinc/09/11/12/607091112.db2.gz IFSXYMPYPVKGEI-RNCFNFMXSA-N -1 3 376.398 0.379 20 30 GCEDHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)S(=O)(=O)C1CCOCC1 ZINC000819867086 607238159 /nfs/dbraw/zinc/23/81/59/607238159.db2.gz RBDVRVQVXSRFLH-SNVBAGLBSA-N -1 3 390.425 0.659 20 30 GCEDHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)S(=O)(=O)C1CCOCC1 ZINC000819867086 607238160 /nfs/dbraw/zinc/23/81/60/607238160.db2.gz RBDVRVQVXSRFLH-SNVBAGLBSA-N -1 3 390.425 0.659 20 30 GCEDHM NC(=NOCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)CCO2 ZINC000826388347 607811207 /nfs/dbraw/zinc/81/12/07/607811207.db2.gz STMGONOMABXQPC-UHFFFAOYSA-N -1 3 393.407 0.755 20 30 GCEDHM C=CCN(Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000823919692 607924646 /nfs/dbraw/zinc/92/46/46/607924646.db2.gz NGLACGBWOFLDLA-CYBMUJFWSA-N -1 3 391.453 0.828 20 30 GCEDHM C=CCN(Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000823919692 607924647 /nfs/dbraw/zinc/92/46/47/607924647.db2.gz NGLACGBWOFLDLA-CYBMUJFWSA-N -1 3 391.453 0.828 20 30 GCEDHM C=CCCC(=O)COC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823888022 608056985 /nfs/dbraw/zinc/05/69/85/608056985.db2.gz CWSAQRBHUPREMC-UHFFFAOYSA-N -1 3 379.398 0.224 20 30 GCEDHM C=CCCC(=O)COC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823888022 608056986 /nfs/dbraw/zinc/05/69/86/608056986.db2.gz CWSAQRBHUPREMC-UHFFFAOYSA-N -1 3 379.398 0.224 20 30 GCEDHM C=CCCC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823888818 608057796 /nfs/dbraw/zinc/05/77/96/608057796.db2.gz XTUWRUQYSPFLCW-NSHDSACASA-N -1 3 393.425 0.612 20 30 GCEDHM C=CCCC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823888818 608057797 /nfs/dbraw/zinc/05/77/97/608057797.db2.gz XTUWRUQYSPFLCW-NSHDSACASA-N -1 3 393.425 0.612 20 30 GCEDHM C=CCCC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823888817 608057880 /nfs/dbraw/zinc/05/78/80/608057880.db2.gz XTUWRUQYSPFLCW-LLVKDONJSA-N -1 3 393.425 0.612 20 30 GCEDHM C=CCCC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823888817 608057881 /nfs/dbraw/zinc/05/78/81/608057881.db2.gz XTUWRUQYSPFLCW-LLVKDONJSA-N -1 3 393.425 0.612 20 30 GCEDHM CC#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823937061 608102739 /nfs/dbraw/zinc/10/27/39/608102739.db2.gz GLUBLUOCDXGWSS-UHFFFAOYSA-N -1 3 388.453 0.407 20 30 GCEDHM CC#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823937061 608102740 /nfs/dbraw/zinc/10/27/40/608102740.db2.gz GLUBLUOCDXGWSS-UHFFFAOYSA-N -1 3 388.453 0.407 20 30 GCEDHM CN(CC(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)c1ccc(C#N)[nH]1 ZINC000825897195 608170702 /nfs/dbraw/zinc/17/07/02/608170702.db2.gz DIVPSIBEFNIKSH-UHFFFAOYSA-N -1 3 395.427 0.923 20 30 GCEDHM CN(CC(C)(C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)c1ccc(C#N)[nH]1 ZINC000825897195 608170704 /nfs/dbraw/zinc/17/07/04/608170704.db2.gz DIVPSIBEFNIKSH-UHFFFAOYSA-N -1 3 395.427 0.923 20 30 GCEDHM C=CCN(CC(=O)OCC)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000823903934 608329500 /nfs/dbraw/zinc/32/95/00/608329500.db2.gz NTBRKKYLZMTBRO-UHFFFAOYSA-N -1 3 383.405 0.887 20 30 GCEDHM C=CCN(CC(=O)OCC)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000823903934 608329501 /nfs/dbraw/zinc/32/95/01/608329501.db2.gz NTBRKKYLZMTBRO-UHFFFAOYSA-N -1 3 383.405 0.887 20 30 GCEDHM C#CCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000823845461 608336691 /nfs/dbraw/zinc/33/66/91/608336691.db2.gz UAMJXOIKRNAWHU-GFCCVEGCSA-N -1 3 390.425 0.530 20 30 GCEDHM C#CCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000823845461 608336693 /nfs/dbraw/zinc/33/66/93/608336693.db2.gz UAMJXOIKRNAWHU-GFCCVEGCSA-N -1 3 390.425 0.530 20 30 GCEDHM C#CCN(C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000823845402 608338743 /nfs/dbraw/zinc/33/87/43/608338743.db2.gz QTGHEUBZZCGVCR-LLVKDONJSA-N -1 3 378.389 0.660 20 30 GCEDHM C#CCN(C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000823845402 608338746 /nfs/dbraw/zinc/33/87/46/608338746.db2.gz QTGHEUBZZCGVCR-LLVKDONJSA-N -1 3 378.389 0.660 20 30 GCEDHM N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)nn1 ZINC000826385240 608391750 /nfs/dbraw/zinc/39/17/50/608391750.db2.gz CPYYUJDHLKMLFU-UHFFFAOYSA-N -1 3 397.424 0.039 20 30 GCEDHM Cc1cc(NC(=O)C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)nn1CCC#N ZINC000826269175 608490452 /nfs/dbraw/zinc/49/04/52/608490452.db2.gz CKBVJNDMTVXFSQ-UHFFFAOYSA-N -1 3 393.411 0.882 20 30 GCEDHM Cc1cc(NC(=O)C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)nn1CCC#N ZINC000826269175 608490454 /nfs/dbraw/zinc/49/04/54/608490454.db2.gz CKBVJNDMTVXFSQ-UHFFFAOYSA-N -1 3 393.411 0.882 20 30 GCEDHM CC(=NN1CC(=O)N(C)C1=O)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000823944158 608541935 /nfs/dbraw/zinc/54/19/35/608541935.db2.gz ZEXIJZDULWQRQT-UHFFFAOYSA-N -1 3 379.384 0.979 20 30 GCEDHM C=CC[C@H](CO)CNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823888656 608561461 /nfs/dbraw/zinc/56/14/61/608561461.db2.gz SPDKDUCRSKHOGY-ZDUSSCGKSA-N -1 3 379.442 0.082 20 30 GCEDHM N#C[C@@H]1CSCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000826380686 608564967 /nfs/dbraw/zinc/56/49/67/608564967.db2.gz JNXDVGKNGCUHRE-GFCCVEGCSA-N -1 3 381.425 0.716 20 30 GCEDHM N#C[C@@H]1CSCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000826380686 608564969 /nfs/dbraw/zinc/56/49/69/608564969.db2.gz JNXDVGKNGCUHRE-GFCCVEGCSA-N -1 3 381.425 0.716 20 30 GCEDHM CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824185375 608643444 /nfs/dbraw/zinc/64/34/44/608643444.db2.gz XSHUKMPVVDIELB-GOSISDBHSA-N -1 3 396.499 0.991 20 30 GCEDHM N#CC1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCOCC1 ZINC000826380154 609136026 /nfs/dbraw/zinc/13/60/26/609136026.db2.gz PIBFSJAMESVANY-HNNXBMFYSA-N -1 3 395.423 0.799 20 30 GCEDHM N#CC1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCOCC1 ZINC000826380154 609136027 /nfs/dbraw/zinc/13/60/27/609136027.db2.gz PIBFSJAMESVANY-HNNXBMFYSA-N -1 3 395.423 0.799 20 30 GCEDHM N#Cc1ccnc(N2CCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826387930 609190504 /nfs/dbraw/zinc/19/05/04/609190504.db2.gz ZVLDICUYOJJVLI-KRWDZBQOSA-N -1 3 390.407 0.516 20 30 GCEDHM N#Cc1ccnc(N2CCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826387930 609190506 /nfs/dbraw/zinc/19/05/06/609190506.db2.gz ZVLDICUYOJJVLI-KRWDZBQOSA-N -1 3 390.407 0.516 20 30 GCEDHM C#Cc1cccc(NC(=O)CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823861438 609207173 /nfs/dbraw/zinc/20/71/73/609207173.db2.gz IQPCEQRYAJZMEK-QGZVFWFLSA-N -1 3 376.376 0.636 20 30 GCEDHM C#Cc1cccc(NC(=O)CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823861438 609207174 /nfs/dbraw/zinc/20/71/74/609207174.db2.gz IQPCEQRYAJZMEK-QGZVFWFLSA-N -1 3 376.376 0.636 20 30 GCEDHM C[C@@H](C#N)CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824034508 609367733 /nfs/dbraw/zinc/36/77/33/609367733.db2.gz LBXWNPKPGOYCEO-VIFPVBQESA-N -1 3 383.347 0.406 20 30 GCEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000824319586 609413363 /nfs/dbraw/zinc/41/33/63/609413363.db2.gz VGBJZIONCLGCSP-UHFFFAOYSA-N -1 3 395.383 0.951 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(C)(C)C#N ZINC000824632617 609430135 /nfs/dbraw/zinc/43/01/35/609430135.db2.gz CEMZGBKTQYAOLT-SNVBAGLBSA-N -1 3 377.430 0.199 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C)(C)C#N ZINC000824632617 609430139 /nfs/dbraw/zinc/43/01/39/609430139.db2.gz CEMZGBKTQYAOLT-SNVBAGLBSA-N -1 3 377.430 0.199 20 30 GCEDHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CCC(CC#N)CC3)CC2)o1 ZINC000826322766 609430865 /nfs/dbraw/zinc/43/08/65/609430865.db2.gz AQBDTQDHQRYIRG-UHFFFAOYSA-N -1 3 399.459 0.437 20 30 GCEDHM CCC[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825242116 609452202 /nfs/dbraw/zinc/45/22/02/609452202.db2.gz INDVUQHJMOLGDL-GFCCVEGCSA-N -1 3 381.400 0.723 20 30 GCEDHM CCC[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825242116 609452205 /nfs/dbraw/zinc/45/22/05/609452205.db2.gz INDVUQHJMOLGDL-GFCCVEGCSA-N -1 3 381.400 0.723 20 30 GCEDHM C=CCNC(=O)CN1CCN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)CC1 ZINC000823919594 609524428 /nfs/dbraw/zinc/52/44/28/609524428.db2.gz LFQCPWGUWJQHCK-UHFFFAOYSA-N -1 3 376.852 0.648 20 30 GCEDHM C=CCNC(=O)CN1CCN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)CC1 ZINC000823919594 609524430 /nfs/dbraw/zinc/52/44/30/609524430.db2.gz LFQCPWGUWJQHCK-UHFFFAOYSA-N -1 3 376.852 0.648 20 30 GCEDHM C=CCOCCNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823925350 609619513 /nfs/dbraw/zinc/61/95/13/609619513.db2.gz IJQDFAPFYAKAAL-OAHLLOKOSA-N -1 3 385.428 0.864 20 30 GCEDHM C=CCOCCNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823925350 609619515 /nfs/dbraw/zinc/61/95/15/609619515.db2.gz IJQDFAPFYAKAAL-OAHLLOKOSA-N -1 3 385.428 0.864 20 30 GCEDHM C=CCOCCNC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823925348 609619614 /nfs/dbraw/zinc/61/96/14/609619614.db2.gz IJQDFAPFYAKAAL-HNNXBMFYSA-N -1 3 385.428 0.864 20 30 GCEDHM C=CCOCCNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823925348 609619615 /nfs/dbraw/zinc/61/96/15/609619615.db2.gz IJQDFAPFYAKAAL-HNNXBMFYSA-N -1 3 385.428 0.864 20 30 GCEDHM N#Cc1ccc([C@@H](OC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C(N)=O)cc1 ZINC000826384843 609629851 /nfs/dbraw/zinc/62/98/51/609629851.db2.gz LOPGODUZGVWHFF-LSDHHAIUSA-N -1 3 378.348 0.542 20 30 GCEDHM N#Cc1ccc([C@@H](OC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C(N)=O)cc1 ZINC000826384843 609629852 /nfs/dbraw/zinc/62/98/52/609629852.db2.gz LOPGODUZGVWHFF-LSDHHAIUSA-N -1 3 378.348 0.542 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)CS(C)(=O)=O)ccc1F ZINC000732646709 639813243 /nfs/dbraw/zinc/81/32/43/639813243.db2.gz ZLVGHFKIUSDPSY-NSHDSACASA-N -1 3 392.474 0.795 20 30 GCEDHM CCOc1nnc(COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)s1 ZINC000733394074 639973123 /nfs/dbraw/zinc/97/31/23/639973123.db2.gz GGJJRYMCWCTODW-UHFFFAOYSA-N -1 3 382.423 0.719 20 30 GCEDHM C[C@@](O)(CNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccsc1 ZINC000740940109 640219248 /nfs/dbraw/zinc/21/92/48/640219248.db2.gz RTTSGIUTXNGRNZ-MRXNPFEDSA-N -1 3 379.463 0.811 20 30 GCEDHM C[C@H](CC(=O)O[C@@H]1CCS(=O)(=O)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744081498 640262366 /nfs/dbraw/zinc/26/23/66/640262366.db2.gz QKQBYANPFCHSFY-GHMZBOCLSA-N -1 3 386.451 0.234 20 30 GCEDHM CC(C)S(=O)(=O)CCCOC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000758916947 640540711 /nfs/dbraw/zinc/54/07/11/640540711.db2.gz WLWOIZNOYHKGFS-UHFFFAOYSA-N -1 3 388.467 0.482 20 30 GCEDHM C[C@H](CC(=O)N1CCN(CC#N)CC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760613493 640577191 /nfs/dbraw/zinc/57/71/91/640577191.db2.gz DTRGJTPMQZOCNK-GFCCVEGCSA-N -1 3 385.877 0.460 20 30 GCEDHM CS(=O)(=O)CC1(COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000767500220 640726462 /nfs/dbraw/zinc/72/64/62/640726462.db2.gz ONBIGZJXTRYGMQ-UHFFFAOYSA-N -1 3 386.451 0.093 20 30 GCEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]S(=O)(=O)CCS(C)(=O)=O)C1=O ZINC000767531890 640727204 /nfs/dbraw/zinc/72/72/04/640727204.db2.gz KVFMMPVGOVTORK-AWEZNQCLSA-N -1 3 397.519 0.536 20 30 GCEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000770102710 640794798 /nfs/dbraw/zinc/79/47/98/640794798.db2.gz XDJZYPNZPGGFQZ-MQIPJXDCSA-N -1 3 375.491 0.936 20 30 GCEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC)[C@H]1CCCO1 ZINC000773056043 640854297 /nfs/dbraw/zinc/85/42/97/640854297.db2.gz LRFXPEDOXQMNGC-NXEZZACHSA-N -1 3 387.435 0.780 20 30 GCEDHM CN(CCO)CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000885804589 641171443 /nfs/dbraw/zinc/17/14/43/641171443.db2.gz NXTIVNJLPLHLQF-UHFFFAOYSA-N -1 3 380.239 0.662 20 30 GCEDHM CS(=O)(=O)CCS(=O)(=O)[N-][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000779954550 641200504 /nfs/dbraw/zinc/20/05/04/641200504.db2.gz RWDYBFNCNOUEKQ-CQSZACIVSA-N -1 3 385.467 0.018 20 30 GCEDHM COC[C@H](C#N)OC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000785272288 641306241 /nfs/dbraw/zinc/30/62/41/641306241.db2.gz RERBOUPUCNFORI-ZETCQYMHSA-N -1 3 383.245 0.871 20 30 GCEDHM COCc1nc(CNC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cs1 ZINC000810886817 641743546 /nfs/dbraw/zinc/74/35/46/641743546.db2.gz SXCPAHGYSYWZOL-UHFFFAOYSA-N -1 3 380.451 0.644 20 30 GCEDHM C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000823932407 642032585 /nfs/dbraw/zinc/03/25/85/642032585.db2.gz XGDJGXJLJADSCC-UHFFFAOYSA-N -1 3 391.862 0.399 20 30 GCEDHM C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000823932407 642032592 /nfs/dbraw/zinc/03/25/92/642032592.db2.gz XGDJGXJLJADSCC-UHFFFAOYSA-N -1 3 391.862 0.399 20 30 GCEDHM Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)N[C@H]2CNC[C@H]2C#N)cn1 ZINC000834494075 642213423 /nfs/dbraw/zinc/21/34/23/642213423.db2.gz JTMBWYCYLKOGDI-KOLCDFICSA-N -1 3 380.455 0.124 20 30 GCEDHM C#CC[C@H](NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C(=O)OC ZINC000837942624 642282709 /nfs/dbraw/zinc/28/27/09/642282709.db2.gz PBDFQDJRNVVAON-MNOVXSKESA-N -1 3 387.845 0.473 20 30 GCEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867367704 642408398 /nfs/dbraw/zinc/40/83/98/642408398.db2.gz HKTQRTCOTOQFTK-MRVPVSSYSA-N -1 3 385.227 0.630 20 30 GCEDHM C#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccnc1NC(C)=O ZINC000848961927 642587635 /nfs/dbraw/zinc/58/76/35/642587635.db2.gz UZKVONKJMYLSJL-UHFFFAOYSA-N -1 3 388.471 0.067 20 30 GCEDHM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cnc(C)nc1)C(C)(C)C ZINC000848962175 642588610 /nfs/dbraw/zinc/58/86/10/642588610.db2.gz MOQQPNDPCUWAJF-CQSZACIVSA-N -1 3 388.515 0.884 20 30 GCEDHM C[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000857305350 642938511 /nfs/dbraw/zinc/93/85/11/642938511.db2.gz DGZYWKRSYNEIKI-FLXNLOQFSA-N -1 3 383.495 0.531 20 30 GCEDHM COCC1(O)CCN(C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000759970446 1192428683 /nfs/dbraw/zinc/42/86/83/1192428683.db2.gz SYWSOZRHCKYNEP-CYBMUJFWSA-N -1 3 395.481 0.504 20 30 GCEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000512181530 1192500129 /nfs/dbraw/zinc/50/01/29/1192500129.db2.gz NYVHRRRKDHAKSX-LLVKDONJSA-N -1 3 378.396 0.686 20 30 GCEDHM COC(=O)CCN1CC[C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1=O ZINC000500483618 1192626121 /nfs/dbraw/zinc/62/61/21/1192626121.db2.gz RZNJIVLLGCVOJU-OAHLLOKOSA-N -1 3 388.424 0.489 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C[C@@H](C)O)CC2)ccc1F ZINC000275405019 1184655644 /nfs/dbraw/zinc/65/56/44/1184655644.db2.gz FYAGLTLMMCKWMR-CYBMUJFWSA-N -1 3 385.461 0.429 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCCn1cc([N+](=O)[O-])cn1 ZINC000748109048 1184659661 /nfs/dbraw/zinc/65/96/61/1184659661.db2.gz LDPIXMFRSFKSOM-UHFFFAOYSA-N -1 3 379.354 0.073 20 30 GCEDHM COCCCS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC001670449955 1184940921 /nfs/dbraw/zinc/94/09/21/1184940921.db2.gz LZSLOWCUWCFXIN-CQSZACIVSA-N -1 3 385.442 0.999 20 30 GCEDHM O=C(Nc1ccc(C(=O)N2CCOCC2)c(F)c1)N[C@H]1CCCN([O-])C1=O ZINC001670574609 1185182919 /nfs/dbraw/zinc/18/29/19/1185182919.db2.gz ZHJWNRKJNQMBTE-AWEZNQCLSA-N -1 3 380.376 0.800 20 30 GCEDHM COCc1noc([C@@H](C)OC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000785025029 1185317598 /nfs/dbraw/zinc/31/75/98/1185317598.db2.gz VVXCCMNOCSXITI-SECBINFHSA-N -1 3 380.382 0.559 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCn1c(=O)ccn(C)c1=O ZINC000468177280 1186321579 /nfs/dbraw/zinc/32/15/79/1186321579.db2.gz JFYVQXZLIAIHMW-UHFFFAOYSA-N -1 3 385.424 0.275 20 30 GCEDHM Cn1nccc1[C@@H]1CCCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000376601432 1187968141 /nfs/dbraw/zinc/96/81/41/1187968141.db2.gz ZTJVMTFORIYHNR-CYBMUJFWSA-N -1 3 387.465 0.865 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCOC2(CCOCC2)CC1 ZINC000364247335 1189721858 /nfs/dbraw/zinc/72/18/58/1189721858.db2.gz XXUROIFJFCAOQA-UHFFFAOYSA-N -1 3 393.465 0.523 20 30 GCEDHM COCCc1noc(COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000728990917 1193902546 /nfs/dbraw/zinc/90/25/46/1193902546.db2.gz URGWZSGSROTVDJ-UHFFFAOYSA-N -1 3 380.382 0.040 20 30 GCEDHM C=CCCn1cc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)nn1 ZINC000424816852 1194830509 /nfs/dbraw/zinc/83/05/09/1194830509.db2.gz CCQQLWUWTJOSQE-UHFFFAOYSA-N -1 3 385.396 0.841 20 30 GCEDHM COc1ccc(NC(=O)NC[C@@H]2CN(C)CCN2C)cc1[N-]S(C)(=O)=O ZINC000330756309 1195706319 /nfs/dbraw/zinc/70/63/19/1195706319.db2.gz ZFGOWDSVQDLIBL-CYBMUJFWSA-N -1 3 385.490 0.638 20 30 GCEDHM N#CCCn1ccc(NC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC000441679006 1195817280 /nfs/dbraw/zinc/81/72/80/1195817280.db2.gz WHJARNBBPFHEBO-UHFFFAOYSA-N -1 3 398.395 1.175 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NCc1nc(CNC(=O)[C@H]2CC[C@@H](C)O2)cc(=O)[n-]1 ZINC000984134899 1195981339 /nfs/dbraw/zinc/98/13/39/1195981339.db2.gz RBYUFKWWIGLONR-REBRKWNGSA-N -1 3 390.440 0.573 20 30 GCEDHM C[C@@H](C#N)CN(C)S(=O)(=O)[N-][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000281792455 1196332004 /nfs/dbraw/zinc/33/20/04/1196332004.db2.gz OPELTWOPOHFHRA-UWVGGRQHSA-N -1 3 382.450 0.868 20 30 GCEDHM C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1 ZINC001088134615 1196373733 /nfs/dbraw/zinc/37/37/33/1196373733.db2.gz WYCGCXUIXOEYJA-CVYDXHPNSA-N -1 3 389.500 0.760 20 30 GCEDHM COC(=O)[C@]1(C)CCN(C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000760102447 1196374222 /nfs/dbraw/zinc/37/42/22/1196374222.db2.gz QSIDMGKUKTVANH-KZULUSFZSA-N -1 3 393.465 0.915 20 30 GCEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)[C@H]1CCNC1=O ZINC000760103161 1196380618 /nfs/dbraw/zinc/38/06/18/1196380618.db2.gz CSBXFCUCVXPHGJ-KBPBESRZSA-N -1 3 392.481 0.631 20 30 GCEDHM N#CC1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2cc3c(cn2)CCC3)C1 ZINC000349599990 1197261255 /nfs/dbraw/zinc/26/12/55/1197261255.db2.gz KYPAANLYJSGOGS-UHFFFAOYSA-N -1 3 398.510 0.877 20 30 GCEDHM CS(=O)(=O)CCn1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1=O ZINC000760267125 1197399814 /nfs/dbraw/zinc/39/98/14/1197399814.db2.gz CEGNDERHHADPCB-UHFFFAOYSA-N -1 3 399.425 0.704 20 30 GCEDHM CCOC(=O)c1nnc(C2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)[n-]1 ZINC000282307978 1199082475 /nfs/dbraw/zinc/08/24/75/1199082475.db2.gz MYKXPJWAVZXPON-NSHDSACASA-N -1 3 384.462 0.640 20 30 GCEDHM CCOC(=O)c1nc(C2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)n[n-]1 ZINC000282307978 1199082478 /nfs/dbraw/zinc/08/24/78/1199082478.db2.gz MYKXPJWAVZXPON-NSHDSACASA-N -1 3 384.462 0.640 20 30 GCEDHM CCC[C@@H]1C(=O)NCCN1C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000766011536 1199909476 /nfs/dbraw/zinc/90/94/76/1199909476.db2.gz FIHYMAWMUGBHPO-GXTWGEPZSA-N -1 3 392.481 0.631 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCN3C(=O)CC[C@H]3C2)ccc1F ZINC000766048791 1200080315 /nfs/dbraw/zinc/08/03/15/1200080315.db2.gz XBGPLSPTXOLWDX-ZDUSSCGKSA-N -1 3 381.429 0.737 20 30 GCEDHM CC(=O)N1CCC(COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000727770124 1201364149 /nfs/dbraw/zinc/36/41/49/1201364149.db2.gz RVLURKHAJDYYCM-UHFFFAOYSA-N -1 3 379.438 0.527 20 30 GCEDHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000732154774 1201522744 /nfs/dbraw/zinc/52/27/44/1201522744.db2.gz USUPDKYKBBGSNE-CYVLTUHYSA-N -1 3 396.407 0.808 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)Nc1ccc(OCCO)cc1 ZINC000732306897 1201531996 /nfs/dbraw/zinc/53/19/96/1201531996.db2.gz COVHICGMUXLPJD-UHFFFAOYSA-N -1 3 375.406 0.735 20 30 GCEDHM CNC(=O)c1cccc(COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000733819200 1201607882 /nfs/dbraw/zinc/60/78/82/1201607882.db2.gz PTERAJJCCAJOCT-UHFFFAOYSA-N -1 3 387.417 0.828 20 30 GCEDHM O=C(Cn1ccc(C=N[O-])nc1=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000736306759 1201712790 /nfs/dbraw/zinc/71/27/90/1201712790.db2.gz KKQCDAXLCNOMFY-CQSZACIVSA-N -1 3 382.442 0.010 20 30 GCEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000739153508 1201740995 /nfs/dbraw/zinc/74/09/95/1201740995.db2.gz CWLGGDFDBBVXOQ-CYBMUJFWSA-N -1 3 391.387 0.902 20 30 GCEDHM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000740804744 1201750333 /nfs/dbraw/zinc/75/03/33/1201750333.db2.gz RRUPLLAAZWXSCJ-NWDGAFQWSA-N -1 3 399.494 0.197 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NC[C@@H](O)c1c(F)cccc1F ZINC000740936405 1201752824 /nfs/dbraw/zinc/75/28/24/1201752824.db2.gz KZSYWFNXMKIQMA-CYBMUJFWSA-N -1 3 395.387 0.853 20 30 GCEDHM NC(=O)NCc1ccc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742384851 1201796696 /nfs/dbraw/zinc/79/66/96/1201796696.db2.gz CVNALZYKNXLKQC-UHFFFAOYSA-N -1 3 387.421 0.532 20 30 GCEDHM C[C@H](CC(=O)NCCNC(=O)C1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742482609 1201798969 /nfs/dbraw/zinc/79/89/69/1201798969.db2.gz LACPFJZGMIMLDP-LLVKDONJSA-N -1 3 378.454 0.146 20 30 GCEDHM C[C@@H](CC(=O)N1CCC2(CC1)OCCO2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742519324 1201799247 /nfs/dbraw/zinc/79/92/47/1201799247.db2.gz OWGYGWACZWFWTM-ZDUSSCGKSA-N -1 3 393.465 0.869 20 30 GCEDHM C[C@@H](CC(=O)N(CC(N)=O)C1CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742548986 1201800222 /nfs/dbraw/zinc/80/02/22/1201800222.db2.gz SOBHCSLRTXHVRZ-LBPRGKRZSA-N -1 3 392.481 0.760 20 30 GCEDHM C[C@@H](CC(=O)NCCCC(=O)NC1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742546932 1201800304 /nfs/dbraw/zinc/80/03/04/1201800304.db2.gz KJFWHKZUASJYCM-LBPRGKRZSA-N -1 3 392.481 0.679 20 30 GCEDHM CCn1cnnc1CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742544553 1201800350 /nfs/dbraw/zinc/80/03/50/1201800350.db2.gz PWCJUTDPHJEIGM-LLVKDONJSA-N -1 3 376.442 0.432 20 30 GCEDHM C[C@H](CC(=O)NC1(C(N)=O)CCCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742565311 1201800398 /nfs/dbraw/zinc/80/03/98/1201800398.db2.gz CGALZQHBRVMQPZ-GFCCVEGCSA-N -1 3 392.481 0.808 20 30 GCEDHM C[C@H](CC(=O)NCCNC(=O)C(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742606440 1201802404 /nfs/dbraw/zinc/80/24/04/1201802404.db2.gz GHQLQINSODNYQK-GFCCVEGCSA-N -1 3 394.497 0.782 20 30 GCEDHM CC[C@@H]1C(=O)NCCN1C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742646120 1201803027 /nfs/dbraw/zinc/80/30/27/1201803027.db2.gz IAWCVJQFHWVJEM-DGCLKSJQSA-N -1 3 378.454 0.241 20 30 GCEDHM C[C@H](CC(=O)N(C)[C@@H]1CCCCNC1=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742619780 1201803171 /nfs/dbraw/zinc/80/31/71/1201803171.db2.gz NPDHJXGVUHLPLB-TZMCWYRMSA-N -1 3 392.481 0.631 20 30 GCEDHM Cc1noc(CCCNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000742624484 1201803729 /nfs/dbraw/zinc/80/37/29/1201803729.db2.gz UQEKJHOEGJDWCT-NSHDSACASA-N -1 3 391.453 0.944 20 30 GCEDHM C[C@H](CC(=O)NCC1N=NC(=S)N1C)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000742638355 1201804112 /nfs/dbraw/zinc/80/41/12/1201804112.db2.gz BUUISFUGRNJLDC-SECBINFHSA-N -1 3 394.482 0.237 20 30 GCEDHM CCOC(=O)CN(CC)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742673217 1201804441 /nfs/dbraw/zinc/80/44/41/1201804441.db2.gz YTWFSJXSMIHKJR-LBPRGKRZSA-N -1 3 381.454 0.915 20 30 GCEDHM COC(=O)CN(CC#N)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742695794 1201805771 /nfs/dbraw/zinc/80/57/71/1201805771.db2.gz YGMJPAOKQZDYEY-LLVKDONJSA-N -1 3 378.410 0.029 20 30 GCEDHM C[C@@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCc1ccco1 ZINC000743696545 1201822960 /nfs/dbraw/zinc/82/29/60/1201822960.db2.gz PHBZLBGSBRUZPN-LLVKDONJSA-N -1 3 390.421 0.139 20 30 GCEDHM COCC[C@](C)(O)CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743771606 1201823592 /nfs/dbraw/zinc/82/35/92/1201823592.db2.gz BCKWYOCWNYNYIJ-PXAZEXFGSA-N -1 3 383.470 0.407 20 30 GCEDHM C[C@@H](CC(=O)OCC(=O)N1CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744114020 1201836685 /nfs/dbraw/zinc/83/66/85/1201836685.db2.gz STMZEMXXKIAFHJ-LBPRGKRZSA-N -1 3 379.438 0.669 20 30 GCEDHM CCN1C[C@H](COC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1=O ZINC000744170502 1201838090 /nfs/dbraw/zinc/83/80/90/1201838090.db2.gz UKPPESAYIIHBHQ-QWHCGFSZSA-N -1 3 393.465 0.915 20 30 GCEDHM C#CCCN1CCN(C(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)CC1 ZINC000744366695 1201840599 /nfs/dbraw/zinc/84/05/99/1201840599.db2.gz ZBQNVADPTDNCJV-UHFFFAOYSA-N -1 3 387.484 0.427 20 30 GCEDHM C[C@@H](CC(=O)OCc1ccn(C)c(=O)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496360 1201879497 /nfs/dbraw/zinc/87/94/97/1201879497.db2.gz LSTMYDLABUFDOW-LBPRGKRZSA-N -1 3 389.433 0.946 20 30 GCEDHM C[C@H](CC(=O)OCc1nnnn1C1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745495808 1201879794 /nfs/dbraw/zinc/87/97/94/1201879794.db2.gz IUSYUFCRKRCCJA-SNVBAGLBSA-N -1 3 390.425 0.569 20 30 GCEDHM C[C@@H](CC(=O)OCC(=O)NCC1CCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745497895 1201879872 /nfs/dbraw/zinc/87/98/72/1201879872.db2.gz XMMKLMOAWODCER-LBPRGKRZSA-N -1 3 393.465 0.963 20 30 GCEDHM C=C[C@@H]1C[C@]1(N[C@@H]1CC[C@H](C(=O)OCC)OC1)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001169339211 1201943297 /nfs/dbraw/zinc/94/32/97/1201943297.db2.gz AVWKZDIBQAZXRS-CTWCOEIASA-N -1 3 386.470 0.240 20 30 GCEDHM CCOCCS(=O)(=O)[N-]CC(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000767381182 1201970842 /nfs/dbraw/zinc/97/08/42/1201970842.db2.gz XOTKAZQOAYGOHF-UHFFFAOYSA-N -1 3 394.409 0.607 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N[C@H]1CCOC2(CCOCC2)C1 ZINC000768591256 1202025104 /nfs/dbraw/zinc/02/51/04/1202025104.db2.gz NAXZBNSJDYKFKO-ZDUSSCGKSA-N -1 3 393.465 0.570 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1C[C@H](O)[C@@H](C)C1 ZINC000769129363 1202047217 /nfs/dbraw/zinc/04/72/17/1202047217.db2.gz SSZNGOCDFRQFIF-QEJZJMRPSA-N -1 3 379.482 0.979 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]1CS(N)(=O)=O ZINC000769595114 1202064327 /nfs/dbraw/zinc/06/43/27/1202064327.db2.gz SNIQLTNGJQWKQL-CYBMUJFWSA-N -1 3 380.470 0.878 20 30 GCEDHM CCOC1CC(O)(CNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000769708107 1202069376 /nfs/dbraw/zinc/06/93/76/1202069376.db2.gz JYDYQRXSXJSCLY-WHENESEISA-N -1 3 395.481 0.550 20 30 GCEDHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCC(=O)NCc1ccc(C#N)cc1 ZINC000770100505 1202084927 /nfs/dbraw/zinc/08/49/27/1202084927.db2.gz PNKIDOVWJJVOHH-OAHLLOKOSA-N -1 3 381.454 0.682 20 30 GCEDHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCC(=O)NCc1cccc(C#N)c1 ZINC000770115969 1202086182 /nfs/dbraw/zinc/08/61/82/1202086182.db2.gz QWPCDELCXCDRSR-HNNXBMFYSA-N -1 3 381.454 0.682 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)ccc1F ZINC000770234730 1202089608 /nfs/dbraw/zinc/08/96/08/1202089608.db2.gz JXJUDQZTXFIOJS-DOMZBBRYSA-N -1 3 385.461 0.739 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N[C@@H](CO)c1c(F)cccc1F ZINC000771070374 1202123030 /nfs/dbraw/zinc/12/30/30/1202123030.db2.gz MOHTUCUTCFWIOD-ZDUSSCGKSA-N -1 3 395.387 0.853 20 30 GCEDHM C[C@@H](CC(=O)N(C)CCc1cnccn1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000771289609 1202131670 /nfs/dbraw/zinc/13/16/70/1202131670.db2.gz BWZHCRZEGDTUEP-ZDUSSCGKSA-N -1 3 387.465 0.995 20 30 GCEDHM COC(COCCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)OC ZINC000789910531 1205452388 /nfs/dbraw/zinc/45/23/88/1205452388.db2.gz KWDFEHSSZPIISL-LBPRGKRZSA-N -1 3 399.469 0.255 20 30 GCEDHM C[C@@H](CC(=O)N1CC(=O)N(C2CC2)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000791093755 1205473735 /nfs/dbraw/zinc/47/37/35/1205473735.db2.gz VQNPEXKGHZMFIO-NSHDSACASA-N -1 3 376.438 0.294 20 30 GCEDHM C[C@@H](OC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nnnn1C1CC1 ZINC000791275489 1205475683 /nfs/dbraw/zinc/47/56/83/1205475683.db2.gz OZHMCBPCCPQJLF-SECBINFHSA-N -1 3 376.398 0.351 20 30 GCEDHM COC(=O)C(C)(C)C(=O)[C@H](C)OC(=O)CN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000805341979 1205534835 /nfs/dbraw/zinc/53/48/35/1205534835.db2.gz WTWLHJGIDIXPOO-JTQLQIEISA-N -1 3 396.421 0.425 20 30 GCEDHM COC(=O)[C@@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1cccs1 ZINC000747325172 1205554347 /nfs/dbraw/zinc/55/43/47/1205554347.db2.gz FHEUIIFQXVCECB-AWEZNQCLSA-N -1 3 393.446 0.817 20 30 GCEDHM COC(=O)C1(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CCC1 ZINC000747482034 1205605360 /nfs/dbraw/zinc/60/53/60/1205605360.db2.gz ASVPYRRUPNYUIE-LLVKDONJSA-N -1 3 379.438 0.716 20 30 GCEDHM C[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)[C@H](O)Cc1ccccc1 ZINC000747552418 1205622051 /nfs/dbraw/zinc/62/20/51/1205622051.db2.gz HNMJLEVYOYIHFA-XJKSGUPXSA-N -1 3 387.461 0.833 20 30 GCEDHM C[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)[C@@H](O)Cc1ccccc1 ZINC000747552416 1205622132 /nfs/dbraw/zinc/62/21/32/1205622132.db2.gz HNMJLEVYOYIHFA-BBRMVZONSA-N -1 3 387.461 0.833 20 30 GCEDHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCCNc1ncccc1C#N ZINC000810202160 1205634942 /nfs/dbraw/zinc/63/49/42/1205634942.db2.gz YSXAZVWHOYBFJJ-UHFFFAOYSA-N -1 3 378.414 0.065 20 30 GCEDHM CC(C)[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000811186237 1205648943 /nfs/dbraw/zinc/64/89/43/1205648943.db2.gz HTWAKXQJIWDGMZ-HIFRSBDPSA-N -1 3 380.422 0.749 20 30 GCEDHM COC(=O)CCCONC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000811561143 1205653520 /nfs/dbraw/zinc/65/35/20/1205653520.db2.gz MGMBLPBKJOPWRO-LLVKDONJSA-N -1 3 383.426 0.505 20 30 GCEDHM COCC[C@H](NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OC ZINC000812394405 1205664686 /nfs/dbraw/zinc/66/46/86/1205664686.db2.gz ZJFYTOCWAVWOGX-YPMHNXCESA-N -1 3 397.453 0.198 20 30 GCEDHM COC(=O)CCN(CC#N)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001171919748 1205710592 /nfs/dbraw/zinc/71/05/92/1205710592.db2.gz IBKKLGRRMFJZEH-UHFFFAOYSA-N -1 3 379.847 0.595 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H]1COCC[C@H]1O ZINC001174869521 1205732910 /nfs/dbraw/zinc/73/29/10/1205732910.db2.gz LATONCDINQAVOY-RRFJBIMHSA-N -1 3 395.481 0.406 20 30 GCEDHM CCOC(=O)CON=C(C(=O)Nc1cnc(C(=O)OCC)[n-]1)c1cc[nH]n1 ZINC001177257815 1205764911 /nfs/dbraw/zinc/76/49/11/1205764911.db2.gz ZVOUZXVSEOYQPU-MTJSOVHGSA-N -1 3 378.345 0.232 20 30 GCEDHM COC(=O)[C@@H]1C[C@@H]1CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001177616656 1205773224 /nfs/dbraw/zinc/77/32/24/1205773224.db2.gz ZSHQPCZSAILYSY-NQBHXWOUSA-N -1 3 379.438 0.429 20 30 GCEDHM C[C@H](CC(=O)NCCN=S(C)(C)=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001178451318 1205786993 /nfs/dbraw/zinc/78/69/93/1205786993.db2.gz WHLFTMHSSXSUHK-LLVKDONJSA-N -1 3 386.499 0.348 20 30 GCEDHM CCOC(=O)c1cc(C#N)c(NC(=O)CN2CCN(C(C)=O)CC2)c(C)c1[O-] ZINC001179031482 1205801262 /nfs/dbraw/zinc/80/12/62/1205801262.db2.gz GIXIZADBBCHEFM-UHFFFAOYSA-N -1 3 388.424 0.852 20 30 GCEDHM CC(C)(C)OC(=O)N1CCN(C(=O)Cn2cc(F)c(=O)[n-]c2=O)C[C@H]1C#N ZINC001183659912 1205898399 /nfs/dbraw/zinc/89/83/99/1205898399.db2.gz ITMUTACMCLXLTD-SNVBAGLBSA-N -1 3 381.364 0.059 20 30 GCEDHM COC(=O)c1cnn(CC(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)c1 ZINC001184283360 1205907801 /nfs/dbraw/zinc/90/78/01/1205907801.db2.gz HFSFUSBWJICLHE-UHFFFAOYSA-N -1 3 386.364 0.574 20 30 GCEDHM C#CCC[C@@H](O)C[N-]S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br ZINC001189624194 1206012722 /nfs/dbraw/zinc/01/27/22/1206012722.db2.gz VZTGEYLHTOKTFW-MRVPVSSYSA-N -1 3 393.234 0.740 20 30 GCEDHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2F)C1 ZINC001190663693 1206040834 /nfs/dbraw/zinc/04/08/34/1206040834.db2.gz YYXGFIQCELWXHY-QWHCGFSZSA-N -1 3 385.417 0.956 20 30 GCEDHM CS(=O)(=O)N1CCC(C[N-]S(=O)(=O)c2cc(C#N)ccc2F)CC1 ZINC001190677300 1206043634 /nfs/dbraw/zinc/04/36/34/1206043634.db2.gz MQNNZNWCQZKPTQ-UHFFFAOYSA-N -1 3 375.447 0.647 20 30 GCEDHM C#CCNC(=O)c1ccc(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)nc1 ZINC000735381170 944641841 /nfs/dbraw/zinc/64/18/41/944641841.db2.gz MVCYNROJRDWGBS-UHFFFAOYSA-N -1 3 388.435 0.951 20 30 GCEDHM C#CCNC(=O)c1ccc(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)nc1 ZINC000735381170 944641844 /nfs/dbraw/zinc/64/18/44/944641844.db2.gz MVCYNROJRDWGBS-UHFFFAOYSA-N -1 3 388.435 0.951 20 30 GCEDHM C[C@H](CC#N)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820438743 945448614 /nfs/dbraw/zinc/44/86/14/945448614.db2.gz WACKCQRSSZINFB-MNOVXSKESA-N -1 3 377.430 0.294 20 30 GCEDHM C[C@H](CC#N)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820438743 945448622 /nfs/dbraw/zinc/44/86/22/945448622.db2.gz WACKCQRSSZINFB-MNOVXSKESA-N -1 3 377.430 0.294 20 30 GCEDHM CN(C)c1ccc(-c2nn[n-]n2)cc1CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001571281406 945803933 /nfs/dbraw/zinc/80/39/33/945803933.db2.gz HZBVEPPSPHRNGC-WMLDXEAASA-N -1 3 387.469 0.303 20 30 GCEDHM N#Cc1ccc(N2C[C@@H]3CCC[C@]3(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001571295738 946174124 /nfs/dbraw/zinc/17/41/24/946174124.db2.gz DLSXLNSZVWOTMW-VOJFVSQTSA-N -1 3 390.411 0.645 20 30 GCEDHM N#Cc1ccc(N2C[C@@H]3CCC[C@]3(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001571295738 946174128 /nfs/dbraw/zinc/17/41/28/946174128.db2.gz DLSXLNSZVWOTMW-VOJFVSQTSA-N -1 3 390.411 0.645 20 30 GCEDHM C[C@]12CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]1CN(c1nccnc1C#N)C2 ZINC001571296202 946186820 /nfs/dbraw/zinc/18/68/20/946186820.db2.gz QIZYTFPEYSVNON-ZMZPIMSZSA-N -1 3 390.411 0.455 20 30 GCEDHM C[C@]12CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]1CN(c1nccnc1C#N)C2 ZINC001571296202 946186831 /nfs/dbraw/zinc/18/68/31/946186831.db2.gz QIZYTFPEYSVNON-ZMZPIMSZSA-N -1 3 390.411 0.455 20 30 GCEDHM CN(C[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccnc(C#N)n1 ZINC001571312565 946496738 /nfs/dbraw/zinc/49/67/38/946496738.db2.gz HMZNFPZWLFYMJS-ZDUSSCGKSA-N -1 3 392.427 0.988 20 30 GCEDHM CN(C[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccnc(C#N)n1 ZINC001571312565 946496744 /nfs/dbraw/zinc/49/67/44/946496744.db2.gz HMZNFPZWLFYMJS-ZDUSSCGKSA-N -1 3 392.427 0.988 20 30 GCEDHM CC1(C)CN(c2cncc(C#N)n2)CC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571313072 946509699 /nfs/dbraw/zinc/50/96/99/946509699.db2.gz MXRUTYAGBRXKJC-CQSZACIVSA-N -1 3 392.427 0.891 20 30 GCEDHM CC1(C)CN(c2cncc(C#N)n2)CC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571313072 946509708 /nfs/dbraw/zinc/50/97/08/946509708.db2.gz MXRUTYAGBRXKJC-CQSZACIVSA-N -1 3 392.427 0.891 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823932065 946520895 /nfs/dbraw/zinc/52/08/95/946520895.db2.gz MUJMYTPABUTDJO-OAHLLOKOSA-N -1 3 390.469 0.553 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823932064 946521348 /nfs/dbraw/zinc/52/13/48/946521348.db2.gz MUJMYTPABUTDJO-HNNXBMFYSA-N -1 3 390.469 0.553 20 30 GCEDHM Cn1nnnc1C1CCN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571313964 946536440 /nfs/dbraw/zinc/53/64/40/946536440.db2.gz YJBQEUAFOSHNFG-OAHLLOKOSA-N -1 3 392.427 0.479 20 30 GCEDHM Cc1cc(C#N)nc(N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C)n1 ZINC001571313915 946538134 /nfs/dbraw/zinc/53/81/34/946538134.db2.gz XIGPECHKXFIUSV-RYUDHWBXSA-N -1 3 392.427 0.952 20 30 GCEDHM Cc1cc(C#N)nc(N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C)n1 ZINC001571313915 946538143 /nfs/dbraw/zinc/53/81/43/946538143.db2.gz XIGPECHKXFIUSV-RYUDHWBXSA-N -1 3 392.427 0.952 20 30 GCEDHM C#CCN(CC#N)C(=O)COc1cccc(Br)c1-c1nnn[n-]1 ZINC001573283431 946715622 /nfs/dbraw/zinc/71/56/22/946715622.db2.gz RZWLEYVQKAZTEP-UHFFFAOYSA-N -1 3 375.186 0.993 20 30 GCEDHM C#CCN(CC#N)C(=O)COc1cccc(Br)c1-c1nn[n-]n1 ZINC001573283431 946715624 /nfs/dbraw/zinc/71/56/24/946715624.db2.gz RZWLEYVQKAZTEP-UHFFFAOYSA-N -1 3 375.186 0.993 20 30 GCEDHM C#CCN(C(=O)c1cncn1C)C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573283739 946725846 /nfs/dbraw/zinc/72/58/46/946725846.db2.gz VFOYLDHNWONFSP-UHFFFAOYSA-N -1 3 391.439 0.740 20 30 GCEDHM C#CCN(C(=O)c1cncn1C)C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573283739 946725853 /nfs/dbraw/zinc/72/58/53/946725853.db2.gz VFOYLDHNWONFSP-UHFFFAOYSA-N -1 3 391.439 0.740 20 30 GCEDHM C#CCC1(C(=O)NC[C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOCC1 ZINC001573284520 946749377 /nfs/dbraw/zinc/74/93/77/946749377.db2.gz FOMODIMJVUGVNL-GFCCVEGCSA-N -1 3 385.428 0.249 20 30 GCEDHM C#CCC1(C(=O)NC[C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOCC1 ZINC001573284520 946749380 /nfs/dbraw/zinc/74/93/80/946749380.db2.gz FOMODIMJVUGVNL-GFCCVEGCSA-N -1 3 385.428 0.249 20 30 GCEDHM C#CCCCC(=O)NC1(CCO)CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573284851 946760362 /nfs/dbraw/zinc/76/03/62/946760362.db2.gz NKOUKBMVAXCDNY-UHFFFAOYSA-N -1 3 386.431 0.862 20 30 GCEDHM C#CCCCC(=O)NC1(CCO)CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573284851 946760369 /nfs/dbraw/zinc/76/03/69/946760369.db2.gz NKOUKBMVAXCDNY-UHFFFAOYSA-N -1 3 386.431 0.862 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C[C@H]2C1 ZINC001573285639 946783115 /nfs/dbraw/zinc/78/31/15/946783115.db2.gz KBSWKAWGTNVWAJ-OAGGEKHMSA-N -1 3 395.467 0.893 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C[C@H]2C1 ZINC001573285639 946783121 /nfs/dbraw/zinc/78/31/21/946783121.db2.gz KBSWKAWGTNVWAJ-OAGGEKHMSA-N -1 3 395.467 0.893 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573286083 946794463 /nfs/dbraw/zinc/79/44/63/946794463.db2.gz SZCNAXJJQDKVFT-MGPQQGTHSA-N -1 3 399.455 0.448 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573286083 946794469 /nfs/dbraw/zinc/79/44/69/946794469.db2.gz SZCNAXJJQDKVFT-MGPQQGTHSA-N -1 3 399.455 0.448 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N(C)CCN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573286058 946794755 /nfs/dbraw/zinc/79/47/55/946794755.db2.gz SNOFRQVYQVLVKU-ZDUSSCGKSA-N -1 3 387.444 0.542 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N(C)CCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573286058 946794765 /nfs/dbraw/zinc/79/47/65/946794765.db2.gz SNOFRQVYQVLVKU-ZDUSSCGKSA-N -1 3 387.444 0.542 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573286143 946797632 /nfs/dbraw/zinc/79/76/32/946797632.db2.gz USBNPFHVHAGFDV-UGSOOPFHSA-N -1 3 385.428 0.065 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573286143 946797637 /nfs/dbraw/zinc/79/76/37/946797637.db2.gz USBNPFHVHAGFDV-UGSOOPFHSA-N -1 3 385.428 0.065 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NCCN(CCC)c1ccc(-c2nn[n-]n2)cn1 ZINC001573286229 946799635 /nfs/dbraw/zinc/79/96/35/946799635.db2.gz WSEKBNXQXCQYFK-INIZCTEOSA-N -1 3 382.472 0.692 20 30 GCEDHM C#CCO[C@H](C)C(=O)N[C@@](C)(CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573286221 946801006 /nfs/dbraw/zinc/80/10/06/946801006.db2.gz WOWGWJWDERMIDE-ZMZPIMSZSA-N -1 3 385.428 0.248 20 30 GCEDHM C#CCO[C@H](C)C(=O)N[C@@](C)(CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573286221 946801025 /nfs/dbraw/zinc/80/10/25/946801025.db2.gz WOWGWJWDERMIDE-ZMZPIMSZSA-N -1 3 385.428 0.248 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001573286353 946803681 /nfs/dbraw/zinc/80/36/81/946803681.db2.gz ZLUSPSJPFIAUSN-HIFRSBDPSA-N -1 3 383.460 0.307 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001573286353 946803694 /nfs/dbraw/zinc/80/36/94/946803694.db2.gz ZLUSPSJPFIAUSN-HIFRSBDPSA-N -1 3 383.460 0.307 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NC[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573286603 946816064 /nfs/dbraw/zinc/81/60/64/946816064.db2.gz FZYBKLOBWBNPFL-RYUDHWBXSA-N -1 3 375.458 0.612 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573287618 946843187 /nfs/dbraw/zinc/84/31/87/946843187.db2.gz OERGOVXLXZRLMR-CMPLNLGQSA-N -1 3 375.820 0.648 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573287618 946843199 /nfs/dbraw/zinc/84/31/99/946843199.db2.gz OERGOVXLXZRLMR-CMPLNLGQSA-N -1 3 375.820 0.648 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc1 ZINC001573287758 946845374 /nfs/dbraw/zinc/84/53/74/946845374.db2.gz KUQDQJVCMTXLLE-QWRGUYRKSA-N -1 3 378.396 0.508 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc1 ZINC001573287758 946845384 /nfs/dbraw/zinc/84/53/84/946845384.db2.gz KUQDQJVCMTXLLE-QWRGUYRKSA-N -1 3 378.396 0.508 20 30 GCEDHM C#CCOCCC(=O)N[C@@](C)(CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573288165 946857540 /nfs/dbraw/zinc/85/75/40/946857540.db2.gz SEBFDSCRKHUHGA-SFHVURJKSA-N -1 3 385.428 0.249 20 30 GCEDHM C#CCOCCC(=O)N[C@@](C)(CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573288165 946857549 /nfs/dbraw/zinc/85/75/49/946857549.db2.gz SEBFDSCRKHUHGA-SFHVURJKSA-N -1 3 385.428 0.249 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@@H]2CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)nc1 ZINC001573288485 946867376 /nfs/dbraw/zinc/86/73/76/946867376.db2.gz QWXHDWYPMPLBGJ-CYBMUJFWSA-N -1 3 390.407 0.558 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@@H]2CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)nc1 ZINC001573288485 946867386 /nfs/dbraw/zinc/86/73/86/946867386.db2.gz QWXHDWYPMPLBGJ-CYBMUJFWSA-N -1 3 390.407 0.558 20 30 GCEDHM C#CCOCCC(=O)NC1(CCO)CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573288575 946869526 /nfs/dbraw/zinc/86/95/26/946869526.db2.gz WFAQXDOCIYUDRZ-UHFFFAOYSA-N -1 3 390.469 0.021 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)C[C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc1 ZINC001573288585 946870826 /nfs/dbraw/zinc/87/08/26/946870826.db2.gz NAPUDRMVDONYGC-NSHDSACASA-N -1 3 378.396 0.462 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)C[C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc1 ZINC001573288585 946870839 /nfs/dbraw/zinc/87/08/39/946870839.db2.gz NAPUDRMVDONYGC-NSHDSACASA-N -1 3 378.396 0.462 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@H]2CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001573288855 946879297 /nfs/dbraw/zinc/87/92/97/946879297.db2.gz UTXZEDVWBPNFME-HNNXBMFYSA-N -1 3 390.407 0.558 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@H]2CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001573288855 946879305 /nfs/dbraw/zinc/87/93/05/946879305.db2.gz UTXZEDVWBPNFME-HNNXBMFYSA-N -1 3 390.407 0.558 20 30 GCEDHM C#CCOCCC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573289002 946882221 /nfs/dbraw/zinc/88/22/21/946882221.db2.gz ZSWYQYOVQNQIEL-GFCCVEGCSA-N -1 3 375.820 0.650 20 30 GCEDHM C#CCOCCC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573289002 946882230 /nfs/dbraw/zinc/88/22/30/946882230.db2.gz ZSWYQYOVQNQIEL-GFCCVEGCSA-N -1 3 375.820 0.650 20 30 GCEDHM C#Cc1cncc(C(=O)NCCC[C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001573291439 946920096 /nfs/dbraw/zinc/92/00/96/946920096.db2.gz CRPGRLDXNNMWKA-LBPRGKRZSA-N -1 3 392.423 0.900 20 30 GCEDHM C#Cc1cncc(C(=O)NCCC[C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001573291439 946920101 /nfs/dbraw/zinc/92/01/01/946920101.db2.gz CRPGRLDXNNMWKA-LBPRGKRZSA-N -1 3 392.423 0.900 20 30 GCEDHM C#Cc1cncc(C(=O)NC[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001573291817 946924914 /nfs/dbraw/zinc/92/49/14/946924914.db2.gz JSOPFOZYXBPWDN-CYBMUJFWSA-N -1 3 390.407 0.463 20 30 GCEDHM C#Cc1cncc(C(=O)NC[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001573291817 946924923 /nfs/dbraw/zinc/92/49/23/946924923.db2.gz JSOPFOZYXBPWDN-CYBMUJFWSA-N -1 3 390.407 0.463 20 30 GCEDHM C#Cc1cncc(C(=O)NC2(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCC2)c1 ZINC001573292401 946932964 /nfs/dbraw/zinc/93/29/64/946932964.db2.gz VLOIMBKTBLZVGV-UHFFFAOYSA-N -1 3 390.407 0.654 20 30 GCEDHM C#Cc1cncc(C(=O)NC2(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCC2)c1 ZINC001573292401 946932967 /nfs/dbraw/zinc/93/29/67/946932967.db2.gz VLOIMBKTBLZVGV-UHFFFAOYSA-N -1 3 390.407 0.654 20 30 GCEDHM C#Cc1cncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001573292697 946938805 /nfs/dbraw/zinc/93/88/05/946938805.db2.gz ZPZWWJRYCXNFAA-VIKVFOODSA-N -1 3 388.391 0.072 20 30 GCEDHM C#Cc1cncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001573292697 946938815 /nfs/dbraw/zinc/93/88/15/946938815.db2.gz ZPZWWJRYCXNFAA-VIKVFOODSA-N -1 3 388.391 0.072 20 30 GCEDHM C=C(C)[C@@H](CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)OCC ZINC001573292850 946940320 /nfs/dbraw/zinc/94/03/20/946940320.db2.gz DZVODWMHOWEWJR-UKRRQHHQSA-N -1 3 387.444 0.897 20 30 GCEDHM C=C(C)[C@@H](CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)OCC ZINC001573292850 946940323 /nfs/dbraw/zinc/94/03/23/946940323.db2.gz DZVODWMHOWEWJR-UKRRQHHQSA-N -1 3 387.444 0.897 20 30 GCEDHM C=C(C)[C@H](CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)OCC ZINC001573292849 946940629 /nfs/dbraw/zinc/94/06/29/946940629.db2.gz DZVODWMHOWEWJR-HIFRSBDPSA-N -1 3 387.444 0.897 20 30 GCEDHM C=C(C)[C@H](CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)OCC ZINC001573292849 946940632 /nfs/dbraw/zinc/94/06/32/946940632.db2.gz DZVODWMHOWEWJR-HIFRSBDPSA-N -1 3 387.444 0.897 20 30 GCEDHM C[C@H](C#N)C(=O)N(C)CCOCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573560625 946953788 /nfs/dbraw/zinc/95/37/88/946953788.db2.gz DTSGPDIKBDYANM-SNVBAGLBSA-N -1 3 378.824 0.962 20 30 GCEDHM C[C@H](C#N)C(=O)N(C)CCOCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573560625 946953802 /nfs/dbraw/zinc/95/38/02/946953802.db2.gz DTSGPDIKBDYANM-SNVBAGLBSA-N -1 3 378.824 0.962 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1-c1nnn[n-]1)CCO2 ZINC001573563522 946983492 /nfs/dbraw/zinc/98/34/92/946983492.db2.gz AMENSVKZKZFCPI-KPZWWZAWSA-N -1 3 385.403 0.973 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1-c1nn[n-]n1)CCO2 ZINC001573563522 946983498 /nfs/dbraw/zinc/98/34/98/946983498.db2.gz AMENSVKZKZFCPI-KPZWWZAWSA-N -1 3 385.403 0.973 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@](C)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573294571 946992293 /nfs/dbraw/zinc/99/22/93/946992293.db2.gz IENSWNABCFZFKK-VRHCTWJESA-N -1 3 399.455 0.897 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@](C)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573294571 946992300 /nfs/dbraw/zinc/99/23/00/946992300.db2.gz IENSWNABCFZFKK-VRHCTWJESA-N -1 3 399.455 0.897 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC2(CC1)CN(c1ncccc1-c1nnn[n-]1)CCO2 ZINC001573564642 946995033 /nfs/dbraw/zinc/99/50/33/946995033.db2.gz JYASNSIKAITHPL-CYBMUJFWSA-N -1 3 382.428 0.619 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC2(CC1)CN(c1ncccc1-c1nn[n-]n1)CCO2 ZINC001573564642 946995041 /nfs/dbraw/zinc/99/50/41/946995041.db2.gz JYASNSIKAITHPL-CYBMUJFWSA-N -1 3 382.428 0.619 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC(N(CCO)c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573565148 947002872 /nfs/dbraw/zinc/00/28/72/947002872.db2.gz NRYHAAWMFWSVAP-LLVKDONJSA-N -1 3 388.407 0.350 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC(N(CCO)c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573565148 947002880 /nfs/dbraw/zinc/00/28/80/947002880.db2.gz NRYHAAWMFWSVAP-LLVKDONJSA-N -1 3 388.407 0.350 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](CC)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573295136 947009121 /nfs/dbraw/zinc/00/91/21/947009121.db2.gz NTXPZLXLOQQEIT-IPYPFGDCSA-N -1 3 387.444 0.801 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](CC)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573295136 947009129 /nfs/dbraw/zinc/00/91/29/947009129.db2.gz NTXPZLXLOQQEIT-IPYPFGDCSA-N -1 3 387.444 0.801 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573295164 947010286 /nfs/dbraw/zinc/01/02/86/947010286.db2.gz OKTNEWDOLSLCPK-ZUEVXXBESA-N -1 3 399.455 0.897 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573295164 947010297 /nfs/dbraw/zinc/01/02/97/947010297.db2.gz OKTNEWDOLSLCPK-ZUEVXXBESA-N -1 3 399.455 0.897 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573565991 947018254 /nfs/dbraw/zinc/01/82/54/947018254.db2.gz YSTPNIOKQPWBTR-KOLCDFICSA-N -1 3 392.370 0.568 20 30 GCEDHM C=C(Cl)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573296127 947041562 /nfs/dbraw/zinc/04/15/62/947041562.db2.gz YSHBTTPHMAZOTM-SECBINFHSA-N -1 3 381.824 0.180 20 30 GCEDHM C=C(Cl)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573296127 947041578 /nfs/dbraw/zinc/04/15/78/947041578.db2.gz YSHBTTPHMAZOTM-SECBINFHSA-N -1 3 381.824 0.180 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC[C@H](N(CCO)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573567524 947046007 /nfs/dbraw/zinc/04/60/07/947046007.db2.gz NZMZYYBDGTUFKH-AAEUAGOBSA-N -1 3 388.407 0.350 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC[C@H](N(CCO)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573567524 947046015 /nfs/dbraw/zinc/04/60/15/947046015.db2.gz NZMZYYBDGTUFKH-AAEUAGOBSA-N -1 3 388.407 0.350 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CC2 ZINC001573567465 947046573 /nfs/dbraw/zinc/04/65/73/947046573.db2.gz NLFFQUFAMWHRLQ-LBPRGKRZSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC[C@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001573567931 947059243 /nfs/dbraw/zinc/05/92/43/947059243.db2.gz UYGOCTDWAFZCCS-XIKOKIGWSA-N -1 3 382.428 0.809 20 30 GCEDHM C=C(C)C[C@H](C)C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573298127 947070064 /nfs/dbraw/zinc/07/00/64/947070064.db2.gz BAXFBBLXGGQLMP-LBPRGKRZSA-N -1 3 387.444 0.490 20 30 GCEDHM C=C(C)C[C@H](C)C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573298127 947070075 /nfs/dbraw/zinc/07/00/75/947070075.db2.gz BAXFBBLXGGQLMP-LBPRGKRZSA-N -1 3 387.444 0.490 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CCCNc1ncccc1-c1nnn[n-]1 ZINC001573299197 947089114 /nfs/dbraw/zinc/08/91/14/947089114.db2.gz INEQCNNCHJEXEJ-HNNXBMFYSA-N -1 3 386.460 0.993 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CCCNc1ncccc1-c1nn[n-]n1 ZINC001573299197 947089128 /nfs/dbraw/zinc/08/91/28/947089128.db2.gz INEQCNNCHJEXEJ-HNNXBMFYSA-N -1 3 386.460 0.993 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCOC2(CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001573570839 947094255 /nfs/dbraw/zinc/09/42/55/947094255.db2.gz VAPFWJJQAPKSRH-ZDUSSCGKSA-N -1 3 382.428 0.619 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCOC2(CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001573570839 947094261 /nfs/dbraw/zinc/09/42/61/947094261.db2.gz VAPFWJJQAPKSRH-ZDUSSCGKSA-N -1 3 382.428 0.619 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCOC2(CN(Cc3cc(F)ccc3-c3nn[n-]n3)C2)C1 ZINC001573570814 947094566 /nfs/dbraw/zinc/09/45/66/947094566.db2.gz UKSTYMUOHJNJOB-GFCCVEGCSA-N -1 3 385.403 0.579 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccccc1 ZINC001573572003 947106802 /nfs/dbraw/zinc/10/68/02/947106802.db2.gz CTFDXVHDLVQJSI-IAQYHMDHSA-N -1 3 378.396 0.942 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccccc1 ZINC001573572003 947106805 /nfs/dbraw/zinc/10/68/05/947106805.db2.gz CTFDXVHDLVQJSI-IAQYHMDHSA-N -1 3 378.396 0.942 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573573113 947118850 /nfs/dbraw/zinc/11/88/50/947118850.db2.gz MPJJWPABMYUYOE-BZNIZROVSA-N -1 3 375.458 0.531 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573573106 947119412 /nfs/dbraw/zinc/11/94/12/947119412.db2.gz MPHVXUBQRTVTIT-SGTLLEGYSA-N -1 3 387.419 0.609 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573300871 947123453 /nfs/dbraw/zinc/12/34/53/947123453.db2.gz VVSSWJMHRIDIEM-XJKSGUPXSA-N -1 3 384.444 0.428 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573300871 947123462 /nfs/dbraw/zinc/12/34/62/947123462.db2.gz VVSSWJMHRIDIEM-XJKSGUPXSA-N -1 3 384.444 0.428 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)NCCN(CC)c1ccc(-c2nnn[n-]2)cn1 ZINC001573300878 947124085 /nfs/dbraw/zinc/12/40/85/947124085.db2.gz WEROKUSFWYVNSE-HNNXBMFYSA-N -1 3 386.460 0.675 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)NCCN(CC)c1ccc(-c2nn[n-]n2)cn1 ZINC001573300878 947124091 /nfs/dbraw/zinc/12/40/91/947124091.db2.gz WEROKUSFWYVNSE-HNNXBMFYSA-N -1 3 386.460 0.675 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN(CC)c1ccc(-c2nnn[n-]2)cn1 ZINC001573300879 947124870 /nfs/dbraw/zinc/12/48/70/947124870.db2.gz WEROKUSFWYVNSE-OAHLLOKOSA-N -1 3 386.460 0.675 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN(CC)c1ccc(-c2nn[n-]n2)cn1 ZINC001573300879 947124879 /nfs/dbraw/zinc/12/48/79/947124879.db2.gz WEROKUSFWYVNSE-OAHLLOKOSA-N -1 3 386.460 0.675 20 30 GCEDHM C=C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)c1ccccc1 ZINC001573300929 947124945 /nfs/dbraw/zinc/12/49/45/947124945.db2.gz PLZCEEUGVZHGHR-KBAYOESNSA-N -1 3 391.435 0.897 20 30 GCEDHM C=C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)c1ccccc1 ZINC001573300929 947124946 /nfs/dbraw/zinc/12/49/46/947124946.db2.gz PLZCEEUGVZHGHR-KBAYOESNSA-N -1 3 391.435 0.897 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573574672 947132521 /nfs/dbraw/zinc/13/25/21/947132521.db2.gz STMPWOXRBIHSGO-KZULUSFZSA-N -1 3 387.419 0.609 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@H]1CCC2(CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)O1 ZINC001573577139 947161656 /nfs/dbraw/zinc/16/16/56/947161656.db2.gz MQEZXLWILPOWJB-CJNGLKHVSA-N -1 3 381.440 0.876 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H]1CCC2(CN(Cc3ccc(-c4nnn[n-]4)s3)C2)O1 ZINC001573577279 947166714 /nfs/dbraw/zinc/16/67/14/947166714.db2.gz OJIDVRQUOXHUFU-VXGBXAGGSA-N -1 3 387.469 0.937 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@H]1CCC2(CN(Cc3ccccc3-c3nn[n-]n3)C2)O1 ZINC001573577447 947168588 /nfs/dbraw/zinc/16/85/88/947168588.db2.gz POHQKSPYYCKXKJ-ZFWWWQNUSA-N -1 3 381.440 0.876 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@H]1CCC2(CN(Cc3cccc(-c4nn[n-]n4)c3)C2)O1 ZINC001573577883 947175362 /nfs/dbraw/zinc/17/53/62/947175362.db2.gz UUIKXTWSTKZPRY-CJNGLKHVSA-N -1 3 381.440 0.876 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@H]1COC2(CN(Cc3cc(F)ccc3-c3nn[n-]n3)C2)C1 ZINC001573578070 947180376 /nfs/dbraw/zinc/18/03/76/947180376.db2.gz XTUOXBOKGGTEGT-RISCZKNCSA-N -1 3 385.403 0.625 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001573308966 947187471 /nfs/dbraw/zinc/18/74/71/947187471.db2.gz AHHHKPJGWBCWLG-QGZVFWFLSA-N -1 3 385.428 0.196 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573308966 947187483 /nfs/dbraw/zinc/18/74/83/947187483.db2.gz AHHHKPJGWBCWLG-QGZVFWFLSA-N -1 3 385.428 0.196 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CC[C@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573309013 947189455 /nfs/dbraw/zinc/18/94/55/947189455.db2.gz BDJDJGVOFZDRLG-MSOLQXFVSA-N -1 3 387.444 0.490 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CC[C@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573309013 947189464 /nfs/dbraw/zinc/18/94/64/947189464.db2.gz BDJDJGVOFZDRLG-MSOLQXFVSA-N -1 3 387.444 0.490 20 30 GCEDHM C=C[C@](C)(O)CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573309319 947196590 /nfs/dbraw/zinc/19/65/90/947196590.db2.gz GSRUKBDNEZKFTF-SRBZOADZSA-N -1 3 387.444 0.537 20 30 GCEDHM C=C[C@](C)(O)CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573309319 947196597 /nfs/dbraw/zinc/19/65/97/947196597.db2.gz GSRUKBDNEZKFTF-SRBZOADZSA-N -1 3 387.444 0.537 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001573309430 947198326 /nfs/dbraw/zinc/19/83/26/947198326.db2.gz IUXZECHJLSCZNW-UCMVZMLTSA-N -1 3 385.428 0.195 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001573309430 947198332 /nfs/dbraw/zinc/19/83/32/947198332.db2.gz IUXZECHJLSCZNW-UCMVZMLTSA-N -1 3 385.428 0.195 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001573309429 947199065 /nfs/dbraw/zinc/19/90/65/947199065.db2.gz IUXZECHJLSCZNW-FVMIAERFSA-N -1 3 385.428 0.195 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001573309429 947199071 /nfs/dbraw/zinc/19/90/71/947199071.db2.gz IUXZECHJLSCZNW-FVMIAERFSA-N -1 3 385.428 0.195 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1(F)F ZINC001573583136 947201580 /nfs/dbraw/zinc/20/15/80/947201580.db2.gz KBVVFKUZCXDISG-UWVGGRQHSA-N -1 3 392.370 0.568 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1(F)F ZINC001573583136 947201586 /nfs/dbraw/zinc/20/15/86/947201586.db2.gz KBVVFKUZCXDISG-UWVGGRQHSA-N -1 3 392.370 0.568 20 30 GCEDHM CCOC(=O)Cc1csc(NC(=O)Cn2cnc(C#N)c2-c2nnn[n-]2)n1 ZINC000825517892 947210478 /nfs/dbraw/zinc/21/04/78/947210478.db2.gz PKZLIIGNTYOPEP-UHFFFAOYSA-N -1 3 387.385 0.136 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N(CC)[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573310063 947216079 /nfs/dbraw/zinc/21/60/79/947216079.db2.gz SBPFDSOBBZVZJN-DIFFPNOSSA-N -1 3 375.433 0.489 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N(CC)[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573310063 947216094 /nfs/dbraw/zinc/21/60/94/947216094.db2.gz SBPFDSOBBZVZJN-DIFFPNOSSA-N -1 3 375.433 0.489 20 30 GCEDHM C=C[C@](C)(O)CC(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCC1 ZINC001573310210 947217551 /nfs/dbraw/zinc/21/75/51/947217551.db2.gz UXQSQBSHDZVKJK-KRWDZBQOSA-N -1 3 387.444 0.681 20 30 GCEDHM C=C[C@](C)(O)CC(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCC1 ZINC001573310210 947217557 /nfs/dbraw/zinc/21/75/57/947217557.db2.gz UXQSQBSHDZVKJK-KRWDZBQOSA-N -1 3 387.444 0.681 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CCCO1 ZINC001573584291 947217751 /nfs/dbraw/zinc/21/77/51/947217751.db2.gz SQYJJRPWNGUHTO-OCCSQVGLSA-N -1 3 387.419 0.873 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N(C)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573310259 947220238 /nfs/dbraw/zinc/22/02/38/947220238.db2.gz VTLVGJBRLBQDDQ-SJCJKPOMSA-N -1 3 375.408 0.765 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N(C)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573310259 947220248 /nfs/dbraw/zinc/22/02/48/947220248.db2.gz VTLVGJBRLBQDDQ-SJCJKPOMSA-N -1 3 375.408 0.765 20 30 GCEDHM C=C[C@](C)(O)CC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573310334 947220584 /nfs/dbraw/zinc/22/05/84/947220584.db2.gz WOAZOXCGBWSOLN-XIKOKIGWSA-N -1 3 387.444 0.633 20 30 GCEDHM C=C[C@](C)(O)CC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573310334 947220594 /nfs/dbraw/zinc/22/05/94/947220594.db2.gz WOAZOXCGBWSOLN-XIKOKIGWSA-N -1 3 387.444 0.633 20 30 GCEDHM C=C[C@@H](CC)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573315959 947264272 /nfs/dbraw/zinc/26/42/72/947264272.db2.gz RENZWCPCLZGVMP-QWHCGFSZSA-N -1 3 389.460 0.688 20 30 GCEDHM C=C[C@@H](CC)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573315959 947264280 /nfs/dbraw/zinc/26/42/80/947264280.db2.gz RENZWCPCLZGVMP-QWHCGFSZSA-N -1 3 389.460 0.688 20 30 GCEDHM C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573317313 947296620 /nfs/dbraw/zinc/29/66/20/947296620.db2.gz NLXMEBBHRRIDQQ-NWDGAFQWSA-N -1 3 375.433 0.204 20 30 GCEDHM C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573317313 947296627 /nfs/dbraw/zinc/29/66/27/947296627.db2.gz NLXMEBBHRRIDQQ-NWDGAFQWSA-N -1 3 375.433 0.204 20 30 GCEDHM CN(CCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)c1ccc(C#N)[nH]1 ZINC000825919188 947370464 /nfs/dbraw/zinc/37/04/64/947370464.db2.gz XJHOYPJBLKGWCG-UHFFFAOYSA-N -1 3 381.400 0.629 20 30 GCEDHM CN(CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)c1ccc(C#N)[nH]1 ZINC000825919188 947370477 /nfs/dbraw/zinc/37/04/77/947370477.db2.gz XJHOYPJBLKGWCG-UHFFFAOYSA-N -1 3 381.400 0.629 20 30 GCEDHM CN(CCCc1[nH]nc(N)c1C#N)C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000825938005 947378334 /nfs/dbraw/zinc/37/83/34/947378334.db2.gz MDCPQYINSOFCCB-UHFFFAOYSA-N -1 3 381.400 0.514 20 30 GCEDHM CN(CCCc1[nH]nc(N)c1C#N)C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000825938005 947378345 /nfs/dbraw/zinc/37/83/45/947378345.db2.gz MDCPQYINSOFCCB-UHFFFAOYSA-N -1 3 381.400 0.514 20 30 GCEDHM C=CCC(CC=C)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001573326983 947382147 /nfs/dbraw/zinc/38/21/47/947382147.db2.gz ZSBHOOPKHHGVCJ-CABCVRRESA-N -1 3 385.428 0.265 20 30 GCEDHM C=CCC(CC=C)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001573326983 947382160 /nfs/dbraw/zinc/38/21/60/947382160.db2.gz ZSBHOOPKHHGVCJ-CABCVRRESA-N -1 3 385.428 0.265 20 30 GCEDHM C=CCCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)c1cc(-c3nnn[n-]3)c[nH]1)O2 ZINC001573329007 947416892 /nfs/dbraw/zinc/41/68/92/947416892.db2.gz GFNBSTSERXOISB-ZDUSSCGKSA-N -1 3 385.428 0.651 20 30 GCEDHM C=CCCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)c1cc(-c3nn[n-]n3)c[nH]1)O2 ZINC001573329007 947416897 /nfs/dbraw/zinc/41/68/97/947416897.db2.gz GFNBSTSERXOISB-ZDUSSCGKSA-N -1 3 385.428 0.651 20 30 GCEDHM C=CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)CCO2 ZINC001573329415 947421606 /nfs/dbraw/zinc/42/16/06/947421606.db2.gz JNBWPALGVSXFFE-GOSISDBHSA-N -1 3 385.428 0.605 20 30 GCEDHM C=CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CCO2 ZINC001573329415 947421614 /nfs/dbraw/zinc/42/16/14/947421614.db2.gz JNBWPALGVSXFFE-GOSISDBHSA-N -1 3 385.428 0.605 20 30 GCEDHM C=CCC1(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2O)CCC1 ZINC001573329681 947425335 /nfs/dbraw/zinc/42/53/35/947425335.db2.gz NIJDHVGELKKOSN-KGLIPLIRSA-N -1 3 385.428 0.243 20 30 GCEDHM C=CCC1(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2O)CCC1 ZINC001573329681 947425342 /nfs/dbraw/zinc/42/53/42/947425342.db2.gz NIJDHVGELKKOSN-KGLIPLIRSA-N -1 3 385.428 0.243 20 30 GCEDHM C=CCCCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573334381 947453545 /nfs/dbraw/zinc/45/35/45/947453545.db2.gz MPNDHCOHTHIXTK-CYBMUJFWSA-N -1 3 375.433 0.442 20 30 GCEDHM C=CCCCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573334381 947453551 /nfs/dbraw/zinc/45/35/51/947453551.db2.gz MPNDHCOHTHIXTK-CYBMUJFWSA-N -1 3 375.433 0.442 20 30 GCEDHM C=CCCCC(=O)NCCCN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573335538 947482379 /nfs/dbraw/zinc/48/23/79/947482379.db2.gz REEVYPHFFNXKAC-UHFFFAOYSA-N -1 3 385.476 0.641 20 30 GCEDHM C=CCCCC(=O)NCCCN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573335538 947482385 /nfs/dbraw/zinc/48/23/85/947482385.db2.gz REEVYPHFFNXKAC-UHFFFAOYSA-N -1 3 385.476 0.641 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573335695 947488432 /nfs/dbraw/zinc/48/84/32/947488432.db2.gz CLOPKHOEMRSTEP-HIFRSBDPSA-N -1 3 387.444 0.882 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573335695 947488438 /nfs/dbraw/zinc/48/84/38/947488438.db2.gz CLOPKHOEMRSTEP-HIFRSBDPSA-N -1 3 387.444 0.882 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573336200 947504619 /nfs/dbraw/zinc/50/46/19/947504619.db2.gz LAUCKIPJDPSXKK-JSGCOSHPSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573336200 947504632 /nfs/dbraw/zinc/50/46/32/947504632.db2.gz LAUCKIPJDPSXKK-JSGCOSHPSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCOCC(=O)N1CCC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573336527 947506323 /nfs/dbraw/zinc/50/63/23/947506323.db2.gz OOCJVQMDBQZWDC-CYBMUJFWSA-N -1 3 387.444 0.756 20 30 GCEDHM C=CCCOCC(=O)N1CCC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573336527 947506331 /nfs/dbraw/zinc/50/63/31/947506331.db2.gz OOCJVQMDBQZWDC-CYBMUJFWSA-N -1 3 387.444 0.756 20 30 GCEDHM C=CCOCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573343026 947549050 /nfs/dbraw/zinc/54/90/50/947549050.db2.gz ILHNNQPYDIRIHT-GJZGRUSLSA-N -1 3 385.428 0.603 20 30 GCEDHM C=CCOCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573343026 947549058 /nfs/dbraw/zinc/54/90/58/947549058.db2.gz ILHNNQPYDIRIHT-GJZGRUSLSA-N -1 3 385.428 0.603 20 30 GCEDHM COc1cc(NC(=O)Cn2cnc(C#N)c2-c2nnn[n-]2)cc(OC)c1OC ZINC000826180364 947558166 /nfs/dbraw/zinc/55/81/66/947558166.db2.gz DPZKNICPWFGFBY-UHFFFAOYSA-N -1 3 384.356 0.599 20 30 GCEDHM C=CCOCCCC(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573347624 947573598 /nfs/dbraw/zinc/57/35/98/947573598.db2.gz FPDZDEQLDCBPNZ-ZDUSSCGKSA-N -1 3 387.444 0.851 20 30 GCEDHM C=CCOCCCC(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573347624 947573611 /nfs/dbraw/zinc/57/36/11/947573611.db2.gz FPDZDEQLDCBPNZ-ZDUSSCGKSA-N -1 3 387.444 0.851 20 30 GCEDHM C=CCOCCCC(=O)N[C@@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573347635 947574220 /nfs/dbraw/zinc/57/42/20/947574220.db2.gz FUAOFUAAQRPBBQ-SFHVURJKSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCOCCCC(=O)N[C@@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573347635 947574231 /nfs/dbraw/zinc/57/42/31/947574231.db2.gz FUAOFUAAQRPBBQ-SFHVURJKSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573348952 947588569 /nfs/dbraw/zinc/58/85/69/947588569.db2.gz XDXASWYRGCAXBT-ZDUSSCGKSA-N -1 3 387.444 0.756 20 30 GCEDHM C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573348952 947588574 /nfs/dbraw/zinc/58/85/74/947588574.db2.gz XDXASWYRGCAXBT-ZDUSSCGKSA-N -1 3 387.444 0.756 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573350296 947593815 /nfs/dbraw/zinc/59/38/15/947593815.db2.gz CJOZOMINHVVPLJ-YUELXQCFSA-N -1 3 385.428 0.411 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573350296 947593826 /nfs/dbraw/zinc/59/38/26/947593826.db2.gz CJOZOMINHVVPLJ-YUELXQCFSA-N -1 3 385.428 0.411 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573350338 947594173 /nfs/dbraw/zinc/59/41/73/947594173.db2.gz DBPYRKGKGDDKBB-JMSVASOKSA-N -1 3 385.428 0.507 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573350338 947594178 /nfs/dbraw/zinc/59/41/78/947594178.db2.gz DBPYRKGKGDDKBB-JMSVASOKSA-N -1 3 385.428 0.507 20 30 GCEDHM C=CCn1cc(C(=O)NCCN(CCC)c2ncccc2-c2nnn[n-]2)nn1 ZINC001573350675 947600859 /nfs/dbraw/zinc/60/08/59/947600859.db2.gz IPHSWAGVIWMUEK-UHFFFAOYSA-N -1 3 382.432 0.686 20 30 GCEDHM C=CCn1cc(C(=O)NCCN(CCC)c2ncccc2-c2nn[n-]n2)nn1 ZINC001573350675 947600861 /nfs/dbraw/zinc/60/08/61/947600861.db2.gz IPHSWAGVIWMUEK-UHFFFAOYSA-N -1 3 382.432 0.686 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573350738 947601072 /nfs/dbraw/zinc/60/10/72/947601072.db2.gz FJYVXANQHHLBIS-ZBFHGGJFSA-N -1 3 399.455 0.754 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573350738 947601079 /nfs/dbraw/zinc/60/10/79/947601079.db2.gz FJYVXANQHHLBIS-ZBFHGGJFSA-N -1 3 399.455 0.754 20 30 GCEDHM COc1ccc(OC)c([C@H](C)NC(=O)Cn2cnc(C#N)c2-c2nnn[n-]2)c1 ZINC000826210940 947616885 /nfs/dbraw/zinc/61/68/85/947616885.db2.gz KJHWDWHMEZDBNJ-JTQLQIEISA-N -1 3 382.384 0.829 20 30 GCEDHM C=CCn1cc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nn1 ZINC001573352028 947623411 /nfs/dbraw/zinc/62/34/11/947623411.db2.gz YNTMEEGNRTYGCW-UHFFFAOYSA-N -1 3 380.416 0.438 20 30 GCEDHM C=CCn1cc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nn1 ZINC001573352028 947623419 /nfs/dbraw/zinc/62/34/19/947623419.db2.gz YNTMEEGNRTYGCW-UHFFFAOYSA-N -1 3 380.416 0.438 20 30 GCEDHM CC#CCCCC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001573358929 947674523 /nfs/dbraw/zinc/67/45/23/947674523.db2.gz MMMNOCCUWDNTSX-QKDCVEJESA-N -1 3 381.440 0.823 20 30 GCEDHM CC#CCCCC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001573358929 947674529 /nfs/dbraw/zinc/67/45/29/947674529.db2.gz MMMNOCCUWDNTSX-QKDCVEJESA-N -1 3 381.440 0.823 20 30 GCEDHM N#Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c[nH]1 ZINC000826383718 948184604 /nfs/dbraw/zinc/18/46/04/948184604.db2.gz NDKVHDAGWINIMU-QMTHXVAHSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c[nH]1 ZINC000826383718 948184609 /nfs/dbraw/zinc/18/46/09/948184609.db2.gz NDKVHDAGWINIMU-QMTHXVAHSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1cccnc1N1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826387124 948190662 /nfs/dbraw/zinc/19/06/62/948190662.db2.gz HIRUEGJCJLSFLX-MRXNPFEDSA-N -1 3 390.407 0.516 20 30 GCEDHM N#Cc1cccnc1N1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826387124 948190665 /nfs/dbraw/zinc/19/06/65/948190665.db2.gz HIRUEGJCJLSFLX-MRXNPFEDSA-N -1 3 390.407 0.516 20 30 GCEDHM N#Cc1ncn(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)c1-c1nnn[n-]1 ZINC000826388089 948192696 /nfs/dbraw/zinc/19/26/96/948192696.db2.gz IESIVELKFNDNOK-UHFFFAOYSA-N -1 3 381.312 0.012 20 30 GCEDHM N#Cc1ncn(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1-c1nnn[n-]1 ZINC000826388320 948193681 /nfs/dbraw/zinc/19/36/81/948193681.db2.gz RRIVZOFXOPPUKO-UHFFFAOYSA-N -1 3 377.368 0.466 20 30 GCEDHM CC1(Nc2cncc(C#N)n2)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575854074 949230440 /nfs/dbraw/zinc/23/04/40/949230440.db2.gz ZUUHWUQQFGXFBL-UHFFFAOYSA-N -1 3 378.400 0.963 20 30 GCEDHM CC1(Nc2cncc(C#N)n2)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575854074 949230458 /nfs/dbraw/zinc/23/04/58/949230458.db2.gz ZUUHWUQQFGXFBL-UHFFFAOYSA-N -1 3 378.400 0.963 20 30 GCEDHM CC1(Nc2nccnc2C#N)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575857473 949272694 /nfs/dbraw/zinc/27/26/94/949272694.db2.gz RQJVYDPIIAINNU-UHFFFAOYSA-N -1 3 378.400 0.963 20 30 GCEDHM CC1(Nc2nccnc2C#N)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575857473 949272715 /nfs/dbraw/zinc/27/27/15/949272715.db2.gz RQJVYDPIIAINNU-UHFFFAOYSA-N -1 3 378.400 0.963 20 30 GCEDHM CC(C)(C)C#CC(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573793303 949291051 /nfs/dbraw/zinc/29/10/51/949291051.db2.gz OEKUHFDOUFQXMS-ZDUSSCGKSA-N -1 3 385.428 0.202 20 30 GCEDHM CC(C)(C)C#CC(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573793303 949291071 /nfs/dbraw/zinc/29/10/71/949291071.db2.gz OEKUHFDOUFQXMS-ZDUSSCGKSA-N -1 3 385.428 0.202 20 30 GCEDHM CC(C)(C)C#CC(=O)N[C@@]1(CO)CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573793513 949298033 /nfs/dbraw/zinc/29/80/33/949298033.db2.gz STDHZSZQLJIKCO-IBGZPJMESA-N -1 3 383.456 0.759 20 30 GCEDHM CC(C)(C)C#CC(=O)N[C@@]1(CO)CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573793513 949298054 /nfs/dbraw/zinc/29/80/54/949298054.db2.gz STDHZSZQLJIKCO-IBGZPJMESA-N -1 3 383.456 0.759 20 30 GCEDHM C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001574471834 949539330 /nfs/dbraw/zinc/53/93/30/949539330.db2.gz NNOIXEIQOCGEPD-GFCCVEGCSA-N -1 3 390.473 0.920 20 30 GCEDHM C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001574471834 949539349 /nfs/dbraw/zinc/53/93/49/949539349.db2.gz NNOIXEIQOCGEPD-GFCCVEGCSA-N -1 3 390.473 0.920 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1c1cnc(C#N)cn1 ZINC001575882531 949778304 /nfs/dbraw/zinc/77/83/04/949778304.db2.gz MKMHECFIFRUQDI-ZWNOBZJWSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1c1cnc(C#N)cn1 ZINC001575882531 949778318 /nfs/dbraw/zinc/77/83/18/949778318.db2.gz MKMHECFIFRUQDI-ZWNOBZJWSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575887666 949906757 /nfs/dbraw/zinc/90/67/57/949906757.db2.gz OFTUZHXMXGWJBI-ONGXEEELSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575887666 949906766 /nfs/dbraw/zinc/90/67/66/949906766.db2.gz OFTUZHXMXGWJBI-ONGXEEELSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575888328 949916884 /nfs/dbraw/zinc/91/68/84/949916884.db2.gz PNZGWEABMZMKJJ-CABZTGNLSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575888328 949916893 /nfs/dbraw/zinc/91/68/93/949916893.db2.gz PNZGWEABMZMKJJ-CABZTGNLSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575891323 949999420 /nfs/dbraw/zinc/99/94/20/949999420.db2.gz HZQJBPYSQSCVRG-BXKDBHETSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575891323 949999437 /nfs/dbraw/zinc/99/94/37/949999437.db2.gz HZQJBPYSQSCVRG-BXKDBHETSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC#Cc1ccccc1 ZINC001575014473 950902769 /nfs/dbraw/zinc/90/27/69/950902769.db2.gz GFORCZCLTPOJGD-CYBMUJFWSA-N -1 3 377.408 0.871 20 30 GCEDHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC#Cc1ccccc1 ZINC001575014473 950902779 /nfs/dbraw/zinc/90/27/79/950902779.db2.gz GFORCZCLTPOJGD-CYBMUJFWSA-N -1 3 377.408 0.871 20 30 GCEDHM C[C@H](C[C@H](C)NC(=O)c1ccc(C#N)[nH]1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574527762 950904806 /nfs/dbraw/zinc/90/48/06/950904806.db2.gz GTYKEEFKDWAYJK-VHSXEESVSA-N -1 3 381.400 0.721 20 30 GCEDHM C[C@H](C[C@H](C)NC(=O)c1ccc(C#N)[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574527762 950904817 /nfs/dbraw/zinc/90/48/17/950904817.db2.gz GTYKEEFKDWAYJK-VHSXEESVSA-N -1 3 381.400 0.721 20 30 GCEDHM C[C@](CNc1ccc(C#N)nn1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575136922 952131478 /nfs/dbraw/zinc/13/14/78/952131478.db2.gz RVVVJEAUMGNEQL-QGZVFWFLSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@](CNc1ccc(C#N)nn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575136922 952131481 /nfs/dbraw/zinc/13/14/81/952131481.db2.gz RVVVJEAUMGNEQL-QGZVFWFLSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1cncc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(-c4nnn[n-]4)c[nH]2)C3)n1 ZINC001571120785 952509035 /nfs/dbraw/zinc/50/90/35/952509035.db2.gz PWQSIBXPSPXNJF-DYEKYZERSA-N -1 3 376.384 0.396 20 30 GCEDHM N#Cc1cncc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(-c4nn[n-]n4)c[nH]2)C3)n1 ZINC001571120785 952509041 /nfs/dbraw/zinc/50/90/41/952509041.db2.gz PWQSIBXPSPXNJF-DYEKYZERSA-N -1 3 376.384 0.396 20 30 GCEDHM N#Cc1ncc(NCCN2CCN(c3ccccc3)CC2)nc1-c1nnn[n-]1 ZINC001571124034 952533631 /nfs/dbraw/zinc/53/36/31/952533631.db2.gz XSLAYAVGJZHUGF-UHFFFAOYSA-N -1 3 376.428 0.762 20 30 GCEDHM N#Cc1ncc(NCCN2CCN(c3ccccc3)CC2)nc1-c1nn[n-]n1 ZINC001571124034 952533637 /nfs/dbraw/zinc/53/36/37/952533637.db2.gz XSLAYAVGJZHUGF-UHFFFAOYSA-N -1 3 376.428 0.762 20 30 GCEDHM COC(=O)c1nccc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001571130897 952582598 /nfs/dbraw/zinc/58/25/98/952582598.db2.gz XXBJNPSZFOMACA-GFCCVEGCSA-N -1 3 378.352 0.764 20 30 GCEDHM N#Cc1nccnc1N1CCCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571135668 952607167 /nfs/dbraw/zinc/60/71/67/952607167.db2.gz APCBDKSBNMDFDY-LLVKDONJSA-N -1 3 378.400 0.645 20 30 GCEDHM N#Cc1nccnc1N1CCCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571135668 952607170 /nfs/dbraw/zinc/60/71/70/952607170.db2.gz APCBDKSBNMDFDY-LLVKDONJSA-N -1 3 378.400 0.645 20 30 GCEDHM C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1CNc1ccnc(C#N)n1 ZINC001571135817 952608709 /nfs/dbraw/zinc/60/87/09/952608709.db2.gz FHDCXEDZXZQPSB-JQWIXIFHSA-N -1 3 378.400 0.099 20 30 GCEDHM C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1CNc1ccnc(C#N)n1 ZINC001571135817 952608714 /nfs/dbraw/zinc/60/87/14/952608714.db2.gz FHDCXEDZXZQPSB-JQWIXIFHSA-N -1 3 378.400 0.099 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1c1nccnc1C#N ZINC001571136086 952611880 /nfs/dbraw/zinc/61/18/80/952611880.db2.gz MCKILJAVVLXOSJ-WDEREUQCSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1c1nccnc1C#N ZINC001571136086 952611881 /nfs/dbraw/zinc/61/18/81/952611881.db2.gz MCKILJAVVLXOSJ-WDEREUQCSA-N -1 3 378.400 0.644 20 30 GCEDHM CCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCN(c2nccnc2C#N)C1 ZINC001571136023 952612340 /nfs/dbraw/zinc/61/23/40/952612340.db2.gz KWSYNNUQVKPHJR-GFCCVEGCSA-N -1 3 378.400 0.597 20 30 GCEDHM CCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCN(c2nccnc2C#N)C1 ZINC001571136023 952612343 /nfs/dbraw/zinc/61/23/43/952612343.db2.gz KWSYNNUQVKPHJR-GFCCVEGCSA-N -1 3 378.400 0.597 20 30 GCEDHM CCc1nc(C#N)cc(N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571136098 952612836 /nfs/dbraw/zinc/61/28/36/952612836.db2.gz MKZMQKLHUXCVEJ-NSHDSACASA-N -1 3 378.400 0.428 20 30 GCEDHM CCc1nc(C#N)cc(N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571136098 952612838 /nfs/dbraw/zinc/61/28/38/952612838.db2.gz MKZMQKLHUXCVEJ-NSHDSACASA-N -1 3 378.400 0.428 20 30 GCEDHM N#Cc1ccc(NC[C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001571136995 952618468 /nfs/dbraw/zinc/61/84/68/952618468.db2.gz ZDKYBXBIHMWRDN-NSHDSACASA-N -1 3 378.400 0.821 20 30 GCEDHM N#Cc1ccc(NC[C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001571136995 952618472 /nfs/dbraw/zinc/61/84/72/952618472.db2.gz ZDKYBXBIHMWRDN-NSHDSACASA-N -1 3 378.400 0.821 20 30 GCEDHM C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571139129 952619141 /nfs/dbraw/zinc/61/91/41/952619141.db2.gz COGRFFREYKJUSN-NOZJJQNGSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571139129 952619145 /nfs/dbraw/zinc/61/91/45/952619145.db2.gz COGRFFREYKJUSN-NOZJJQNGSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571139132 952619531 /nfs/dbraw/zinc/61/95/31/952619531.db2.gz COGRFFREYKJUSN-ZANVPECISA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571139132 952619534 /nfs/dbraw/zinc/61/95/34/952619534.db2.gz COGRFFREYKJUSN-ZANVPECISA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571141316 952633073 /nfs/dbraw/zinc/63/30/73/952633073.db2.gz XKYZYNFRSJUFPL-JOYOIKCWSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571141316 952633075 /nfs/dbraw/zinc/63/30/75/952633075.db2.gz XKYZYNFRSJUFPL-JOYOIKCWSA-N -1 3 379.384 0.428 20 30 GCEDHM N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c(F)c1 ZINC001571141309 952633091 /nfs/dbraw/zinc/63/30/91/952633091.db2.gz XGYJGPPGNUUUFV-QWRGUYRKSA-N -1 3 379.359 0.704 20 30 GCEDHM N#Cc1cnc(N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c(F)c1 ZINC001571141309 952633093 /nfs/dbraw/zinc/63/30/93/952633093.db2.gz XGYJGPPGNUUUFV-QWRGUYRKSA-N -1 3 379.359 0.704 20 30 GCEDHM N#Cc1cnc(N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c(F)c1 ZINC001571171070 952790747 /nfs/dbraw/zinc/79/07/47/952790747.db2.gz NHUMIFRUTCOCDQ-GFCCVEGCSA-N -1 3 381.375 0.999 20 30 GCEDHM N#Cc1cnc(N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c(F)c1 ZINC001571171070 952790751 /nfs/dbraw/zinc/79/07/51/952790751.db2.gz NHUMIFRUTCOCDQ-GFCCVEGCSA-N -1 3 381.375 0.999 20 30 GCEDHM C=CCOC[C@@H](NCc1ccc(S(N)(=O)=O)c(Br)c1)C(=O)[O-] ZINC001588865911 984421460 /nfs/dbraw/zinc/42/14/60/984421460.db2.gz GCTKJFUECHOZIU-LLVKDONJSA-N -1 3 393.259 0.842 20 30 GCEDHM C[C@H](NC(=O)[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C(=O)[O-] ZINC001599897270 984768904 /nfs/dbraw/zinc/76/89/04/984768904.db2.gz CYLQENDKPRWVNE-KBPBESRZSA-N -1 3 389.456 0.609 20 30 GCEDHM N#Cc1ncn(CC[N-]S(=O)(=O)c2cc(Br)cc3c2OCC3)n1 ZINC000285757084 530124639 /nfs/dbraw/zinc/12/46/39/530124639.db2.gz WXUBGRRJGQHCTH-UHFFFAOYSA-N -1 3 398.242 0.826 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCCCS2(=O)=O)cc1Cl ZINC000408479131 530132239 /nfs/dbraw/zinc/13/22/39/530132239.db2.gz LSEMQNTYZUEONG-GFCCVEGCSA-N -1 3 376.843 0.984 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CCS(=O)(=O)C1 ZINC000283486537 530207132 /nfs/dbraw/zinc/20/71/32/530207132.db2.gz ICIPUCPSQMEIJU-QMMMGPOBSA-N -1 3 379.257 0.786 20 30 GCEDHM N#C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)CCO1 ZINC000264465419 530158476 /nfs/dbraw/zinc/15/84/76/530158476.db2.gz HGGBJAWGZRTWIJ-QMMMGPOBSA-N -1 3 394.272 0.540 20 30 GCEDHM N#C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)CCO1 ZINC000264465415 530158850 /nfs/dbraw/zinc/15/88/50/530158850.db2.gz HGGBJAWGZRTWIJ-MRVPVSSYSA-N -1 3 394.272 0.540 20 30 GCEDHM COC(=O)COCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000599446385 530162642 /nfs/dbraw/zinc/16/26/42/530162642.db2.gz ZTCLEMAOCQVLBV-UHFFFAOYSA-N -1 3 377.216 0.789 20 30 GCEDHM N#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)CC1 ZINC000533689755 530170843 /nfs/dbraw/zinc/17/08/43/530170843.db2.gz IBWXAOOKJWRIJM-UHFFFAOYSA-N -1 3 383.373 0.862 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)[N-]CC(=O)Nc2ccc(F)c(F)c2F)CCO1 ZINC000409547782 530230164 /nfs/dbraw/zinc/23/01/64/530230164.db2.gz FKWMNJYWGRSJLJ-QMMMGPOBSA-N -1 3 378.332 0.101 20 30 GCEDHM C[C@@H]1CSC[C@@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000521271918 530231620 /nfs/dbraw/zinc/23/16/20/530231620.db2.gz OWEFEBBXUJRZRY-MNOVXSKESA-N -1 3 375.497 0.518 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3Cl)C2=O)CCO1 ZINC000410114617 530235236 /nfs/dbraw/zinc/23/52/36/530235236.db2.gz BNFJQYJOIVWWHZ-AAEUAGOBSA-N -1 3 384.845 0.504 20 30 GCEDHM CC[C@](C)(O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C#N ZINC000569470486 530236242 /nfs/dbraw/zinc/23/62/42/530236242.db2.gz CWRCDCVWQWVALV-DOMZBBRYSA-N -1 3 389.499 0.658 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@]1(C)CCCO1 ZINC000569500744 530237275 /nfs/dbraw/zinc/23/72/75/530237275.db2.gz AHVFSNADXYLWIH-WFASDCNBSA-N -1 3 387.483 0.724 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1C[C@H](OC)C1 ZINC000600762351 530241863 /nfs/dbraw/zinc/24/18/63/530241863.db2.gz WIRWDZFOFMQYCZ-AVGNSLFASA-N -1 3 387.483 0.723 20 30 GCEDHM CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCOC[C@H]2C#N)cc1F ZINC000269715726 530246210 /nfs/dbraw/zinc/24/62/10/530246210.db2.gz DOQXEWSOHVQUJE-LLVKDONJSA-N -1 3 391.446 0.889 20 30 GCEDHM CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@H](C#N)C2)cc1F ZINC000269759151 530247507 /nfs/dbraw/zinc/24/75/07/530247507.db2.gz ZYNVLTIAVZYNDG-LLVKDONJSA-N -1 3 391.446 0.889 20 30 GCEDHM CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@@H](C#N)C2)cc1F ZINC000269759153 530247666 /nfs/dbraw/zinc/24/76/66/530247666.db2.gz ZYNVLTIAVZYNDG-NSHDSACASA-N -1 3 391.446 0.889 20 30 GCEDHM N#CC1(CS(=O)(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000558697042 530213519 /nfs/dbraw/zinc/21/35/19/530213519.db2.gz HWCMEDZJMNLPCU-UHFFFAOYSA-N -1 3 395.865 0.981 20 30 GCEDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2cccc(C#N)c2)s1 ZINC000540312344 530255387 /nfs/dbraw/zinc/25/53/87/530255387.db2.gz LKYQWJDFVYYQSZ-UHFFFAOYSA-N -1 3 378.435 0.783 20 30 GCEDHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@@H](C#N)C2)c(OC)c1 ZINC000270508291 530260864 /nfs/dbraw/zinc/26/08/64/530260864.db2.gz OCXCQODBDQLARZ-LBPRGKRZSA-N -1 3 389.455 0.370 20 30 GCEDHM CN(CCC#N)S(=O)(=O)[N-][C@@H]1CN(c2ccc(Br)cc2)C1=O ZINC000490420430 530325148 /nfs/dbraw/zinc/32/51/48/530325148.db2.gz ZDQGDFJWHLOFKJ-GFCCVEGCSA-N -1 3 387.259 0.844 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CC[C@H](O)CC1 ZINC000570826559 530326057 /nfs/dbraw/zinc/32/60/57/530326057.db2.gz GVSRYQPFDMGDOV-JOCQHMNTSA-N -1 3 387.483 0.412 20 30 GCEDHM COC(C)(C)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N ZINC000570867819 530326754 /nfs/dbraw/zinc/32/67/54/530326754.db2.gz VGKSUIGTWDLZAU-UHFFFAOYSA-N -1 3 375.472 0.534 20 30 GCEDHM CCN(CC)S(=O)(=O)CC[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000481034785 530367691 /nfs/dbraw/zinc/36/76/91/530367691.db2.gz GVNLJVVQEAPDFO-UHFFFAOYSA-N -1 3 377.463 0.788 20 30 GCEDHM N#CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)NC[C@@H](O)C2CC2)CC1 ZINC000580217276 530345051 /nfs/dbraw/zinc/34/50/51/530345051.db2.gz YNLYCBQYPHUJJW-GFCCVEGCSA-N -1 3 385.467 0.070 20 30 GCEDHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@](O)(CC#N)C2)cc1F ZINC000592077244 530413030 /nfs/dbraw/zinc/41/30/30/530413030.db2.gz CNMMKIZSOZINSV-CQSZACIVSA-N -1 3 391.446 0.626 20 30 GCEDHM CC[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCOC1 ZINC000594634131 530435785 /nfs/dbraw/zinc/43/57/85/530435785.db2.gz KLUILPIFZGPJBM-OLZOCXBDSA-N -1 3 387.483 0.676 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1CC[C@H](O)C1 ZINC000594633933 530435862 /nfs/dbraw/zinc/43/58/62/530435862.db2.gz ZAESIQNDYOBRHT-STQMWFEESA-N -1 3 387.483 0.270 20 30 GCEDHM C[C@H](CO)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000594634103 530435948 /nfs/dbraw/zinc/43/59/48/530435948.db2.gz ICWLMXSMTGZRCG-RISCZKNCSA-N -1 3 389.499 0.562 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N)[C@H]1CCCCO1 ZINC000594635430 530436699 /nfs/dbraw/zinc/43/66/99/530436699.db2.gz XGJWOCMIPMWJEN-QWHCGFSZSA-N -1 3 387.483 0.724 20 30 GCEDHM N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCC(F)(F)C1 ZINC000594635224 530436726 /nfs/dbraw/zinc/43/67/26/530436726.db2.gz RIHVQZWIDJQKBC-SNVBAGLBSA-N -1 3 379.410 0.955 20 30 GCEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000594636776 530437307 /nfs/dbraw/zinc/43/73/07/530437307.db2.gz PLRZARXHPXTNJY-PHIMTYICSA-N -1 3 393.437 0.948 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCOC[C@H]1C ZINC000594637357 530437343 /nfs/dbraw/zinc/43/73/43/530437343.db2.gz BJECZPIVQACGEO-KGLIPLIRSA-N -1 3 381.520 0.285 20 30 GCEDHM C[C@H]1COCCCN1S(=O)(=O)CCCS(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000594637366 530437572 /nfs/dbraw/zinc/43/75/72/530437572.db2.gz FKOYKNYJUJCUFC-KBPBESRZSA-N -1 3 395.547 0.675 20 30 GCEDHM CC[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC(C)(C)O ZINC000594632724 530434627 /nfs/dbraw/zinc/43/46/27/530434627.db2.gz GNGKWPKHWAJCCA-LBPRGKRZSA-N -1 3 389.499 0.658 20 30 GCEDHM COC(=O)c1ccc(Br)cc1S(=O)(=O)[N-]CC(=O)NCC#N ZINC000595337825 530445758 /nfs/dbraw/zinc/44/57/58/530445758.db2.gz LNVIGSCXKVLEIE-UHFFFAOYSA-N -1 3 390.215 0.154 20 30 GCEDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N)C1(CO)CC1 ZINC000595958760 530450709 /nfs/dbraw/zinc/45/07/09/530450709.db2.gz HUISXQPXVUHMKU-GFCCVEGCSA-N -1 3 387.483 0.270 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N)C1(CO)CC1 ZINC000595958641 530450790 /nfs/dbraw/zinc/45/07/90/530450790.db2.gz GTVXHMMEWSLGLC-NWDGAFQWSA-N -1 3 387.483 0.316 20 30 GCEDHM C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C[C@]1(C)CO ZINC000595961939 530451248 /nfs/dbraw/zinc/45/12/48/530451248.db2.gz NJXQNKMRUHCIAU-IUODEOHRSA-N -1 3 387.483 0.127 20 30 GCEDHM CN(c1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)cc1)S(C)(=O)=O ZINC000617470553 530500788 /nfs/dbraw/zinc/50/07/88/530500788.db2.gz WJCLUSOWAMHWKJ-UHFFFAOYSA-N -1 3 380.451 0.828 20 30 GCEDHM COCC[C@@H](C)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N ZINC000416397854 530507525 /nfs/dbraw/zinc/50/75/25/530507525.db2.gz BSADJBARQLFPDB-CYBMUJFWSA-N -1 3 389.499 0.782 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CO[C@H](C)C1 ZINC000563429824 530525925 /nfs/dbraw/zinc/52/59/25/530525925.db2.gz FVUMRMRGXPLNNM-YNEHKIRRSA-N -1 3 387.483 0.675 20 30 GCEDHM CC#CC[C@@H](CO)NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000645381474 530550001 /nfs/dbraw/zinc/55/00/01/530550001.db2.gz FZWZPPXCGCOZLC-JTQLQIEISA-N -1 3 379.891 0.753 20 30 GCEDHM C=CCn1c(=O)[n-]nc1S(=O)(=O)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000566634989 530532827 /nfs/dbraw/zinc/53/28/27/530532827.db2.gz KEAYDAOSUIUEJH-UHFFFAOYSA-N -1 3 381.801 0.805 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CC[C@@H](CO)C1 ZINC000566690207 530533696 /nfs/dbraw/zinc/53/36/96/530533696.db2.gz IDMATWIJPGBIBB-OLZOCXBDSA-N -1 3 387.483 0.270 20 30 GCEDHM CC#CC[C@@H](CO)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000645883903 530550871 /nfs/dbraw/zinc/55/08/71/530550871.db2.gz NQXUVCBRFSWNEQ-AWEZNQCLSA-N -1 3 386.495 0.524 20 30 GCEDHM C[C@@H](CO)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000568256009 530556519 /nfs/dbraw/zinc/55/65/19/530556519.db2.gz WIDVCQQOAFICNC-NSHDSACASA-N -1 3 375.472 0.268 20 30 GCEDHM CC[C@@H](CO)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C#N ZINC000568255213 530556532 /nfs/dbraw/zinc/55/65/32/530556532.db2.gz QTFSZCBNBMTEBN-NEPJUHHUSA-N -1 3 375.472 0.268 20 30 GCEDHM CO[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000568255299 530556753 /nfs/dbraw/zinc/55/67/53/530556753.db2.gz YJLGIGBJMZBYIC-YNEHKIRRSA-N -1 3 387.483 0.723 20 30 GCEDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N)[C@@H]1CCOC1 ZINC000563731751 530557605 /nfs/dbraw/zinc/55/76/05/530557605.db2.gz NLDWPIQJARKOHF-CHWSQXEVSA-N -1 3 387.483 0.534 20 30 GCEDHM CO[C@@H](C)[C@@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000568412680 530559114 /nfs/dbraw/zinc/55/91/14/530559114.db2.gz FMJLCZNXDAIZDZ-TUAOUCFPSA-N -1 3 375.472 0.579 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H](O)C1CC1 ZINC000568647317 530562225 /nfs/dbraw/zinc/56/22/25/530562225.db2.gz PRFQUGQFSUVBOF-YPMHNXCESA-N -1 3 387.483 0.268 20 30 GCEDHM C=CCN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000289796209 530563860 /nfs/dbraw/zinc/56/38/60/530563860.db2.gz MBJCDLDLPGXSOQ-OAHLLOKOSA-N -1 3 386.495 0.308 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000568882426 530564749 /nfs/dbraw/zinc/56/47/49/530564749.db2.gz XSNJLOPZBJUFCJ-AVGNSLFASA-N -1 3 387.483 0.580 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N)[C@H]1CCOC1 ZINC000568882428 530564789 /nfs/dbraw/zinc/56/47/89/530564789.db2.gz XSNJLOPZBJUFCJ-XQQFMLRXSA-N -1 3 387.483 0.580 20 30 GCEDHM C[C@H]1C[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2(C#N)CC2)CO1 ZINC000569001699 530566109 /nfs/dbraw/zinc/56/61/09/530566109.db2.gz ICDJELGXWCSDCJ-RYUDHWBXSA-N -1 3 385.467 0.477 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H](O)C1CCC1 ZINC000573020394 530574347 /nfs/dbraw/zinc/57/43/47/530574347.db2.gz JIYSWSPBRKAURE-ZDUSSCGKSA-N -1 3 387.483 0.270 20 30 GCEDHM CCO[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000573506695 530581185 /nfs/dbraw/zinc/58/11/85/530581185.db2.gz OPYPFNUEJBCYSN-CHWSQXEVSA-N -1 3 387.483 0.724 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1C[C@H](O)C1(C)C ZINC000574218619 530588551 /nfs/dbraw/zinc/58/85/51/530588551.db2.gz GMIFTQLQTQEILE-BPNCWPANSA-N -1 3 387.483 0.315 20 30 GCEDHM C[C@@H]1CCC[C@]1(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000574702813 530593759 /nfs/dbraw/zinc/59/37/59/530593759.db2.gz AYKNMXRJYGCJDK-DOMZBBRYSA-N -1 3 387.483 0.318 20 30 GCEDHM C[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349447016 530635937 /nfs/dbraw/zinc/63/59/37/530635937.db2.gz IDQSRLAWTFBPAP-VXGBXAGGSA-N -1 3 385.467 0.165 20 30 GCEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@](C)(F)C1 ZINC000349461618 530640366 /nfs/dbraw/zinc/64/03/66/530640366.db2.gz KGFUHTWLRFJCJW-OCCSQVGLSA-N -1 3 383.511 0.998 20 30 GCEDHM CCN(C[C@H]1CCCO1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349465546 530642137 /nfs/dbraw/zinc/64/21/37/530642137.db2.gz DWRRVKQITGTXMN-CYBMUJFWSA-N -1 3 387.483 0.678 20 30 GCEDHM CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(N(C)C)cn1 ZINC000349465900 530642413 /nfs/dbraw/zinc/64/24/13/530642413.db2.gz YSRFVMODFCCYSW-UHFFFAOYSA-N -1 3 388.515 0.564 20 30 GCEDHM N#CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)NC[C@H]2CCCO2)CC1 ZINC000577192489 530618168 /nfs/dbraw/zinc/61/81/68/530618168.db2.gz NELJAJYZQOWZPN-GFCCVEGCSA-N -1 3 385.467 0.478 20 30 GCEDHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)NCC1(C#N)CCC1 ZINC000349544089 530683980 /nfs/dbraw/zinc/68/39/80/530683980.db2.gz PKPMRHRIBHWCEN-UHFFFAOYSA-N -1 3 375.476 0.463 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000349471817 530644874 /nfs/dbraw/zinc/64/48/74/530644874.db2.gz VBZALTAKIRIBRZ-LOWVWBTDSA-N -1 3 385.458 0.310 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000349472648 530645102 /nfs/dbraw/zinc/64/51/02/530645102.db2.gz GOQDQESCVKDVDT-ZENOOKHLSA-N -1 3 389.543 0.906 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC12CCC2 ZINC000349472439 530645266 /nfs/dbraw/zinc/64/52/66/530645266.db2.gz GDYKMMORGKIECE-HNNXBMFYSA-N -1 3 375.516 0.946 20 30 GCEDHM CCN([C@@H](C)CO)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000349479213 530648782 /nfs/dbraw/zinc/64/87/82/530648782.db2.gz IQXBEIMDECDULA-RYUDHWBXSA-N -1 3 375.472 0.268 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]1CF ZINC000349481447 530650254 /nfs/dbraw/zinc/65/02/54/530650254.db2.gz MVESPNKRKSTRIZ-NWDGAFQWSA-N -1 3 375.447 1.000 20 30 GCEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(OC)C1 ZINC000349483107 530650648 /nfs/dbraw/zinc/65/06/48/530650648.db2.gz VCRKIFWVQTUONF-GFCCVEGCSA-N -1 3 387.483 0.676 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(C)(OC)C1 ZINC000349484237 530651334 /nfs/dbraw/zinc/65/13/34/530651334.db2.gz XRPDOTPZCHRMPE-LBPRGKRZSA-N -1 3 387.483 0.676 20 30 GCEDHM CN(C1CC(O)C1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349483801 530651500 /nfs/dbraw/zinc/65/15/00/530651500.db2.gz WTCNNEJGJCKQBG-UHFFFAOYSA-N -1 3 385.467 0.165 20 30 GCEDHM CN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]C2(C#N)CCCCC2)CC1 ZINC000349541910 530682878 /nfs/dbraw/zinc/68/28/78/530682878.db2.gz XBSSDDYRVFYHCC-UHFFFAOYSA-N -1 3 392.547 0.100 20 30 GCEDHM CO[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)C1 ZINC000349501174 530660466 /nfs/dbraw/zinc/66/04/66/530660466.db2.gz FUIUXKCGZIBFHN-GXTWGEPZSA-N -1 3 379.504 0.039 20 30 GCEDHM N#CC1([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2CO)CCCCC1 ZINC000349522505 530671495 /nfs/dbraw/zinc/67/14/95/530671495.db2.gz VMDPCGPWNFMJRO-AWEZNQCLSA-N -1 3 393.531 0.309 20 30 GCEDHM C[C@@H](CC#N)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cncc(F)c1 ZINC000349525108 530673123 /nfs/dbraw/zinc/67/31/23/530673123.db2.gz QPUCUXIBPRKFDQ-NSHDSACASA-N -1 3 378.451 0.916 20 30 GCEDHM C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccnc1 ZINC000349531982 530675743 /nfs/dbraw/zinc/67/57/43/530675743.db2.gz ARGMSZPFXCCLFS-CABCVRRESA-N -1 3 389.499 0.866 20 30 GCEDHM C[C@@H](C#N)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N=c1cc[nH]cc1 ZINC000526950855 530675850 /nfs/dbraw/zinc/67/58/50/530675850.db2.gz VXROXPJCVUXMQJ-LBPRGKRZSA-N -1 3 380.451 0.742 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@@H]1F ZINC000349535094 530677943 /nfs/dbraw/zinc/67/79/43/530677943.db2.gz KBUGMSZKCQCRJU-SCRDCRAPSA-N -1 3 381.495 0.798 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCSC1 ZINC000349535081 530678192 /nfs/dbraw/zinc/67/81/92/530678192.db2.gz JZEKJZMXECKPPV-OCCSQVGLSA-N -1 3 395.572 0.803 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](C(N)=O)O2)c(C(F)(F)F)c1 ZINC000268323647 530685067 /nfs/dbraw/zinc/68/50/67/530685067.db2.gz GNOLDNHUAHGSCI-GXSJLCMTSA-N -1 3 377.344 0.888 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCSC1 ZINC000349547216 530685534 /nfs/dbraw/zinc/68/55/34/530685534.db2.gz CSDURRYRUJRHNS-YPMHNXCESA-N -1 3 381.545 0.413 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCCS(=O)(=O)N1CCCOCC1 ZINC000349591564 530708725 /nfs/dbraw/zinc/70/87/25/530708725.db2.gz OKWWOPFZGKWVHL-OAHLLOKOSA-N -1 3 393.531 0.430 20 30 GCEDHM CO[C@@H](C)[C@@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000579612906 530744757 /nfs/dbraw/zinc/74/47/57/530744757.db2.gz BLSWCRFOWZHXPY-NEPJUHHUSA-N -1 3 389.499 0.969 20 30 GCEDHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N)[C@@H](C)O ZINC000579376259 530742473 /nfs/dbraw/zinc/74/24/73/530742473.db2.gz KJYJXGLDGVJFBT-VXGBXAGGSA-N -1 3 375.472 0.268 20 30 GCEDHM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC000578668410 530734127 /nfs/dbraw/zinc/73/41/27/530734127.db2.gz ATYVTDAWAQKKBP-UHFFFAOYSA-N -1 3 384.439 0.572 20 30 GCEDHM N#CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)NCCO)CCCCC1 ZINC000578644160 530734305 /nfs/dbraw/zinc/73/43/05/530734305.db2.gz PBXOZGMGRJHZJM-UHFFFAOYSA-N -1 3 387.483 0.462 20 30 GCEDHM CC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N)[C@H](C)O ZINC000581022880 530753335 /nfs/dbraw/zinc/75/33/35/530753335.db2.gz MUCDEEOHLLCAGO-RYUDHWBXSA-N -1 3 389.499 0.705 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CC[C@@H](F)C1 ZINC000581199160 530755323 /nfs/dbraw/zinc/75/53/23/530755323.db2.gz AYCIVVLAVNKYPY-NEPJUHHUSA-N -1 3 375.447 1.000 20 30 GCEDHM CS[C@H](C)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000581618475 530760585 /nfs/dbraw/zinc/76/05/85/530760585.db2.gz DGULGBVDSKEURC-WDEREUQCSA-N -1 3 377.513 0.907 20 30 GCEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)OC)C(=O)OC ZINC000481613024 530779950 /nfs/dbraw/zinc/77/99/50/530779950.db2.gz NCNDETGGVHKJCX-SNVBAGLBSA-N -1 3 377.440 0.866 20 30 GCEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)OC)C(=O)OC ZINC000481606531 530780113 /nfs/dbraw/zinc/78/01/13/530780113.db2.gz HDDQXVLUUVMHNH-NSHDSACASA-N -1 3 375.374 0.635 20 30 GCEDHM C=CCOC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)C(=O)OC ZINC000481760528 530780601 /nfs/dbraw/zinc/78/06/01/530780601.db2.gz FTNSPJVHELFXPT-QWRGUYRKSA-N -1 3 376.456 0.275 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]CCS(=O)(=O)N2CCSCC2)c(F)c1 ZINC000610085168 530767694 /nfs/dbraw/zinc/76/76/94/530767694.db2.gz XGFIVPMMRUAIIZ-UHFFFAOYSA-N -1 3 393.487 0.354 20 30 GCEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1)C(=O)OC ZINC000619506475 530818639 /nfs/dbraw/zinc/81/86/39/530818639.db2.gz LZGSNGTYFQIJLV-JQWIXIFHSA-N -1 3 390.483 0.968 20 30 GCEDHM CCOC(=O)c1sc(C[N-]S(=O)(=O)N(CCC#N)CCOC)nc1C ZINC000619711529 530821729 /nfs/dbraw/zinc/82/17/29/530821729.db2.gz DXNYZGDZQCFWJB-UHFFFAOYSA-N -1 3 390.487 0.825 20 30 GCEDHM CS(=O)(=O)N1CC[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000513110110 530822500 /nfs/dbraw/zinc/82/25/00/530822500.db2.gz KEWPYSQGBYROLR-SNVBAGLBSA-N -1 3 377.875 0.771 20 30 GCEDHM CN1CCN(CC[N-]S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000416471522 530846722 /nfs/dbraw/zinc/84/67/22/530846722.db2.gz KSEAGHQVLRGCAQ-UHFFFAOYSA-N -1 3 387.303 0.846 20 30 GCEDHM CN1CCN(C)[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416385391 530847067 /nfs/dbraw/zinc/84/70/67/530847067.db2.gz GKMKFSXHYNHQOS-CYBMUJFWSA-N -1 3 387.303 0.845 20 30 GCEDHM CC(C)(CC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)S(C)(=O)=O ZINC000416610519 530847941 /nfs/dbraw/zinc/84/79/41/530847941.db2.gz WTXOENLKZFVMBS-UHFFFAOYSA-N -1 3 375.428 0.958 20 30 GCEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCCCn1cc(C(N)=O)nn1 ZINC000416647311 530847985 /nfs/dbraw/zinc/84/79/85/530847985.db2.gz MRAWUTMIXAGHBH-UHFFFAOYSA-N -1 3 382.833 0.661 20 30 GCEDHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@H](C#N)CC(C)C)s1 ZINC000610425524 530870777 /nfs/dbraw/zinc/87/07/77/530870777.db2.gz NEEAOTMXWHALQI-LBPRGKRZSA-N -1 3 386.499 0.717 20 30 GCEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCS(=O)(=O)N1CCSCC1 ZINC000269689165 530871208 /nfs/dbraw/zinc/87/12/08/530871208.db2.gz WHSQXCHDWYVTNV-UHFFFAOYSA-N -1 3 393.487 0.354 20 30 GCEDHM CC1(C)C[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CCO1 ZINC000583763845 530871556 /nfs/dbraw/zinc/87/15/56/530871556.db2.gz MECSVTURTAETDD-GFCCVEGCSA-N -1 3 387.483 0.724 20 30 GCEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC1(CCO)CC1 ZINC000583704031 530843558 /nfs/dbraw/zinc/84/35/58/530843558.db2.gz SIBHSENGCQDAIL-UHFFFAOYSA-N -1 3 387.483 0.460 20 30 GCEDHM CN(C)S(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428256615 530897900 /nfs/dbraw/zinc/89/79/00/530897900.db2.gz LKQGBSDRVOBXGP-UHFFFAOYSA-N -1 3 380.451 0.682 20 30 GCEDHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)NCC1(C#N)CCCC1 ZINC000349535106 530899930 /nfs/dbraw/zinc/89/99/30/530899930.db2.gz KISSAXXVOSPYNG-UHFFFAOYSA-N -1 3 389.503 0.853 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1F ZINC000349537358 530900652 /nfs/dbraw/zinc/90/06/52/530900652.db2.gz PYSKRXMHGCUGJW-OLZOCXBDSA-N -1 3 393.462 0.615 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC000349547009 530903091 /nfs/dbraw/zinc/90/30/91/530903091.db2.gz UMBOPMJZVOADPU-YWPYICTPSA-N -1 3 393.531 0.067 20 30 GCEDHM COC(C)(C)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349480673 530876953 /nfs/dbraw/zinc/87/69/53/530876953.db2.gz LEZPOPBDKSSVGR-UHFFFAOYSA-N -1 3 375.472 0.534 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](C)[C@H]1CO ZINC000349480692 530877076 /nfs/dbraw/zinc/87/70/76/530877076.db2.gz LIIWWYYQMPQPGK-FRRDWIJNSA-N -1 3 387.483 0.268 20 30 GCEDHM C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2(C#N)CC2)C[C@H]1O ZINC000349482457 530877751 /nfs/dbraw/zinc/87/77/51/530877751.db2.gz RTMMXQWDYPEDOG-VXGBXAGGSA-N -1 3 385.467 0.022 20 30 GCEDHM CCn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@](F)(C#N)C2)cn1 ZINC000349485278 530878677 /nfs/dbraw/zinc/87/86/77/530878677.db2.gz AAHHLVMMXURSPU-ZDUSSCGKSA-N -1 3 393.466 0.302 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@](F)(C#N)C1 ZINC000349486229 530878793 /nfs/dbraw/zinc/87/87/93/530878793.db2.gz BOUICGSSPKUERF-UONOGXRCSA-N -1 3 392.478 0.256 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@]2(CCOC2)C1 ZINC000349486182 530878891 /nfs/dbraw/zinc/87/88/91/530878891.db2.gz BJAOCQPOZVNUSK-GJZGRUSLSA-N -1 3 393.531 0.286 20 30 GCEDHM CCn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@](F)(C#N)C2)cn1 ZINC000349485277 530878931 /nfs/dbraw/zinc/87/89/31/530878931.db2.gz AAHHLVMMXURSPU-CYBMUJFWSA-N -1 3 393.466 0.302 20 30 GCEDHM CN([C@H]1CCCOC1)S(=O)(=O)CCCS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000349495114 530881266 /nfs/dbraw/zinc/88/12/66/530881266.db2.gz LXMIUODUBNXBJN-DZGCQCFKSA-N -1 3 393.531 0.429 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]1CF ZINC000349502397 530882940 /nfs/dbraw/zinc/88/29/40/530882940.db2.gz UMFVWYYVSIASIO-JSGCOSHPSA-N -1 3 381.495 0.752 20 30 GCEDHM C[C@H](O)[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)C1 ZINC000349501776 530883039 /nfs/dbraw/zinc/88/30/39/530883039.db2.gz NFCYIKHLDCRRIU-GZBFAFLISA-N -1 3 393.531 0.021 20 30 GCEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)C1 ZINC000349508667 530885430 /nfs/dbraw/zinc/88/54/30/530885430.db2.gz XFBSQLLGFNNJQM-HIFRSBDPSA-N -1 3 388.515 0.554 20 30 GCEDHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@H](C)C#N)cn1 ZINC000349519775 530888570 /nfs/dbraw/zinc/88/85/70/530888570.db2.gz QHSXBHDLZYNULL-LLVKDONJSA-N -1 3 375.476 0.338 20 30 GCEDHM COC[C@@H](C)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349469924 530891160 /nfs/dbraw/zinc/89/11/60/530891160.db2.gz LNUDVUWXKBQXLK-GFCCVEGCSA-N -1 3 387.483 0.676 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](F)C1 ZINC000349474075 530892152 /nfs/dbraw/zinc/89/21/52/530892152.db2.gz UCLVGQMXIPYDAH-NEPJUHHUSA-N -1 3 375.447 1.000 20 30 GCEDHM C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]C2(C#N)CCCCC2)CO1 ZINC000349577375 530895089 /nfs/dbraw/zinc/89/50/89/530895089.db2.gz QSRNMSSQMLXLME-KBPBESRZSA-N -1 3 393.531 0.619 20 30 GCEDHM CC(C)c1cc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)n[nH]1 ZINC000349588735 530897362 /nfs/dbraw/zinc/89/73/62/530897362.db2.gz BDXREHFZAACNIV-UHFFFAOYSA-N -1 3 389.503 0.840 20 30 GCEDHM CS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000494302541 530934739 /nfs/dbraw/zinc/93/47/39/530934739.db2.gz BETLQUYUZWMJED-UHFFFAOYSA-N -1 3 397.400 0.747 20 30 GCEDHM CC(C)(C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)NS(C)(=O)=O ZINC000611017759 530932034 /nfs/dbraw/zinc/93/20/34/530932034.db2.gz RHUKXGSXKKIQNB-UHFFFAOYSA-N -1 3 376.416 0.073 20 30 GCEDHM CN(CCC#N)S(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000511213261 530933721 /nfs/dbraw/zinc/93/37/21/530933721.db2.gz KTXPLPKAYWEGLT-UHFFFAOYSA-N -1 3 398.869 0.437 20 30 GCEDHM C[C@H](CC#N)N(C)S(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000509262122 530917063 /nfs/dbraw/zinc/91/70/63/530917063.db2.gz FBGGRLBTBVRLTB-SNVBAGLBSA-N -1 3 396.441 0.311 20 30 GCEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCc2nnnn2CC1 ZINC000333894968 530924648 /nfs/dbraw/zinc/92/46/48/530924648.db2.gz YAAGICDBLOBFBE-NSHDSACASA-N -1 3 397.258 0.991 20 30 GCEDHM COCCN(CCC#N)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000610915260 530927840 /nfs/dbraw/zinc/92/78/40/530927840.db2.gz MGAONQRCLBBSCM-UHFFFAOYSA-N -1 3 379.435 0.748 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@]1(C)CCOC1 ZINC000517587269 530961875 /nfs/dbraw/zinc/96/18/75/530961875.db2.gz ATOPPAPHPVFDIY-HNNXBMFYSA-N -1 3 387.483 0.536 20 30 GCEDHM C=CCn1cc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)nn1 ZINC000425181368 530941522 /nfs/dbraw/zinc/94/15/22/530941522.db2.gz WFXGFFJZPDGYCW-UHFFFAOYSA-N -1 3 385.471 0.159 20 30 GCEDHM CS(=O)(=O)N[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000269827283 530943336 /nfs/dbraw/zinc/94/33/36/530943336.db2.gz OPFRLXXEDCEULM-GWCFXTLKSA-N -1 3 375.447 0.694 20 30 GCEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCCOC1 ZINC000516785544 530955252 /nfs/dbraw/zinc/95/52/52/530955252.db2.gz NGJACTKEEQWXPR-GFCCVEGCSA-N -1 3 387.483 0.724 20 30 GCEDHM COC(=O)CCN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1=O ZINC000503852743 530978241 /nfs/dbraw/zinc/97/82/41/530978241.db2.gz FDUHHZLQEGNIIR-GFCCVEGCSA-N -1 3 385.829 0.654 20 30 GCEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000611417686 530990390 /nfs/dbraw/zinc/99/03/90/530990390.db2.gz AESPQMCEPAJYIM-HIFRSBDPSA-N -1 3 388.442 0.712 20 30 GCEDHM C=CCNC(=O)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000272050467 531006294 /nfs/dbraw/zinc/00/62/94/531006294.db2.gz XUHVFSYYJQYTPS-UHFFFAOYSA-N -1 3 380.879 0.281 20 30 GCEDHM C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000272844782 531007675 /nfs/dbraw/zinc/00/76/75/531007675.db2.gz NMPPGBRKBKOVOB-UHFFFAOYSA-N -1 3 383.469 0.422 20 30 GCEDHM C=CCN(C(=O)c1cc(S(=O)(=O)[N-]C)oc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000267595487 531004766 /nfs/dbraw/zinc/00/47/66/531004766.db2.gz PAXJOEFAQHFPRW-LLVKDONJSA-N -1 3 376.456 0.311 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccnc1 ZINC000349532865 531061356 /nfs/dbraw/zinc/06/13/56/531061356.db2.gz DBZWYMCFLSWGTN-KGLIPLIRSA-N -1 3 375.472 0.476 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC(C)(F)C1 ZINC000515073649 531085896 /nfs/dbraw/zinc/08/58/96/531085896.db2.gz RKPZFZKCPQYEIT-UHFFFAOYSA-N -1 3 375.447 1.000 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3)C2=O)CCO1 ZINC000548832368 531123709 /nfs/dbraw/zinc/12/37/09/531123709.db2.gz PZZJNXLGUCZCRU-KBPBESRZSA-N -1 3 384.845 0.504 20 30 GCEDHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]CC2CCN(CC#N)CC2)s1 ZINC000151821729 531129551 /nfs/dbraw/zinc/12/95/51/531129551.db2.gz GNTHUHMKOOSQBW-UHFFFAOYSA-N -1 3 384.527 0.941 20 30 GCEDHM N#C[C@@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)CCO1 ZINC000555215750 531167542 /nfs/dbraw/zinc/16/75/42/531167542.db2.gz LVBFXHQKNUNVFG-LLVKDONJSA-N -1 3 390.824 0.691 20 30 GCEDHM Cc1nnc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)s1 ZINC000565228655 531181053 /nfs/dbraw/zinc/18/10/53/531181053.db2.gz HDUDNHXPVSFMSG-UHFFFAOYSA-N -1 3 387.468 0.127 20 30 GCEDHM CC(C)(C)[C@@H](CO)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000565231618 531182809 /nfs/dbraw/zinc/18/28/09/531182809.db2.gz YKGMOTUHFMUTAR-CYBMUJFWSA-N -1 3 375.472 0.174 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1O ZINC000565667909 531188398 /nfs/dbraw/zinc/18/83/98/531188398.db2.gz QWRMOWOZPNWCNQ-CHWSQXEVSA-N -1 3 387.483 0.412 20 30 GCEDHM C#CCN(CC)C(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000735374151 598862401 /nfs/dbraw/zinc/86/24/01/598862401.db2.gz DKKDMOJNUQWNAL-AWEZNQCLSA-N -1 3 381.396 0.553 20 30 GCEDHM C#CCN(CC)C(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735374151 598862403 /nfs/dbraw/zinc/86/24/03/598862403.db2.gz DKKDMOJNUQWNAL-AWEZNQCLSA-N -1 3 381.396 0.553 20 30 GCEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000736814661 598894563 /nfs/dbraw/zinc/89/45/63/598894563.db2.gz RWRVWROQQJTXJL-FBMGVBCBSA-N -1 3 381.396 0.742 20 30 GCEDHM C#CC(C)(C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000735374387 598910857 /nfs/dbraw/zinc/91/08/57/598910857.db2.gz BRCUZAQUZFSMBW-CYBMUJFWSA-N -1 3 381.396 0.600 20 30 GCEDHM C#CC(C)(C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735374387 598910858 /nfs/dbraw/zinc/91/08/58/598910858.db2.gz BRCUZAQUZFSMBW-CYBMUJFWSA-N -1 3 381.396 0.600 20 30 GCEDHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000735552194 598926493 /nfs/dbraw/zinc/92/64/93/598926493.db2.gz VRILYTUKYPQWTO-JTQLQIEISA-N -1 3 394.395 0.930 20 30 GCEDHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000735552194 598926495 /nfs/dbraw/zinc/92/64/95/598926495.db2.gz VRILYTUKYPQWTO-JTQLQIEISA-N -1 3 394.395 0.930 20 30 GCEDHM C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000735416086 598952345 /nfs/dbraw/zinc/95/23/45/598952345.db2.gz CNPCITSPPQIEKF-CYBMUJFWSA-N -1 3 397.482 0.539 20 30 GCEDHM C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000735416086 598952347 /nfs/dbraw/zinc/95/23/47/598952347.db2.gz CNPCITSPPQIEKF-CYBMUJFWSA-N -1 3 397.482 0.539 20 30 GCEDHM N#Cc1ccc([C@@H](C(N)=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000737713460 599071112 /nfs/dbraw/zinc/07/11/12/599071112.db2.gz XWYRFDYTQVLXNU-KRWDZBQOSA-N -1 3 389.423 0.482 20 30 GCEDHM N#Cc1ccc([C@@H](C(N)=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000737713460 599071115 /nfs/dbraw/zinc/07/11/15/599071115.db2.gz XWYRFDYTQVLXNU-KRWDZBQOSA-N -1 3 389.423 0.482 20 30 GCEDHM N#Cc1ccc([C@H](OC(=O)COc2ccc(-c3nn[n-]n3)cc2)C(N)=O)cc1 ZINC000737711215 599111772 /nfs/dbraw/zinc/11/17/72/599111772.db2.gz HZDHANFNYZNBBY-INIZCTEOSA-N -1 3 378.348 0.887 20 30 GCEDHM N#Cc1ccc([C@H](OC(=O)CNc2ccc(-c3nn[n-]n3)cc2)C(N)=O)cc1 ZINC000737713613 599122936 /nfs/dbraw/zinc/12/29/36/599122936.db2.gz ZSUDPEWGOQLWEQ-INIZCTEOSA-N -1 3 377.364 0.920 20 30 GCEDHM Cn1ccc(N2CCC[C@H](Sc3nc(N)c(C#N)cc3-c3nnn[n-]3)C2=O)n1 ZINC000737613321 599162364 /nfs/dbraw/zinc/16/23/64/599162364.db2.gz OLDVTSLBYUWHEH-NSHDSACASA-N -1 3 396.440 0.737 20 30 GCEDHM Cn1ccc(N2CCC[C@H](Sc3nc(N)c(C#N)cc3-c3nn[n-]n3)C2=O)n1 ZINC000737613321 599162366 /nfs/dbraw/zinc/16/23/66/599162366.db2.gz OLDVTSLBYUWHEH-NSHDSACASA-N -1 3 396.440 0.737 20 30 GCEDHM Cc1c(C#N)cccc1NC(=O)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000822015919 607274376 /nfs/dbraw/zinc/27/43/76/607274376.db2.gz QVCQKTFGIWCLGT-UHFFFAOYSA-N -1 3 391.395 0.609 20 30 GCEDHM Cc1c(C#N)cccc1NC(=O)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000822015919 607274377 /nfs/dbraw/zinc/27/43/77/607274377.db2.gz QVCQKTFGIWCLGT-UHFFFAOYSA-N -1 3 391.395 0.609 20 30 GCEDHM CCCn1c(=O)c(=Cc2ccc(OC)c(-c3nnn[n-]3)c2)sc1=C(C#N)C#N ZINC000736499215 599251159 /nfs/dbraw/zinc/25/11/59/599251159.db2.gz CMVSBLFRSYXSQW-UHFFFAOYSA-N -1 3 393.432 0.535 20 30 GCEDHM CCCn1c(=O)c(=Cc2ccc(OC)c(-c3nn[n-]n3)c2)sc1=C(C#N)C#N ZINC000736499215 599251160 /nfs/dbraw/zinc/25/11/60/599251160.db2.gz CMVSBLFRSYXSQW-UHFFFAOYSA-N -1 3 393.432 0.535 20 30 GCEDHM C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000819751032 607286010 /nfs/dbraw/zinc/28/60/10/607286010.db2.gz MRJCOVIKSQEPKC-UHFFFAOYSA-N -1 3 384.444 0.627 20 30 GCEDHM C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000819751032 607286011 /nfs/dbraw/zinc/28/60/11/607286011.db2.gz MRJCOVIKSQEPKC-UHFFFAOYSA-N -1 3 384.444 0.627 20 30 GCEDHM N#Cc1cc(-c2nnn[n-]2)c(S[C@@H]2CCN(CC(F)(F)F)C2=O)nc1N ZINC000737705490 599288282 /nfs/dbraw/zinc/28/82/82/599288282.db2.gz QCCIKIHPLLWELT-MRVPVSSYSA-N -1 3 384.347 0.971 20 30 GCEDHM N#Cc1cc(-c2nn[n-]n2)c(S[C@@H]2CCN(CC(F)(F)F)C2=O)nc1N ZINC000737705490 599288284 /nfs/dbraw/zinc/28/82/84/599288284.db2.gz QCCIKIHPLLWELT-MRVPVSSYSA-N -1 3 384.347 0.971 20 30 GCEDHM C[C@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN(CCC#N)CCC#N)C1=O ZINC000736223705 598233182 /nfs/dbraw/zinc/23/31/82/598233182.db2.gz PDGUWXNDPQKYLY-GOSISDBHSA-N -1 3 393.411 0.721 20 30 GCEDHM C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN(CCC#N)CCC#N)C1=O ZINC000736223705 598233183 /nfs/dbraw/zinc/23/31/83/598233183.db2.gz PDGUWXNDPQKYLY-GOSISDBHSA-N -1 3 393.411 0.721 20 30 GCEDHM C[C@H](C(=O)N(C)CCC#N)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735513220 598255670 /nfs/dbraw/zinc/25/56/70/598255670.db2.gz JAOHWSFGIXUNAE-CYBMUJFWSA-N -1 3 386.435 0.888 20 30 GCEDHM CCN(CCC#N)C(=O)CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736533820 598256344 /nfs/dbraw/zinc/25/63/44/598256344.db2.gz FFRLKHYTOUSATI-UHFFFAOYSA-N -1 3 386.435 0.890 20 30 GCEDHM N#Cc1ccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000737710686 598321332 /nfs/dbraw/zinc/32/13/32/598321332.db2.gz BQYFMPWWHWANLI-UHFFFAOYSA-N -1 3 379.355 0.924 20 30 GCEDHM N#Cc1ccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000737710686 598321333 /nfs/dbraw/zinc/32/13/33/598321333.db2.gz BQYFMPWWHWANLI-UHFFFAOYSA-N -1 3 379.355 0.924 20 30 GCEDHM N#CC1CCN(CN2CC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000737680259 598335149 /nfs/dbraw/zinc/33/51/49/598335149.db2.gz ZIQUBEORRPOSGN-UHFFFAOYSA-N -1 3 380.412 0.824 20 30 GCEDHM N#CC1CCN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000737680259 598335152 /nfs/dbraw/zinc/33/51/52/598335152.db2.gz ZIQUBEORRPOSGN-UHFFFAOYSA-N -1 3 380.412 0.824 20 30 GCEDHM N#C[C@H]1CN(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCO1 ZINC000737678723 598374918 /nfs/dbraw/zinc/37/49/18/598374918.db2.gz LZMUKBXNRUJHNH-AWEZNQCLSA-N -1 3 383.416 0.164 20 30 GCEDHM N#C[C@H]1CN(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCO1 ZINC000737678723 598374919 /nfs/dbraw/zinc/37/49/19/598374919.db2.gz LZMUKBXNRUJHNH-AWEZNQCLSA-N -1 3 383.416 0.164 20 30 GCEDHM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000737486116 598381956 /nfs/dbraw/zinc/38/19/56/598381956.db2.gz AQSXEBPJHYHWRR-UHFFFAOYSA-N -1 3 388.395 0.786 20 30 GCEDHM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000737486116 598381957 /nfs/dbraw/zinc/38/19/57/598381957.db2.gz AQSXEBPJHYHWRR-UHFFFAOYSA-N -1 3 388.395 0.786 20 30 GCEDHM C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735419536 598409128 /nfs/dbraw/zinc/40/91/28/598409128.db2.gz UQTNHHDSLVEEMZ-CYBMUJFWSA-N -1 3 398.423 0.729 20 30 GCEDHM C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735419536 598409129 /nfs/dbraw/zinc/40/91/29/598409129.db2.gz UQTNHHDSLVEEMZ-CYBMUJFWSA-N -1 3 398.423 0.729 20 30 GCEDHM CCN(C[C@@H](C)C#N)C(=O)COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736514537 598409898 /nfs/dbraw/zinc/40/98/98/598409898.db2.gz ZQPYBEPXAOMWHH-LBPRGKRZSA-N -1 3 399.411 0.148 20 30 GCEDHM CCN(C[C@@H](C)C#N)C(=O)COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736514537 598409899 /nfs/dbraw/zinc/40/98/99/598409899.db2.gz ZQPYBEPXAOMWHH-LBPRGKRZSA-N -1 3 399.411 0.148 20 30 GCEDHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ncnc2c1cnn2CCC#N ZINC000736798323 598419553 /nfs/dbraw/zinc/41/95/53/598419553.db2.gz VGWRNFOSPLQODR-UHFFFAOYSA-N -1 3 393.419 0.294 20 30 GCEDHM N#Cc1ccc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nc1 ZINC000737709553 598453337 /nfs/dbraw/zinc/45/33/37/598453337.db2.gz MEHJRRRDMGQPNO-UHFFFAOYSA-N -1 3 375.396 0.927 20 30 GCEDHM N#Cc1ccc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nc1 ZINC000737709553 598453338 /nfs/dbraw/zinc/45/33/38/598453338.db2.gz MEHJRRRDMGQPNO-UHFFFAOYSA-N -1 3 375.396 0.927 20 30 GCEDHM N#CCOc1ccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737696635 598530350 /nfs/dbraw/zinc/53/03/50/598530350.db2.gz SNXIMLLLPOBVHI-UHFFFAOYSA-N -1 3 391.391 0.815 20 30 GCEDHM N#CCOc1ccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737696635 598530351 /nfs/dbraw/zinc/53/03/51/598530351.db2.gz SNXIMLLLPOBVHI-UHFFFAOYSA-N -1 3 391.391 0.815 20 30 GCEDHM C=CCN(CC(=O)Nc1sccc1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000735415898 598538447 /nfs/dbraw/zinc/53/84/47/598538447.db2.gz AOVOWQWJVIDBRP-JTQLQIEISA-N -1 3 382.471 0.542 20 30 GCEDHM C=CCN(CC(=O)Nc1sccc1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000735415898 598538449 /nfs/dbraw/zinc/53/84/49/598538449.db2.gz AOVOWQWJVIDBRP-JTQLQIEISA-N -1 3 382.471 0.542 20 30 GCEDHM N#Cc1cc(NC(=O)C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)ccc1F ZINC000737704506 598637529 /nfs/dbraw/zinc/63/75/29/598637529.db2.gz JOANOWCKYJQQNX-UHFFFAOYSA-N -1 3 395.358 0.439 20 30 GCEDHM N#Cc1cc(NC(=O)C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)ccc1F ZINC000737704506 598637530 /nfs/dbraw/zinc/63/75/30/598637530.db2.gz JOANOWCKYJQQNX-UHFFFAOYSA-N -1 3 395.358 0.439 20 30 GCEDHM N#CCOc1ccc(CC(=O)NCCNc2ncccc2-c2nnn[n-]2)cc1 ZINC000737695162 598685447 /nfs/dbraw/zinc/68/54/47/598685447.db2.gz KFTCGQCTBCANFO-UHFFFAOYSA-N -1 3 378.396 0.935 20 30 GCEDHM N#CCOc1ccc(CC(=O)NCCNc2ncccc2-c2nn[n-]n2)cc1 ZINC000737695162 598685449 /nfs/dbraw/zinc/68/54/49/598685449.db2.gz KFTCGQCTBCANFO-UHFFFAOYSA-N -1 3 378.396 0.935 20 30 GCEDHM N#Cc1cc(S(=O)(=O)NCCNc2ncccc2-c2nnn[n-]2)ccc1F ZINC000737708886 598692176 /nfs/dbraw/zinc/69/21/76/598692176.db2.gz HJFYDRTZSCRUSG-UHFFFAOYSA-N -1 3 388.388 0.663 20 30 GCEDHM N#Cc1cc(S(=O)(=O)NCCNc2ncccc2-c2nn[n-]n2)ccc1F ZINC000737708886 598692178 /nfs/dbraw/zinc/69/21/78/598692178.db2.gz HJFYDRTZSCRUSG-UHFFFAOYSA-N -1 3 388.388 0.663 20 30 GCEDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000737022986 598754925 /nfs/dbraw/zinc/75/49/25/598754925.db2.gz HPBJJRJHUIUDAT-CQSZACIVSA-N -1 3 383.412 0.453 20 30 GCEDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000737022986 598754927 /nfs/dbraw/zinc/75/49/27/598754927.db2.gz HPBJJRJHUIUDAT-CQSZACIVSA-N -1 3 383.412 0.453 20 30 GCEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000737057061 598761684 /nfs/dbraw/zinc/76/16/84/598761684.db2.gz OIDOYHLHMKHETL-CYBMUJFWSA-N -1 3 396.411 0.013 20 30 GCEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000737057061 598761686 /nfs/dbraw/zinc/76/16/86/598761686.db2.gz OIDOYHLHMKHETL-CYBMUJFWSA-N -1 3 396.411 0.013 20 30 GCEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000737287705 598761841 /nfs/dbraw/zinc/76/18/41/598761841.db2.gz GPMMNTKUMQZIMB-AWEZNQCLSA-N -1 3 380.412 0.312 20 30 GCEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000737287705 598761843 /nfs/dbraw/zinc/76/18/43/598761843.db2.gz GPMMNTKUMQZIMB-AWEZNQCLSA-N -1 3 380.412 0.312 20 30 GCEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000737057072 598761912 /nfs/dbraw/zinc/76/19/12/598761912.db2.gz OIDOYHLHMKHETL-ZDUSSCGKSA-N -1 3 396.411 0.013 20 30 GCEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000737057072 598761913 /nfs/dbraw/zinc/76/19/13/598761913.db2.gz OIDOYHLHMKHETL-ZDUSSCGKSA-N -1 3 396.411 0.013 20 30 GCEDHM C#CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000735374842 598818185 /nfs/dbraw/zinc/81/81/85/598818185.db2.gz MYNVUMUIQJZXJV-CYBMUJFWSA-N -1 3 391.478 0.608 20 30 GCEDHM C#CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000735374842 598818187 /nfs/dbraw/zinc/81/81/87/598818187.db2.gz MYNVUMUIQJZXJV-CYBMUJFWSA-N -1 3 391.478 0.608 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000735426321 599307934 /nfs/dbraw/zinc/30/79/34/599307934.db2.gz PJSMJEDEAZKVEG-UHFFFAOYSA-N -1 3 383.368 0.196 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)N(CC)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735426321 599307936 /nfs/dbraw/zinc/30/79/36/599307936.db2.gz PJSMJEDEAZKVEG-UHFFFAOYSA-N -1 3 383.368 0.196 20 30 GCEDHM NS(=O)(=O)c1ccc(NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000737769512 599456232 /nfs/dbraw/zinc/45/62/32/599456232.db2.gz MEPNZCUWWMQVRU-UHFFFAOYSA-N -1 3 383.397 0.608 20 30 GCEDHM NS(=O)(=O)c1ccc(NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000737769512 599456235 /nfs/dbraw/zinc/45/62/35/599456235.db2.gz MEPNZCUWWMQVRU-UHFFFAOYSA-N -1 3 383.397 0.608 20 30 GCEDHM N#Cc1ccc(C(=O)NCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822823648 599490723 /nfs/dbraw/zinc/49/07/23/599490723.db2.gz WMILOZAVKWATGE-UHFFFAOYSA-N -1 3 379.355 0.924 20 30 GCEDHM N#Cc1ccc(C(=O)NCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822823648 599490726 /nfs/dbraw/zinc/49/07/26/599490726.db2.gz WMILOZAVKWATGE-UHFFFAOYSA-N -1 3 379.355 0.924 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826407256 607421182 /nfs/dbraw/zinc/42/11/82/607421182.db2.gz GXRLHIJWQAFTMG-VLGSPTGOSA-N -1 3 393.407 0.889 20 30 GCEDHM Cc1cc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)n(CCC#N)n1 ZINC000826269670 607515846 /nfs/dbraw/zinc/51/58/46/607515846.db2.gz SOSBXCNVHGDRBT-UHFFFAOYSA-N -1 3 397.374 0.679 20 30 GCEDHM Cc1cc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)n(CCC#N)n1 ZINC000826269670 607515848 /nfs/dbraw/zinc/51/58/48/607515848.db2.gz SOSBXCNVHGDRBT-UHFFFAOYSA-N -1 3 397.374 0.679 20 30 GCEDHM N#Cc1ccc(NC(=O)CNC2(C(=O)[O-])CCS(=O)(=O)CC2)cc1Cl ZINC000833073450 602063390 /nfs/dbraw/zinc/06/33/90/602063390.db2.gz OCKDXQWBDVLKBU-UHFFFAOYSA-N -1 3 385.829 0.772 20 30 GCEDHM CN(CCCCNC(=O)c1cc(C#N)c[nH]1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000825918915 607673006 /nfs/dbraw/zinc/67/30/06/607673006.db2.gz OYSGFWGVNPFGLI-UHFFFAOYSA-N -1 3 381.400 0.677 20 30 GCEDHM CN(CCCCNC(=O)c1cc(C#N)c[nH]1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000825918915 607673008 /nfs/dbraw/zinc/67/30/08/607673008.db2.gz OYSGFWGVNPFGLI-UHFFFAOYSA-N -1 3 381.400 0.677 20 30 GCEDHM CN(CCCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)c1cc(C#N)c[nH]1 ZINC000825919194 607673086 /nfs/dbraw/zinc/67/30/86/607673086.db2.gz XNWIFRKRJWQCOF-UHFFFAOYSA-N -1 3 381.400 0.677 20 30 GCEDHM CN(CCCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)c1cc(C#N)c[nH]1 ZINC000825919194 607673088 /nfs/dbraw/zinc/67/30/88/607673088.db2.gz XNWIFRKRJWQCOF-UHFFFAOYSA-N -1 3 381.400 0.677 20 30 GCEDHM CCC[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC000825242252 607718683 /nfs/dbraw/zinc/71/86/83/607718683.db2.gz MDCSWKSQAWGTJQ-NSHDSACASA-N -1 3 381.400 0.723 20 30 GCEDHM CCC[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC000825242252 607718685 /nfs/dbraw/zinc/71/86/85/607718685.db2.gz MDCSWKSQAWGTJQ-NSHDSACASA-N -1 3 381.400 0.723 20 30 GCEDHM CCC[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825242733 607718748 /nfs/dbraw/zinc/71/87/48/607718748.db2.gz ZPDWVPYTEWIDAS-NSHDSACASA-N -1 3 381.400 0.723 20 30 GCEDHM CCC[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825242733 607718750 /nfs/dbraw/zinc/71/87/50/607718750.db2.gz ZPDWVPYTEWIDAS-NSHDSACASA-N -1 3 381.400 0.723 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822968886 606022581 /nfs/dbraw/zinc/02/25/81/606022581.db2.gz DKWPNFPSOYMTIW-BMRADRMJSA-N -1 3 385.359 0.539 20 30 GCEDHM Cn1cc(C#N)cc1C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000822665489 606243854 /nfs/dbraw/zinc/24/38/54/606243854.db2.gz QWENDFOFSNJBEH-UHFFFAOYSA-N -1 3 377.412 0.871 20 30 GCEDHM Cn1cc(C#N)cc1C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000822665489 606243856 /nfs/dbraw/zinc/24/38/56/606243856.db2.gz QWENDFOFSNJBEH-UHFFFAOYSA-N -1 3 377.412 0.871 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)c1 ZINC000822819118 606267061 /nfs/dbraw/zinc/26/70/61/606267061.db2.gz KWIKDSIXXMOAST-CQSZACIVSA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)c1 ZINC000822819118 606267063 /nfs/dbraw/zinc/26/70/63/606267063.db2.gz KWIKDSIXXMOAST-CQSZACIVSA-N -1 3 379.384 0.333 20 30 GCEDHM C=CCn1nnnc1SCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819764447 606308418 /nfs/dbraw/zinc/30/84/18/606308418.db2.gz HBCDBBSSSQYBGP-UHFFFAOYSA-N -1 3 378.443 0.605 20 30 GCEDHM C=CCn1nnnc1SCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819764447 606308420 /nfs/dbraw/zinc/30/84/20/606308420.db2.gz HBCDBBSSSQYBGP-UHFFFAOYSA-N -1 3 378.443 0.605 20 30 GCEDHM C#CCNC(=O)C1CCN([C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819702392 606317113 /nfs/dbraw/zinc/31/71/13/606317113.db2.gz YTXMWMADJLDBIE-MRXNPFEDSA-N -1 3 382.424 0.542 20 30 GCEDHM C#CCNC(=O)C1CCN([C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819702392 606317114 /nfs/dbraw/zinc/31/71/14/606317114.db2.gz YTXMWMADJLDBIE-MRXNPFEDSA-N -1 3 382.424 0.542 20 30 GCEDHM CC(C)C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820055303 606321119 /nfs/dbraw/zinc/32/11/19/606321119.db2.gz IBKCLJZRJSQKTN-CYBMUJFWSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)C[C@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820055303 606321121 /nfs/dbraw/zinc/32/11/21/606321121.db2.gz IBKCLJZRJSQKTN-CYBMUJFWSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)[C@@](C)(CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820017179 606321184 /nfs/dbraw/zinc/32/11/84/606321184.db2.gz UGUXULGZZASWGN-GOSISDBHSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)[C@@](C)(CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820017179 606321186 /nfs/dbraw/zinc/32/11/86/606321186.db2.gz UGUXULGZZASWGN-GOSISDBHSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820021598 606321289 /nfs/dbraw/zinc/32/12/89/606321289.db2.gz XBZNZLTZMADLKV-CQSZACIVSA-N -1 3 381.400 0.579 20 30 GCEDHM CC(C)[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820021598 606321290 /nfs/dbraw/zinc/32/12/90/606321290.db2.gz XBZNZLTZMADLKV-CQSZACIVSA-N -1 3 381.400 0.579 20 30 GCEDHM CCOCCn1c(=O)c(=Cc2cc(-c3nnn[n-]3)cs2)sc1=C(C#N)C#N ZINC000821384096 606330835 /nfs/dbraw/zinc/33/08/35/606330835.db2.gz PCIABASHCFPFLD-UHFFFAOYSA-N -1 3 399.461 0.215 20 30 GCEDHM CCOCCn1c(=O)c(=Cc2cc(-c3nn[n-]n3)cs2)sc1=C(C#N)C#N ZINC000821384096 606330837 /nfs/dbraw/zinc/33/08/37/606330837.db2.gz PCIABASHCFPFLD-UHFFFAOYSA-N -1 3 399.461 0.215 20 30 GCEDHM S=C(NCCCN1CCOCC1)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823731880 606369729 /nfs/dbraw/zinc/36/97/29/606369729.db2.gz GVJAUACSNPTILK-UHFFFAOYSA-N -1 3 380.503 0.449 20 30 GCEDHM S=C(NCCCN1CCOCC1)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823731880 606369731 /nfs/dbraw/zinc/36/97/31/606369731.db2.gz GVJAUACSNPTILK-UHFFFAOYSA-N -1 3 380.503 0.449 20 30 GCEDHM CC[C@H](C#N)OC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820843425 606614338 /nfs/dbraw/zinc/61/43/38/606614338.db2.gz YWJLEEQVCMAPRE-CHWSQXEVSA-N -1 3 383.368 0.917 20 30 GCEDHM CC[C@H](C#N)OC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820843425 606614339 /nfs/dbraw/zinc/61/43/39/606614339.db2.gz YWJLEEQVCMAPRE-CHWSQXEVSA-N -1 3 383.368 0.917 20 30 GCEDHM CS(=O)(=O)N1CCC[C@H](CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)C1 ZINC000821931256 606637753 /nfs/dbraw/zinc/63/77/53/606637753.db2.gz BDEAOQRNNCCREJ-VIFPVBQESA-N -1 3 394.486 0.479 20 30 GCEDHM CS(=O)(=O)N1CCC[C@H](CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)C1 ZINC000821931256 606637754 /nfs/dbraw/zinc/63/77/54/606637754.db2.gz BDEAOQRNNCCREJ-VIFPVBQESA-N -1 3 394.486 0.479 20 30 GCEDHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)CC(=O)Nc1ccc(C#N)cc1 ZINC000821600702 606700262 /nfs/dbraw/zinc/70/02/62/606700262.db2.gz ZLAZNKRSGRXEIN-UHFFFAOYSA-N -1 3 380.416 0.547 20 30 GCEDHM N#CCN1CCC(CNS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822810049 606749345 /nfs/dbraw/zinc/74/93/45/606749345.db2.gz AQFXPZBCEISRSM-UHFFFAOYSA-N -1 3 375.458 0.522 20 30 GCEDHM N#CCN1CCC(CNS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822810049 606749346 /nfs/dbraw/zinc/74/93/46/606749346.db2.gz AQFXPZBCEISRSM-UHFFFAOYSA-N -1 3 375.458 0.522 20 30 GCEDHM NC(=O)[C@@H](OC(=O)C#Cc1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000822850598 606763177 /nfs/dbraw/zinc/76/31/77/606763177.db2.gz LEMHVEJAKUMAFR-KRWDZBQOSA-N -1 3 391.343 0.717 20 30 GCEDHM NC(=O)[C@@H](OC(=O)C#Cc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000822850598 606763179 /nfs/dbraw/zinc/76/31/79/606763179.db2.gz LEMHVEJAKUMAFR-KRWDZBQOSA-N -1 3 391.343 0.717 20 30 GCEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1nc(-c2nc[nH]n2)no1 ZINC000820556180 606819425 /nfs/dbraw/zinc/81/94/25/606819425.db2.gz SPRLMKISBYKQKM-RXMQYKEDSA-N -1 3 382.373 0.737 20 30 GCEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1nc(-c2nc[nH]n2)no1 ZINC000820556180 606819426 /nfs/dbraw/zinc/81/94/26/606819426.db2.gz SPRLMKISBYKQKM-RXMQYKEDSA-N -1 3 382.373 0.737 20 30 GCEDHM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000820804200 606829672 /nfs/dbraw/zinc/82/96/72/606829672.db2.gz NWKZKPUYTPUESJ-JTQLQIEISA-N -1 3 381.425 0.941 20 30 GCEDHM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000820804200 606829674 /nfs/dbraw/zinc/82/96/74/606829674.db2.gz NWKZKPUYTPUESJ-JTQLQIEISA-N -1 3 381.425 0.941 20 30 GCEDHM N#Cc1cccnc1N1CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822842381 606849669 /nfs/dbraw/zinc/84/96/69/606849669.db2.gz FZPHWBVVBYDOBX-KRWDZBQOSA-N -1 3 376.424 0.989 20 30 GCEDHM N#CCCN(CCN1CCOCC1)CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822811076 606904412 /nfs/dbraw/zinc/90/44/12/606904412.db2.gz SBTDUQDHKAJDCC-UHFFFAOYSA-N -1 3 384.444 0.353 20 30 GCEDHM N#CCCN(CCN1CCOCC1)CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822811076 606904413 /nfs/dbraw/zinc/90/44/13/606904413.db2.gz SBTDUQDHKAJDCC-UHFFFAOYSA-N -1 3 384.444 0.353 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)C1=O ZINC000819750620 606997724 /nfs/dbraw/zinc/99/77/24/606997724.db2.gz HQEBVYBRFPTDTJ-UHFFFAOYSA-N -1 3 388.315 0.026 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)C1=O ZINC000819750620 606997726 /nfs/dbraw/zinc/99/77/26/606997726.db2.gz HQEBVYBRFPTDTJ-UHFFFAOYSA-N -1 3 388.315 0.026 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)C[C@H](C)C#N ZINC000819844473 607000321 /nfs/dbraw/zinc/00/03/21/607000321.db2.gz IRHWGGDPYMITML-GHMZBOCLSA-N -1 3 377.430 0.152 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C[C@H](C)C#N ZINC000819844473 607000323 /nfs/dbraw/zinc/00/03/23/607000323.db2.gz IRHWGGDPYMITML-GHMZBOCLSA-N -1 3 377.430 0.152 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1(C#N)CCC1 ZINC000820437610 607009124 /nfs/dbraw/zinc/00/91/24/607009124.db2.gz ALYMJDBUNIFIAE-SNVBAGLBSA-N -1 3 375.414 0.096 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(C#N)CCC1 ZINC000820437610 607009125 /nfs/dbraw/zinc/00/91/25/607009125.db2.gz ALYMJDBUNIFIAE-SNVBAGLBSA-N -1 3 375.414 0.096 20 30 GCEDHM CC(C)N(CCC#N)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820444231 607018192 /nfs/dbraw/zinc/01/81/92/607018192.db2.gz HVCHHMJOAHGUSN-LBPRGKRZSA-N -1 3 391.457 0.684 20 30 GCEDHM CC(C)N(CCC#N)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820444231 607018194 /nfs/dbraw/zinc/01/81/94/607018194.db2.gz HVCHHMJOAHGUSN-LBPRGKRZSA-N -1 3 391.457 0.684 20 30 GCEDHM CCC[C@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821009379 607018475 /nfs/dbraw/zinc/01/84/75/607018475.db2.gz QAVHRZGZKQHNPO-CMPLNLGQSA-N -1 3 377.430 0.342 20 30 GCEDHM CCC[C@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821009379 607018476 /nfs/dbraw/zinc/01/84/76/607018476.db2.gz QAVHRZGZKQHNPO-CMPLNLGQSA-N -1 3 377.430 0.342 20 30 GCEDHM N#CCCN(CCN1CCOCC1)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822810199 607019498 /nfs/dbraw/zinc/01/94/98/607019498.db2.gz DLVRRKZQARQREI-UHFFFAOYSA-N -1 3 384.444 0.353 20 30 GCEDHM N#CCCN(CCN1CCOCC1)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822810199 607019499 /nfs/dbraw/zinc/01/94/99/607019499.db2.gz DLVRRKZQARQREI-UHFFFAOYSA-N -1 3 384.444 0.353 20 30 GCEDHM CC(C)C[C@@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820051076 607019980 /nfs/dbraw/zinc/01/99/80/607019980.db2.gz KPLKHGGGFZOBPA-YPMHNXCESA-N -1 3 391.457 0.588 20 30 GCEDHM CC(C)C[C@@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820051076 607019981 /nfs/dbraw/zinc/01/99/81/607019981.db2.gz KPLKHGGGFZOBPA-YPMHNXCESA-N -1 3 391.457 0.588 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1(C#N)CCCC1 ZINC000820438628 607022722 /nfs/dbraw/zinc/02/27/22/607022722.db2.gz TXGMQTFNJYZCDY-LLVKDONJSA-N -1 3 389.441 0.486 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(C#N)CCCC1 ZINC000820438628 607022724 /nfs/dbraw/zinc/02/27/24/607022724.db2.gz TXGMQTFNJYZCDY-LLVKDONJSA-N -1 3 389.441 0.486 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC1(C#N)CCC1 ZINC000820451008 607091886 /nfs/dbraw/zinc/09/18/86/607091886.db2.gz QUXNFOBKVPTMEQ-JTQLQIEISA-N -1 3 376.398 0.523 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC1(C#N)CCC1 ZINC000820451008 607091887 /nfs/dbraw/zinc/09/18/87/607091887.db2.gz QUXNFOBKVPTMEQ-JTQLQIEISA-N -1 3 376.398 0.523 20 30 GCEDHM C#CCN(CC)C(=O)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000823845419 607772603 /nfs/dbraw/zinc/77/26/03/607772603.db2.gz RHPMAMIFNPMZBG-UHFFFAOYSA-N -1 3 385.384 0.855 20 30 GCEDHM C#CCN(CC)C(=O)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000823845419 607772604 /nfs/dbraw/zinc/77/26/04/607772604.db2.gz RHPMAMIFNPMZBG-UHFFFAOYSA-N -1 3 385.384 0.855 20 30 GCEDHM N#Cc1ccc(C(=O)NC2CCC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)[nH]1 ZINC000826384521 607822811 /nfs/dbraw/zinc/82/28/11/607822811.db2.gz YUFGQZNQMDDMNJ-UHFFFAOYSA-N -1 3 393.411 0.866 20 30 GCEDHM N#Cc1ccc(C(=O)NC2CCC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)[nH]1 ZINC000826384521 607822812 /nfs/dbraw/zinc/82/28/12/607822812.db2.gz YUFGQZNQMDDMNJ-UHFFFAOYSA-N -1 3 393.411 0.866 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826477345 607950427 /nfs/dbraw/zinc/95/04/27/607950427.db2.gz ALRYUZLQOIWXKJ-FBMGVBCBSA-N -1 3 379.380 0.672 20 30 GCEDHM C#CCN(C(=O)c1ncc(-c2nnn[n-]2)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000823846085 607961625 /nfs/dbraw/zinc/96/16/25/607961625.db2.gz YRPVMBWTUGRGFP-JTQLQIEISA-N -1 3 380.817 0.178 20 30 GCEDHM C#CCN(C(=O)c1ncc(-c2nn[n-]n2)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000823846085 607961626 /nfs/dbraw/zinc/96/16/26/607961626.db2.gz YRPVMBWTUGRGFP-JTQLQIEISA-N -1 3 380.817 0.178 20 30 GCEDHM C=CCN(CC(=O)OCC)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000823904244 607963102 /nfs/dbraw/zinc/96/31/02/607963102.db2.gz XROMQXPDCZPXQW-UHFFFAOYSA-N -1 3 396.411 0.826 20 30 GCEDHM C=CCN(CC(=O)OCC)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000823904244 607963103 /nfs/dbraw/zinc/96/31/03/607963103.db2.gz XROMQXPDCZPXQW-UHFFFAOYSA-N -1 3 396.411 0.826 20 30 GCEDHM CC#CCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1-c1nnn[n-]1 ZINC000823937395 608096670 /nfs/dbraw/zinc/09/66/70/608096670.db2.gz VZMBARFDOQAIBS-CYBMUJFWSA-N -1 3 383.437 0.958 20 30 GCEDHM CC#CCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1-c1nn[n-]n1 ZINC000823937395 608096671 /nfs/dbraw/zinc/09/66/71/608096671.db2.gz VZMBARFDOQAIBS-CYBMUJFWSA-N -1 3 383.437 0.958 20 30 GCEDHM C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824977955 608167995 /nfs/dbraw/zinc/16/79/95/608167995.db2.gz TXALCVCIXVQYIP-JTQLQIEISA-N -1 3 379.384 0.381 20 30 GCEDHM C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824977955 608167997 /nfs/dbraw/zinc/16/79/97/608167997.db2.gz TXALCVCIXVQYIP-JTQLQIEISA-N -1 3 379.384 0.381 20 30 GCEDHM O=C1N=C(NN=Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)NC1=O ZINC000826482102 608229655 /nfs/dbraw/zinc/22/96/55/608229655.db2.gz RTWJMEYGTJECIF-UHFFFAOYSA-N -1 3 390.363 0.382 20 30 GCEDHM N#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[nH]1 ZINC000826384516 608277461 /nfs/dbraw/zinc/27/74/61/608277461.db2.gz YSARFSSBFIJURH-LLVKDONJSA-N -1 3 379.384 0.429 20 30 GCEDHM N#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[nH]1 ZINC000826384516 608277462 /nfs/dbraw/zinc/27/74/62/608277462.db2.gz YSARFSSBFIJURH-LLVKDONJSA-N -1 3 379.384 0.429 20 30 GCEDHM N#C[C@H]1CSCCN1CN1CC(=O)N(Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000826380601 608399580 /nfs/dbraw/zinc/39/95/80/608399580.db2.gz HDAGEEWDRKTSSC-ZDUSSCGKSA-N -1 3 398.452 0.529 20 30 GCEDHM N#C[C@H]1CSCCN1CN1CC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000826380601 608399581 /nfs/dbraw/zinc/39/95/81/608399581.db2.gz HDAGEEWDRKTSSC-ZDUSSCGKSA-N -1 3 398.452 0.529 20 30 GCEDHM C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000823888728 608470229 /nfs/dbraw/zinc/47/02/29/608470229.db2.gz UXZQNGMKBQERLI-LBPRGKRZSA-N -1 3 388.428 0.893 20 30 GCEDHM C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000823888728 608470230 /nfs/dbraw/zinc/47/02/30/608470230.db2.gz UXZQNGMKBQERLI-LBPRGKRZSA-N -1 3 388.428 0.893 20 30 GCEDHM CC(C)[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)N1CCCS1(=O)=O ZINC000824184657 608493654 /nfs/dbraw/zinc/49/36/54/608493654.db2.gz HYDYORLOLXECTQ-CQSZACIVSA-N -1 3 389.441 0.737 20 30 GCEDHM CC(C)[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)N1CCCS1(=O)=O ZINC000824184657 608493655 /nfs/dbraw/zinc/49/36/55/608493655.db2.gz HYDYORLOLXECTQ-CQSZACIVSA-N -1 3 389.441 0.737 20 30 GCEDHM CC(C)[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)N1CCCS1(=O)=O ZINC000824184646 608493657 /nfs/dbraw/zinc/49/36/57/608493657.db2.gz HYDYORLOLXECTQ-AWEZNQCLSA-N -1 3 389.441 0.737 20 30 GCEDHM CC(C)[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)N1CCCS1(=O)=O ZINC000824184646 608493658 /nfs/dbraw/zinc/49/36/58/608493658.db2.gz HYDYORLOLXECTQ-AWEZNQCLSA-N -1 3 389.441 0.737 20 30 GCEDHM CC(C)[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)N1CCCS1(=O)=O ZINC000824184929 608493798 /nfs/dbraw/zinc/49/37/98/608493798.db2.gz OFQBLCQKMPRQPX-CQSZACIVSA-N -1 3 389.441 0.737 20 30 GCEDHM CC(C)[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)N1CCCS1(=O)=O ZINC000824184929 608493799 /nfs/dbraw/zinc/49/37/99/608493799.db2.gz OFQBLCQKMPRQPX-CQSZACIVSA-N -1 3 389.441 0.737 20 30 GCEDHM CN(CCC#N)S(=O)(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000825915232 608569018 /nfs/dbraw/zinc/56/90/18/608569018.db2.gz VOXCUIWBHSWHIM-UHFFFAOYSA-N -1 3 387.429 0.437 20 30 GCEDHM CN(CCC#N)S(=O)(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000825915232 608569021 /nfs/dbraw/zinc/56/90/21/608569021.db2.gz VOXCUIWBHSWHIM-UHFFFAOYSA-N -1 3 387.429 0.437 20 30 GCEDHM N#C[C@@H]1CN(C(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)CCO1 ZINC000826381026 608623711 /nfs/dbraw/zinc/62/37/11/608623711.db2.gz VJPQOUINCBXRGX-YMAMQOFZSA-N -1 3 398.427 0.886 20 30 GCEDHM N#C[C@@H]1CN(C(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)CCO1 ZINC000826381026 608623712 /nfs/dbraw/zinc/62/37/12/608623712.db2.gz VJPQOUINCBXRGX-YMAMQOFZSA-N -1 3 398.427 0.886 20 30 GCEDHM N#Cc1nc(N)n(CCCC(=O)ONC(=N)c2cccs2)c1-c1nnn[n-]1 ZINC000826387776 609177087 /nfs/dbraw/zinc/17/70/87/609177087.db2.gz QIPZPEFWDRYUOL-UHFFFAOYSA-N -1 3 386.401 0.222 20 30 GCEDHM N#Cc1nc(N)n(CCCC(=O)ONC(=N)c2cccs2)c1-c1nn[n-]n1 ZINC000826387776 609177089 /nfs/dbraw/zinc/17/70/89/609177089.db2.gz QIPZPEFWDRYUOL-UHFFFAOYSA-N -1 3 386.401 0.222 20 30 GCEDHM N#Cc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)c[nH]1 ZINC000826383803 609229933 /nfs/dbraw/zinc/22/99/33/609229933.db2.gz RADQPPXYAKUURP-JOCQHMNTSA-N -1 3 393.411 0.866 20 30 GCEDHM N#Cc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)c[nH]1 ZINC000826383803 609229934 /nfs/dbraw/zinc/22/99/34/609229934.db2.gz RADQPPXYAKUURP-JOCQHMNTSA-N -1 3 393.411 0.866 20 30 GCEDHM Cc1cc(NC(=O)NCCNc2ncccc2-c2nnn[n-]2)nn1CCC#N ZINC000826269958 609274074 /nfs/dbraw/zinc/27/40/74/609274074.db2.gz DPDQYEKJKGHMSO-UHFFFAOYSA-N -1 3 381.404 0.914 20 30 GCEDHM Cc1cc(NC(=O)NCCNc2ncccc2-c2nn[n-]n2)nn1CCC#N ZINC000826269958 609274076 /nfs/dbraw/zinc/27/40/76/609274076.db2.gz DPDQYEKJKGHMSO-UHFFFAOYSA-N -1 3 381.404 0.914 20 30 GCEDHM CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000825937644 609299278 /nfs/dbraw/zinc/29/92/78/609299278.db2.gz FRCVLEFTDVHVTO-UHFFFAOYSA-N -1 3 380.416 0.818 20 30 GCEDHM CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000825937644 609299279 /nfs/dbraw/zinc/29/92/79/609299279.db2.gz FRCVLEFTDVHVTO-UHFFFAOYSA-N -1 3 380.416 0.818 20 30 GCEDHM CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000825938042 609302820 /nfs/dbraw/zinc/30/28/20/609302820.db2.gz NDUBWHMTXLCYEW-UHFFFAOYSA-N -1 3 398.406 0.957 20 30 GCEDHM CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000825938042 609302822 /nfs/dbraw/zinc/30/28/22/609302822.db2.gz NDUBWHMTXLCYEW-UHFFFAOYSA-N -1 3 398.406 0.957 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC(C)(C)C#N ZINC000824640244 609358397 /nfs/dbraw/zinc/35/83/97/609358397.db2.gz DWSJVBORKZFVSM-JTQLQIEISA-N -1 3 378.414 0.626 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC(C)(C)C#N ZINC000824640244 609358400 /nfs/dbraw/zinc/35/84/00/609358400.db2.gz DWSJVBORKZFVSM-JTQLQIEISA-N -1 3 378.414 0.626 20 30 GCEDHM C#CCCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000823841554 609365352 /nfs/dbraw/zinc/36/53/52/609365352.db2.gz OUJGDLTVUVLSGK-UHFFFAOYSA-N -1 3 382.359 0.660 20 30 GCEDHM CC(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC000824191405 609457739 /nfs/dbraw/zinc/45/77/39/609457739.db2.gz DEEFMVNMEYUPOW-AWEZNQCLSA-N -1 3 381.400 0.579 20 30 GCEDHM CC(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC000824191405 609457743 /nfs/dbraw/zinc/45/77/43/609457743.db2.gz DEEFMVNMEYUPOW-AWEZNQCLSA-N -1 3 381.400 0.579 20 30 GCEDHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC000824238087 609458157 /nfs/dbraw/zinc/45/81/57/609458157.db2.gz ZPJWXYLFDPVVFG-AWEZNQCLSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC000824238087 609458159 /nfs/dbraw/zinc/45/81/59/609458159.db2.gz ZPJWXYLFDPVVFG-AWEZNQCLSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)[C@](C)(CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC000824191041 609460197 /nfs/dbraw/zinc/46/01/97/609460197.db2.gz CJLQDFISWHWDTQ-SFHVURJKSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)[C@](C)(CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC000824191041 609460199 /nfs/dbraw/zinc/46/01/99/609460199.db2.gz CJLQDFISWHWDTQ-SFHVURJKSA-N -1 3 395.427 0.969 20 30 GCEDHM N#CCCCS(=O)(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826381586 609587187 /nfs/dbraw/zinc/58/71/87/609587187.db2.gz RBRLGWMVNPGZRY-AWEZNQCLSA-N -1 3 389.441 0.585 20 30 GCEDHM N#Cc1ccc(N2CCC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2=O)cc1 ZINC000826385754 609607094 /nfs/dbraw/zinc/60/70/94/609607094.db2.gz ZCCZOQKZCKWSDI-AWEZNQCLSA-N -1 3 376.380 0.992 20 30 GCEDHM N#Cc1ccc(N2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2=O)cc1 ZINC000826385754 609607095 /nfs/dbraw/zinc/60/70/95/609607095.db2.gz ZCCZOQKZCKWSDI-AWEZNQCLSA-N -1 3 376.380 0.992 20 30 GCEDHM N#Cc1ccc([C@H](O)C(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826384919 609634283 /nfs/dbraw/zinc/63/42/83/609634283.db2.gz PBOBBRUDHJQSLM-INIZCTEOSA-N -1 3 378.348 0.954 20 30 GCEDHM N#Cc1ccc([C@H](O)C(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826384919 609634284 /nfs/dbraw/zinc/63/42/84/609634284.db2.gz PBOBBRUDHJQSLM-INIZCTEOSA-N -1 3 378.348 0.954 20 30 GCEDHM CC(=O)Nc1ncccc1[N-]S(=O)(=O)CCCS(=O)(=O)NCCC#N ZINC000349586449 639616455 /nfs/dbraw/zinc/61/64/55/639616455.db2.gz BMCAOUUOAGQUBT-UHFFFAOYSA-N -1 3 389.459 0.005 20 30 GCEDHM N#CCNC(=O)COC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000731238571 639757981 /nfs/dbraw/zinc/75/79/81/639757981.db2.gz BXFGALYVCFERQO-UHFFFAOYSA-N -1 3 394.236 0.845 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCCS(C)(=O)=O)ccc1F ZINC000919887086 639908611 /nfs/dbraw/zinc/90/86/11/639908611.db2.gz BFRAWYLRDKTYCB-UHFFFAOYSA-N -1 3 378.447 0.455 20 30 GCEDHM COC(=O)c1ccc(S(=O)(=O)[N-]CCNC(=O)C2N=CC=CC2=O)s1 ZINC000735080499 640012637 /nfs/dbraw/zinc/01/26/37/640012637.db2.gz IAMYMSBRECBGGD-SEYXRHQNSA-N -1 3 385.423 0.339 20 30 GCEDHM C=C(C)CN(CC)C(=O)COC(=O)c1ccc(S(=O)(=O)[N-]CCO)s1 ZINC000745151184 640278194 /nfs/dbraw/zinc/27/81/94/640278194.db2.gz FHCKAOCOGQGCNO-UHFFFAOYSA-N -1 3 390.483 0.600 20 30 GCEDHM C[C@@H](CC(=O)OCCCS(C)(=O)=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745495298 640282113 /nfs/dbraw/zinc/28/21/13/640282113.db2.gz FURRRIIHSOXVCZ-NSHDSACASA-N -1 3 388.467 0.482 20 30 GCEDHM C#CCN1CCN(C(=O)C[C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)CC1 ZINC000760586571 640575738 /nfs/dbraw/zinc/57/57/38/640575738.db2.gz YNVXUZLUKZMOFO-CYBMUJFWSA-N -1 3 384.889 0.569 20 30 GCEDHM CSC[C@H](CCO)NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000761914182 640597838 /nfs/dbraw/zinc/59/78/38/640597838.db2.gz CHCSHFWMYVJYRY-RYUDHWBXSA-N -1 3 385.511 0.734 20 30 GCEDHM C[C@H](CC(=O)NCCSCCCO)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000769227462 640770084 /nfs/dbraw/zinc/77/00/84/640770084.db2.gz IIYZTENVNWRJTJ-GFCCVEGCSA-N -1 3 385.511 0.736 20 30 GCEDHM C[C@H](CC(=O)N1CCSC[C@@H]1C#N)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000775575410 641078151 /nfs/dbraw/zinc/07/81/51/641078151.db2.gz CAKHUGOIRIAYGK-NEPJUHHUSA-N -1 3 378.479 0.971 20 30 GCEDHM COC[C@@H](C#N)OC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000785272284 641306032 /nfs/dbraw/zinc/30/60/32/641306032.db2.gz RERBOUPUCNFORI-SSDOTTSWSA-N -1 3 383.245 0.871 20 30 GCEDHM CS(=O)(=O)CCn1cccc([N-]S(=O)(=O)c2ccc(C#N)s2)c1=O ZINC000797818212 641573321 /nfs/dbraw/zinc/57/33/21/641573321.db2.gz RVDQGRDPPZPJQW-UHFFFAOYSA-N -1 3 387.464 0.627 20 30 GCEDHM C#CCC[C@@H](O)CNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000799080624 641600629 /nfs/dbraw/zinc/60/06/29/641600629.db2.gz KQLWCWGZXRVWCB-SECBINFHSA-N -1 3 395.300 0.679 20 30 GCEDHM C[C@H](CC(=O)NCC1([S@](C)=O)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000799776882 641615194 /nfs/dbraw/zinc/61/51/94/641615194.db2.gz GYZAWRNGANABCJ-JNDILOIQSA-N -1 3 383.495 0.531 20 30 GCEDHM C#C[C@@H]([N-]S(=O)(=O)c1cnn2cc(Br)cnc12)[C@@H]1CCCO1 ZINC000882082710 641690555 /nfs/dbraw/zinc/69/05/55/641690555.db2.gz RBJJGPGTAFWLOS-MNOVXSKESA-N -1 3 385.243 0.951 20 30 GCEDHM Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)N[C@@H]2CNC[C@H]2C#N)cn1 ZINC000834494076 642213322 /nfs/dbraw/zinc/21/33/22/642213322.db2.gz JTMBWYCYLKOGDI-MWLCHTKSSA-N -1 3 380.455 0.124 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867429130 642491294 /nfs/dbraw/zinc/49/12/94/642491294.db2.gz UYDIKWKOUGDSFM-IUCAKERBSA-N -1 3 397.238 0.894 20 30 GCEDHM C#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1F ZINC000848958384 642571216 /nfs/dbraw/zinc/57/12/16/642571216.db2.gz MKWXCTIRQWWHMM-UHFFFAOYSA-N -1 3 375.447 0.780 20 30 GCEDHM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1F)C(C)C ZINC000848963556 642594938 /nfs/dbraw/zinc/59/49/38/642594938.db2.gz VIUCMANTQFMUGZ-CYBMUJFWSA-N -1 3 377.463 0.930 20 30 GCEDHM C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1c(C)n[nH]c1C(F)F ZINC000848964877 642601028 /nfs/dbraw/zinc/60/10/28/642601028.db2.gz FYQLRTJLJULAFX-MRVPVSSYSA-N -1 3 384.430 0.729 20 30 GCEDHM C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1cnccc1SC ZINC000848965244 642602534 /nfs/dbraw/zinc/60/25/34/642602534.db2.gz LUVIINRZUWGLNB-LLVKDONJSA-N -1 3 377.513 0.876 20 30 GCEDHM C#CC[C@H](CO)NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000854546973 642832868 /nfs/dbraw/zinc/83/28/68/642832868.db2.gz PBVPMUTYSZVUMY-MRVPVSSYSA-N -1 3 381.273 0.289 20 30 GCEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(Br)ccc1-n1cnnn1 ZINC000854648655 642843168 /nfs/dbraw/zinc/84/31/68/642843168.db2.gz HIYXEHGIZBTSAG-JTQLQIEISA-N -1 3 381.190 0.535 20 30 GCEDHM C[S@](=O)[C@@H]1CCC[C@H](NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000857305351 642938303 /nfs/dbraw/zinc/93/83/03/642938303.db2.gz DGZYWKRSYNEIKI-ZBWQRKBMSA-N -1 3 383.495 0.531 20 30 GCEDHM COC(=O)CCN1CC[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1=O ZINC000500483617 1192626217 /nfs/dbraw/zinc/62/62/17/1192626217.db2.gz RZNJIVLLGCVOJU-HNNXBMFYSA-N -1 3 388.424 0.489 20 30 GCEDHM Cn1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3ccc(C#N)cc3F)C2=O)n1 ZINC000610267287 1184680932 /nfs/dbraw/zinc/68/09/32/1184680932.db2.gz NQFAYWCEKAHSIX-CYBMUJFWSA-N -1 3 377.401 0.905 20 30 GCEDHM CC(C)N1CCC[C@@H](OC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1=O ZINC000748158028 1185131118 /nfs/dbraw/zinc/13/11/18/1185131118.db2.gz LWHBDLKTZHZGGH-CYBMUJFWSA-N -1 3 379.438 0.668 20 30 GCEDHM Cn1ccnc1[C@@](O)(CC[N-]S(=O)(=O)c1cccnc1C#N)C(F)(F)F ZINC000277098634 1186238906 /nfs/dbraw/zinc/23/89/06/1186238906.db2.gz WLUJXVVXYNBUMP-ZDUSSCGKSA-N -1 3 389.359 0.805 20 30 GCEDHM CCOC(=O)c1nnc(C2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)[n-]1 ZINC000277642970 1186550915 /nfs/dbraw/zinc/55/09/15/1186550915.db2.gz DPPVDAZIFHRPBQ-UHFFFAOYSA-N -1 3 390.425 0.816 20 30 GCEDHM CCOC(=O)c1nc(C2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)n[n-]1 ZINC000277642970 1186550916 /nfs/dbraw/zinc/55/09/16/1186550916.db2.gz DPPVDAZIFHRPBQ-UHFFFAOYSA-N -1 3 390.425 0.816 20 30 GCEDHM C#CCNC(=O)CN1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000728535123 1186735698 /nfs/dbraw/zinc/73/56/98/1186735698.db2.gz ZXGBHRICWSWVMU-UHFFFAOYSA-N -1 3 383.452 0.102 20 30 GCEDHM CC(C)(C#N)CS(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001211622701 1187088193 /nfs/dbraw/zinc/08/81/93/1187088193.db2.gz REOJXKLXHWJAOL-UHFFFAOYSA-N -1 3 381.426 0.712 20 30 GCEDHM C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001023865890 1187161086 /nfs/dbraw/zinc/16/10/86/1187161086.db2.gz SGSQTDMSEJMNRK-MPESAESLSA-N -1 3 385.424 0.241 20 30 GCEDHM N#Cc1cc(F)c(S(=O)(=O)[N-]CCCN2CCC[C@H](C(N)=O)C2)c(F)c1 ZINC000124962328 1189936285 /nfs/dbraw/zinc/93/62/85/1189936285.db2.gz LMAUJZBZNLULNV-LBPRGKRZSA-N -1 3 386.424 0.702 20 30 GCEDHM Cn1c(NC2CCN(C(=O)c3ccccc3[O-])CC2)c(C#N)c(=O)n(C)c1=O ZINC000436937720 1195049442 /nfs/dbraw/zinc/04/94/42/1195049442.db2.gz RBYSVCSIWXFJPS-UHFFFAOYSA-N -1 3 383.408 0.378 20 30 GCEDHM COc1ccc(C#N)cc1NC(=O)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436991424 1195054053 /nfs/dbraw/zinc/05/40/53/1195054053.db2.gz XYZKTHMIGSDVIX-UHFFFAOYSA-N -1 3 382.376 0.757 20 30 GCEDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000427159511 1195511880 /nfs/dbraw/zinc/51/18/80/1195511880.db2.gz GKSJPJKQKFMTEY-SECBINFHSA-N -1 3 377.382 0.373 20 30 GCEDHM CC(C)NC(=O)CN1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000331163251 1195721492 /nfs/dbraw/zinc/72/14/92/1195721492.db2.gz LPWMAQUINMLYFP-UHFFFAOYSA-N -1 3 377.371 0.380 20 30 GCEDHM CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000331247338 1195725803 /nfs/dbraw/zinc/72/58/03/1195725803.db2.gz VRYQLZFXINZIFT-AWEZNQCLSA-N -1 3 380.470 0.876 20 30 GCEDHM COc1cc(C[N-]S(=O)(=O)c2cccnc2C#N)ccc1OCC(N)=O ZINC000428245613 1195960731 /nfs/dbraw/zinc/96/07/31/1195960731.db2.gz QGUUVOWIOYGZHW-UHFFFAOYSA-N -1 3 376.394 0.304 20 30 GCEDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000522257793 1196068749 /nfs/dbraw/zinc/06/87/49/1196068749.db2.gz XBVNJPHGECZCLV-AWEZNQCLSA-N -1 3 377.426 0.120 20 30 GCEDHM CC(C)C[C@@H]([N-]S(=O)(=O)N(C)C[C@H](C)C#N)c1nc(-c2nc[nH]n2)no1 ZINC000281789513 1196334281 /nfs/dbraw/zinc/33/42/81/1196334281.db2.gz OFVKBAZZZZDMDZ-GHMZBOCLSA-N -1 3 382.450 0.868 20 30 GCEDHM C=CCNS(=O)(=O)c1ccc(C(=O)Nc2n[n-]c(CC(=O)OC)n2)cc1 ZINC000522866740 1196355902 /nfs/dbraw/zinc/35/59/02/1196355902.db2.gz PVSJGBVQRFVUQN-UHFFFAOYSA-N -1 3 379.398 0.237 20 30 GCEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)[C@@H]1CCNC1=O ZINC000760103176 1196381090 /nfs/dbraw/zinc/38/10/90/1196381090.db2.gz CSBXFCUCVXPHGJ-UONOGXRCSA-N -1 3 392.481 0.631 20 30 GCEDHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Cn3cnc(C#N)n3)c2)[n-]1 ZINC000447680031 1196740310 /nfs/dbraw/zinc/74/03/10/1196740310.db2.gz QCJBMTZEKWJMJY-UHFFFAOYSA-N -1 3 380.368 0.428 20 30 GCEDHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Cn3cnc(C#N)n3)c2)n[n-]1 ZINC000447680031 1196740315 /nfs/dbraw/zinc/74/03/15/1196740315.db2.gz QCJBMTZEKWJMJY-UHFFFAOYSA-N -1 3 380.368 0.428 20 30 GCEDHM Cc1nn(C)c(N2CCN(C(=O)CNC(=O)c3ccc([O-])cc3)CC2)c1C#N ZINC000530363417 1196982385 /nfs/dbraw/zinc/98/23/85/1196982385.db2.gz JXFTYNXKXGXZFQ-UHFFFAOYSA-N -1 3 382.424 0.384 20 30 GCEDHM N#CC1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccc3c(n2)CCC3)C1 ZINC000349607355 1197261249 /nfs/dbraw/zinc/26/12/49/1197261249.db2.gz ZIAVIDBBYJQOMN-UHFFFAOYSA-N -1 3 398.510 0.877 20 30 GCEDHM Cn1c2ncn(CCC(=O)Nc3nnc(C(F)(F)F)[n-]3)c2c(=O)n(C)c1=O ZINC000026253473 1197332585 /nfs/dbraw/zinc/33/25/85/1197332585.db2.gz ZREQDLZTGDJNDE-UHFFFAOYSA-N -1 3 386.294 0.249 20 30 GCEDHM Cn1c2ncn(CCC(=O)Nc3nc(C(F)(F)F)n[n-]3)c2c(=O)n(C)c1=O ZINC000026253473 1197332588 /nfs/dbraw/zinc/33/25/88/1197332588.db2.gz ZREQDLZTGDJNDE-UHFFFAOYSA-N -1 3 386.294 0.249 20 30 GCEDHM Cc1ncc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c(=O)[n-]1 ZINC000543318406 1199654337 /nfs/dbraw/zinc/65/43/37/1199654337.db2.gz XWEQQYYRGIXLHI-UHFFFAOYSA-N -1 3 375.410 0.299 20 30 GCEDHM C[C@H](CC(=O)N1CCN2C(=O)CC[C@@H]2C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000766046550 1200067366 /nfs/dbraw/zinc/06/73/66/1200067366.db2.gz CDYOTSQKMPFRKS-CHWSQXEVSA-N -1 3 390.465 0.337 20 30 GCEDHM CCOC(=O)c1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)[n-]n1 ZINC000542833036 1200936936 /nfs/dbraw/zinc/93/69/36/1200936936.db2.gz NDJANNGISXVFHQ-JTQLQIEISA-N -1 3 391.409 0.764 20 30 GCEDHM CCOC(=O)c1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)n[n-]1 ZINC000542833036 1200936941 /nfs/dbraw/zinc/93/69/41/1200936941.db2.gz NDJANNGISXVFHQ-JTQLQIEISA-N -1 3 391.409 0.764 20 30 GCEDHM CCOC(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)[n-]n1 ZINC000542834774 1200937358 /nfs/dbraw/zinc/93/73/58/1200937358.db2.gz QKGQAGMXQKCVJE-UHFFFAOYSA-N -1 3 391.409 0.717 20 30 GCEDHM CCOC(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)n[n-]1 ZINC000542834774 1200937363 /nfs/dbraw/zinc/93/73/63/1200937363.db2.gz QKGQAGMXQKCVJE-UHFFFAOYSA-N -1 3 391.409 0.717 20 30 GCEDHM Cn1cc(C#N)c(NC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC000619662421 1201071651 /nfs/dbraw/zinc/07/16/51/1201071651.db2.gz ZMLAISKSWJHROY-UHFFFAOYSA-N -1 3 384.368 0.670 20 30 GCEDHM CN(Cc1cc(=O)[n-]c(N)n1)[C@H]1CCN(C(=O)Cc2c(F)cccc2C#N)C1 ZINC000552466195 1201114107 /nfs/dbraw/zinc/11/41/07/1201114107.db2.gz WDVZPFJQLGICRL-AWEZNQCLSA-N -1 3 384.415 1.051 20 30 GCEDHM C[C@@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)Nc1ccccc1 ZINC000732543417 1201547442 /nfs/dbraw/zinc/54/74/42/1201547442.db2.gz XFSXTBBWKQNHOP-GFCCVEGCSA-N -1 3 386.433 0.869 20 30 GCEDHM CC(=O)NCc1ccc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000733113920 1201574886 /nfs/dbraw/zinc/57/48/86/1201574886.db2.gz IJURZKJKONXRJG-UHFFFAOYSA-N -1 3 386.433 1.000 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000735847797 1201703204 /nfs/dbraw/zinc/70/32/04/1201703204.db2.gz SPBWYKSKWBUFDB-VHEBQXMUSA-N -1 3 398.419 0.593 20 30 GCEDHM CCO[C@@H](C)c1noc(COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000736742971 1201716860 /nfs/dbraw/zinc/71/68/60/1201716860.db2.gz JJKCLFLAPTVXNE-JTQLQIEISA-N -1 3 394.409 0.949 20 30 GCEDHM C[C@@H](CC(=O)N1CCC(C(N)=O)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742470596 1201797693 /nfs/dbraw/zinc/79/76/93/1201797693.db2.gz WANYXGRTXNRXRB-NSHDSACASA-N -1 3 378.454 0.228 20 30 GCEDHM CC(=O)N1CCN(C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000742466506 1201797801 /nfs/dbraw/zinc/79/78/01/1201797801.db2.gz OWEXJTIXRRXDJA-GFCCVEGCSA-N -1 3 378.454 0.194 20 30 GCEDHM CC(=O)N1CCCN(C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000742500133 1201798604 /nfs/dbraw/zinc/79/86/04/1201798604.db2.gz DCENTKZXYCJMOU-CYBMUJFWSA-N -1 3 392.481 0.585 20 30 GCEDHM CNC(=O)C1CCN(C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000742503017 1201798775 /nfs/dbraw/zinc/79/87/75/1201798775.db2.gz RPWRRJYLIWSZBO-LBPRGKRZSA-N -1 3 392.481 0.488 20 30 GCEDHM CC(C)NC(=O)CN(C)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742487992 1201799021 /nfs/dbraw/zinc/79/90/21/1201799021.db2.gz CTEKHNHWYOGUKJ-GFCCVEGCSA-N -1 3 380.470 0.487 20 30 GCEDHM COC(=O)N1CCN(C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000742564210 1201799455 /nfs/dbraw/zinc/79/94/55/1201799455.db2.gz YRTBAKCPQSODOE-LBPRGKRZSA-N -1 3 394.453 0.414 20 30 GCEDHM CCOC(=O)CCCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742517299 1201799528 /nfs/dbraw/zinc/79/95/28/1201799528.db2.gz JRMADYWRZLVJDQ-LBPRGKRZSA-N -1 3 381.454 0.963 20 30 GCEDHM CNC(=O)[C@@H]1CCCCN1C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742532468 1201799601 /nfs/dbraw/zinc/79/96/01/1201799601.db2.gz LPDNBQNXVSJWID-JSGCOSHPSA-N -1 3 392.481 0.631 20 30 GCEDHM CCCCN(CC(N)=O)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742538100 1201800181 /nfs/dbraw/zinc/80/01/81/1201800181.db2.gz FSKCJMIMHCQNFS-LBPRGKRZSA-N -1 3 380.470 0.618 20 30 GCEDHM C[C@H](CC(=O)N[C@H](C)CN1CCOCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742542620 1201800291 /nfs/dbraw/zinc/80/02/91/1201800291.db2.gz WLJJQPUEMSHUNE-ZIAGYGMSSA-N -1 3 394.497 0.341 20 30 GCEDHM C[C@@H](CC(=O)NCCNc1cnccn1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742581819 1201801526 /nfs/dbraw/zinc/80/15/26/1201801526.db2.gz VNFFXKLYFNXCIW-LBPRGKRZSA-N -1 3 388.453 0.522 20 30 GCEDHM Cc1noc(CCCNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000742624283 1201802003 /nfs/dbraw/zinc/80/20/03/1201802003.db2.gz UQEKJHOEGJDWCT-LLVKDONJSA-N -1 3 391.453 0.944 20 30 GCEDHM CCN(CC(=O)N(C)C)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742637680 1201804101 /nfs/dbraw/zinc/80/41/01/1201804101.db2.gz BLWRILUQUFMSKG-GFCCVEGCSA-N -1 3 380.470 0.440 20 30 GCEDHM C[C@H](CC(=O)N[C@H]1CCCS(=O)(=O)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742662333 1201804765 /nfs/dbraw/zinc/80/47/65/1201804765.db2.gz IJSUVPNUKAPCTG-NEPJUHHUSA-N -1 3 399.494 0.197 20 30 GCEDHM C[C@H](CC(=O)NCC(=O)OC(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742680478 1201805045 /nfs/dbraw/zinc/80/50/45/1201805045.db2.gz OWMLNAYLJXRDSD-LLVKDONJSA-N -1 3 381.454 0.962 20 30 GCEDHM C[C@H](CC(=O)N1CCNC(=O)C[C@@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742708129 1201805086 /nfs/dbraw/zinc/80/50/86/1201805086.db2.gz VMQADKCSJFLVAZ-NEPJUHHUSA-N -1 3 378.454 0.241 20 30 GCEDHM C[C@H](CC(=O)NCCOC[C@@H]1CCCO1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742680673 1201805351 /nfs/dbraw/zinc/80/53/51/1201805351.db2.gz VSZUZFUNBUNDEH-KGLIPLIRSA-N -1 3 395.481 0.816 20 30 GCEDHM C[C@H](CC(=O)N1CCS(=O)(=O)C[C@@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742696433 1201805809 /nfs/dbraw/zinc/80/58/09/1201805809.db2.gz YEBJXXJGDZCFBK-NEPJUHHUSA-N -1 3 399.494 0.149 20 30 GCEDHM COC(=O)CC(C)(C)NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742699257 1201805893 /nfs/dbraw/zinc/80/58/93/1201805893.db2.gz YWIZWGUKDNIMTE-LLVKDONJSA-N -1 3 381.454 0.962 20 30 GCEDHM COC(=O)[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccccn1 ZINC000742792033 1201807820 /nfs/dbraw/zinc/80/78/20/1201807820.db2.gz QNNIPOLPZRZXBK-OAHLLOKOSA-N -1 3 388.405 0.151 20 30 GCEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC[C@@](C)(O)COC ZINC000743769456 1201823758 /nfs/dbraw/zinc/82/37/58/1201823758.db2.gz IFXSYTWFIUKURJ-KBXCAEBGSA-N -1 3 397.497 0.798 20 30 GCEDHM C[C@H](CC(=O)OCCNc1ncccn1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744096128 1201835308 /nfs/dbraw/zinc/83/53/08/1201835308.db2.gz RWGKVDZJIYSPND-GFCCVEGCSA-N -1 3 389.437 0.949 20 30 GCEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCCNC(N)=O ZINC000744145921 1201836626 /nfs/dbraw/zinc/83/66/26/1201836626.db2.gz IZEIOCHYQJGWSD-CYBMUJFWSA-N -1 3 396.469 0.886 20 30 GCEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCCNC(N)=O ZINC000744147869 1201837040 /nfs/dbraw/zinc/83/70/40/1201837040.db2.gz URWXXIIEPQOCSU-CYBMUJFWSA-N -1 3 396.469 0.741 20 30 GCEDHM CC#CCOC(=O)[C@@H](CCS(C)(=O)=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000744543033 1201846646 /nfs/dbraw/zinc/84/66/46/1201846646.db2.gz QNZQBEXHVYPCSJ-SCOADAFUSA-N -1 3 399.490 0.947 20 30 GCEDHM C[C@@H](CC(=O)N1CC(=O)Nc2cnccc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744613018 1201848231 /nfs/dbraw/zinc/84/82/31/1201848231.db2.gz ACXUFJFFMZDAIX-NSHDSACASA-N -1 3 399.432 0.884 20 30 GCEDHM C[C@@H]1CN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C[C@H](C(F)(F)F)O1 ZINC000744730113 1201852971 /nfs/dbraw/zinc/85/29/71/1201852971.db2.gz PHMYPUBYTFJGET-BXKDBHETSA-N -1 3 391.371 0.903 20 30 GCEDHM C[C@H](CC(=O)OCC(=O)NCC1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745495858 1201879478 /nfs/dbraw/zinc/87/94/78/1201879478.db2.gz KAFMCKIGHZWGLN-LLVKDONJSA-N -1 3 379.438 0.573 20 30 GCEDHM C[C@@H](CC(=O)OCc1nnnn1C1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745495807 1201879651 /nfs/dbraw/zinc/87/96/51/1201879651.db2.gz IUSYUFCRKRCCJA-JTQLQIEISA-N -1 3 390.425 0.569 20 30 GCEDHM CCCNC(=O)[C@H](C)OC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745495219 1201879722 /nfs/dbraw/zinc/87/97/22/1201879722.db2.gz FMMBEUQPZQLZEK-NEPJUHHUSA-N -1 3 381.454 0.962 20 30 GCEDHM C[C@H](CC(=O)OCC(=O)N1CCCC1=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496707 1201879809 /nfs/dbraw/zinc/87/98/09/1201879809.db2.gz NUKPXITUAGHHSS-LLVKDONJSA-N -1 3 393.421 0.196 20 30 GCEDHM C[C@H](CC(=O)OCCCN1CCOC1=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745498701 1201880298 /nfs/dbraw/zinc/88/02/98/1201880298.db2.gz ZVJGBQMGDBEGTP-GFCCVEGCSA-N -1 3 395.437 0.889 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N[C@H](CO)c1cccc(F)c1 ZINC000771112829 1202125722 /nfs/dbraw/zinc/12/57/22/1202125722.db2.gz ZCLMGFNNVSKXIB-CQSZACIVSA-N -1 3 377.397 0.714 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](O)COCC2CC2)ccc1F ZINC000771598883 1202150348 /nfs/dbraw/zinc/15/03/48/1202150348.db2.gz WZYGRRACKHSLMP-AWEZNQCLSA-N -1 3 386.445 0.807 20 30 GCEDHM C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)C(=O)[N-]C3=O)C2 ZINC001109998318 1202170974 /nfs/dbraw/zinc/17/09/74/1202170974.db2.gz SLALMXXMPHDBJL-KCXAZCMYSA-N -1 3 382.420 0.208 20 30 GCEDHM C[C@H](CC(=O)N1C[C@@H](C)S(=O)[C@@H](C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000791175332 1205474386 /nfs/dbraw/zinc/47/43/86/1205474386.db2.gz SGYVLFAXQHAZRO-XRPUMTGOSA-N -1 3 397.522 0.872 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OC[C@@H]1CC2(CCC2)C(=O)O1 ZINC000791273835 1205475721 /nfs/dbraw/zinc/47/57/21/1205475721.db2.gz CGZXEUBUFJVTCA-NSHDSACASA-N -1 3 378.406 0.754 20 30 GCEDHM C[C@H](CC(=O)OCC(=O)c1cnccn1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000791971949 1205482409 /nfs/dbraw/zinc/48/24/09/1205482409.db2.gz VMLRGJPRGFUVTB-LLVKDONJSA-N -1 3 388.405 0.720 20 30 GCEDHM C[C@@H](CNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)NC(=O)OC(C)(C)C ZINC000792508542 1205489163 /nfs/dbraw/zinc/48/91/63/1205489163.db2.gz HGNRWMPDPGYGEC-NSHDSACASA-N -1 3 396.469 0.755 20 30 GCEDHM C[C@@H](CC(=O)NCc1nc(N(C)C)no1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000793850467 1205507784 /nfs/dbraw/zinc/50/77/84/1205507784.db2.gz IQMWOWXKXBBPJM-JTQLQIEISA-N -1 3 392.441 0.269 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NCc1nccc(C(F)F)n1 ZINC000805322551 1205534725 /nfs/dbraw/zinc/53/47/25/1205534725.db2.gz CAGWEYGRNSTCKE-UHFFFAOYSA-N -1 3 381.364 0.769 20 30 GCEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@H]1CCNC1=O ZINC000806003262 1205548665 /nfs/dbraw/zinc/54/86/65/1205548665.db2.gz XOQYNXNWGGHLBE-OLZOCXBDSA-N -1 3 379.438 0.572 20 30 GCEDHM C[C@H](CC(=O)N(C)Cc1nncn1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000807844273 1205591283 /nfs/dbraw/zinc/59/12/83/1205591283.db2.gz XTRGIYCNZULTLF-LLVKDONJSA-N -1 3 376.442 0.291 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCN(C(N)=O)C2)ccc1F ZINC000808122307 1205599777 /nfs/dbraw/zinc/59/97/77/1205599777.db2.gz PXTJNANDEVUOPD-NSHDSACASA-N -1 3 384.433 0.420 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2nc(C(N)=O)cs2)ccc1F ZINC001131367811 1205608549 /nfs/dbraw/zinc/60/85/49/1205608549.db2.gz XBDRNTIGHZEMLQ-UHFFFAOYSA-N -1 3 398.441 0.775 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2nc3cnccn3n2)ccc1F ZINC001132309259 1205639554 /nfs/dbraw/zinc/63/95/54/1205639554.db2.gz NKTFLWFDKNRXQI-UHFFFAOYSA-N -1 3 376.373 0.980 20 30 GCEDHM O=C(CN=C1[N-]S(=O)(=O)c2ccccc21)NC[C@@H]1CC(=O)c2ccccc2O1 ZINC001132361883 1205640593 /nfs/dbraw/zinc/64/05/93/1205640593.db2.gz RMDGOKRNQZMADL-LBPRGKRZSA-N -1 3 399.428 0.875 20 30 GCEDHM CC(C)N(CCCNC(=O)COC(=O)c1cc([O-])cc(C#N)c1)S(C)(=O)=O ZINC000811187753 1205648833 /nfs/dbraw/zinc/64/88/33/1205648833.db2.gz WWQLBWQZPMZBHK-UHFFFAOYSA-N -1 3 397.453 0.597 20 30 GCEDHM CCOC(=O)CON=C(C(=O)Nc1cc(C(=O)OCC)n[n-]1)c1cc[nH]n1 ZINC001177254441 1205764927 /nfs/dbraw/zinc/76/49/27/1205764927.db2.gz OFZXKEKUDWOJKQ-BKUYFWCQSA-N -1 3 378.345 0.232 20 30 GCEDHM CCOC(=O)CO/N=C(\C(=O)Nc1cc(C(=O)OCC)[n-]n1)c1cc[nH]n1 ZINC001177254441 1205764928 /nfs/dbraw/zinc/76/49/28/1205764928.db2.gz OFZXKEKUDWOJKQ-BKUYFWCQSA-N -1 3 378.345 0.232 20 30 GCEDHM C[C@H](CC(=O)NC[C@@H](O)c1c[nH]cn1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001177837317 1205777652 /nfs/dbraw/zinc/77/76/52/1205777652.db2.gz JZQVRKIKGCJFCM-ZWNOBZJWSA-N -1 3 377.426 0.077 20 30 GCEDHM N#CC(Cc1cccs1)C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-] ZINC001177917856 1205779497 /nfs/dbraw/zinc/77/94/97/1205779497.db2.gz MQHLGGUCGOZPPE-CMPLNLGQSA-N -1 3 393.427 0.973 20 30 GCEDHM Cc1cc(=O)[n-]c(N2CCN(C(=O)CCNC(=O)C3N=CC=CC3=O)CC2)n1 ZINC001178039299 1205781681 /nfs/dbraw/zinc/78/16/81/1205781681.db2.gz OEDHKZYDXKAYDJ-MSUUIHNZSA-N -1 3 386.412 0.056 20 30 GCEDHM C[C@H](CC(=O)N[C@H]1CC[C@@H](O)[C@@H](O)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001178282151 1205784852 /nfs/dbraw/zinc/78/48/52/1205784852.db2.gz XRBJORORSJWZLA-RJZRQDKASA-N -1 3 395.481 0.284 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCC[C@H](c2ncon2)C1 ZINC001178364444 1205786433 /nfs/dbraw/zinc/78/64/33/1205786433.db2.gz WCSHIDPDMHBMTR-NSHDSACASA-N -1 3 375.410 0.514 20 30 GCEDHM C[C@H](CC(=O)N[C@@H](CO)C(F)(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001179905229 1205816003 /nfs/dbraw/zinc/81/60/03/1205816003.db2.gz VNULIKMBQXYFNR-KCJUWKMLSA-N -1 3 379.360 0.543 20 30 GCEDHM CCOC(=O)c1cc(C#N)c(NC(=O)C2CN(S(C)(=O)=O)C2)c(C)c1[O-] ZINC001183023054 1205886085 /nfs/dbraw/zinc/88/60/85/1205886085.db2.gz NTMJOAQVLZVRRY-UHFFFAOYSA-N -1 3 381.410 0.579 20 30 GCEDHM C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cc(F)c(=O)[n-]c1=O ZINC001183662371 1205898411 /nfs/dbraw/zinc/89/84/11/1205898411.db2.gz MURHBIZTSCHRBR-AWEZNQCLSA-N -1 3 375.356 0.545 20 30 GCEDHM CO[C@]1(C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)CCS(=O)(=O)C1 ZINC001184284047 1205907970 /nfs/dbraw/zinc/90/79/70/1205907970.db2.gz XGHLUGUUCOMYCO-QGZVFWFLSA-N -1 3 396.421 0.094 20 30 GCEDHM C=CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cnc(Cl)nc1)C(=O)OCC=C ZINC001185075314 1205916819 /nfs/dbraw/zinc/91/68/19/1205916819.db2.gz KHLOHZRIFUPVRJ-NSHDSACASA-N -1 3 389.817 0.625 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1nnc2c(cnn2C)c1=O ZINC000819745577 945279214 /nfs/dbraw/zinc/27/92/14/945279214.db2.gz KSTKZDSIKSELKM-UHFFFAOYSA-N -1 3 378.400 0.351 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1nnc2c(cnn2C)c1=O ZINC000819745577 945279223 /nfs/dbraw/zinc/27/92/23/945279223.db2.gz KSTKZDSIKSELKM-UHFFFAOYSA-N -1 3 378.400 0.351 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)[C@@H](C)CC#N ZINC000820438745 945448767 /nfs/dbraw/zinc/44/87/67/945448767.db2.gz WACKCQRSSZINFB-WDEREUQCSA-N -1 3 377.430 0.294 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@@H](C)CC#N ZINC000820438745 945448774 /nfs/dbraw/zinc/44/87/74/945448774.db2.gz WACKCQRSSZINFB-WDEREUQCSA-N -1 3 377.430 0.294 20 30 GCEDHM COC(=O)C1=C(C(=O)C2CC2)[C@@H](c2cc(-c3nnn[n-]3)cs2)NC(=S)N1 ZINC000821654207 945778627 /nfs/dbraw/zinc/77/86/27/945778627.db2.gz XDRXKNIWSZTYJI-SNVBAGLBSA-N -1 3 390.450 0.853 20 30 GCEDHM COC(=O)C1=C(C(=O)C2CC2)[C@@H](c2cc(-c3nn[n-]n3)cs2)NC(=S)N1 ZINC000821654207 945778632 /nfs/dbraw/zinc/77/86/32/945778632.db2.gz XDRXKNIWSZTYJI-SNVBAGLBSA-N -1 3 390.450 0.853 20 30 GCEDHM COC(=O)C1(C#N)CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001571295638 946169847 /nfs/dbraw/zinc/16/98/47/946169847.db2.gz AFQXUQGRAKSTHX-UHFFFAOYSA-N -1 3 390.425 0.475 20 30 GCEDHM COC(=O)C1(C#N)CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001571295638 946169854 /nfs/dbraw/zinc/16/98/54/946169854.db2.gz AFQXUQGRAKSTHX-UHFFFAOYSA-N -1 3 390.425 0.475 20 30 GCEDHM N#C[C@@H](OC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)C1CC1 ZINC000822801896 946189885 /nfs/dbraw/zinc/18/98/85/946189885.db2.gz QJRZRPIHTFUGLI-ZIAGYGMSSA-N -1 3 395.379 0.917 20 30 GCEDHM N#C[C@@H](OC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1CC1 ZINC000822801896 946189887 /nfs/dbraw/zinc/18/98/87/946189887.db2.gz QJRZRPIHTFUGLI-ZIAGYGMSSA-N -1 3 395.379 0.917 20 30 GCEDHM N#Cc1nccnc1N1CCC2(C[C@H]2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571296360 946191486 /nfs/dbraw/zinc/19/14/86/946191486.db2.gz VRTJOAWBZZGPFZ-CQSZACIVSA-N -1 3 390.411 0.645 20 30 GCEDHM N#Cc1nccnc1N1CCC2(C[C@H]2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571296360 946191492 /nfs/dbraw/zinc/19/14/92/946191492.db2.gz VRTJOAWBZZGPFZ-CQSZACIVSA-N -1 3 390.411 0.645 20 30 GCEDHM N#Cc1cc(C(=O)NC[C@H]2COCCN2Cc2ccccc2-c2nnn[n-]2)c[nH]1 ZINC001571309967 946460041 /nfs/dbraw/zinc/46/00/41/946460041.db2.gz QTUBBCZFRNRUDI-INIZCTEOSA-N -1 3 392.423 0.697 20 30 GCEDHM N#Cc1cc(C(=O)NC[C@H]2COCCN2Cc2ccccc2-c2nn[n-]n2)c[nH]1 ZINC001571309967 946460049 /nfs/dbraw/zinc/46/00/49/946460049.db2.gz QTUBBCZFRNRUDI-INIZCTEOSA-N -1 3 392.423 0.697 20 30 GCEDHM Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H]2C)n1 ZINC001571312578 946496153 /nfs/dbraw/zinc/49/61/53/946496153.db2.gz HYKUNGASSXALGG-BXUZGUMPSA-N -1 3 392.427 0.952 20 30 GCEDHM Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)n1 ZINC001571312578 946496158 /nfs/dbraw/zinc/49/61/58/946496158.db2.gz HYKUNGASSXALGG-BXUZGUMPSA-N -1 3 392.427 0.952 20 30 GCEDHM N#C[C@]12CN(C(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)C[C@H]1CS(=O)(=O)C2 ZINC001571317764 946622303 /nfs/dbraw/zinc/62/23/03/946622303.db2.gz UTBQPAVVOYMSND-ZUZCIYMTSA-N -1 3 392.828 0.530 20 30 GCEDHM N#C[C@]12CN(C(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)C[C@H]1CS(=O)(=O)C2 ZINC001571317764 946622307 /nfs/dbraw/zinc/62/23/07/946622307.db2.gz UTBQPAVVOYMSND-ZUZCIYMTSA-N -1 3 392.828 0.530 20 30 GCEDHM C#CC1(O)CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC001573279550 946642928 /nfs/dbraw/zinc/64/29/28/946642928.db2.gz IVDDSHSDSHWWHJ-UHFFFAOYSA-N -1 3 378.396 0.235 20 30 GCEDHM C#CC1(O)CCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC1 ZINC001573279550 946642934 /nfs/dbraw/zinc/64/29/34/946642934.db2.gz IVDDSHSDSHWWHJ-UHFFFAOYSA-N -1 3 378.396 0.235 20 30 GCEDHM C#CCN(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[C@@]1(C)CN(C)C1=O ZINC001573284033 946735857 /nfs/dbraw/zinc/73/58/57/946735857.db2.gz ZJJAGPNKDDGYEX-LJQANCHMSA-N -1 3 391.439 0.673 20 30 GCEDHM C#CCN(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C[C@@]1(C)CN(C)C1=O ZINC001573284033 946735866 /nfs/dbraw/zinc/73/58/66/946735866.db2.gz ZJJAGPNKDDGYEX-LJQANCHMSA-N -1 3 391.439 0.673 20 30 GCEDHM C#CCN(C(=O)Cc1cnc[nH]1)C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573284044 946736184 /nfs/dbraw/zinc/73/61/84/946736184.db2.gz ZQFCEFDKIBVMIJ-UHFFFAOYSA-N -1 3 391.439 0.658 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573285137 946768131 /nfs/dbraw/zinc/76/81/31/946768131.db2.gz DOLIEIMDHJSUIF-DZKIICNBSA-N -1 3 380.456 0.666 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573285137 946768140 /nfs/dbraw/zinc/76/81/40/946768140.db2.gz DOLIEIMDHJSUIF-DZKIICNBSA-N -1 3 380.456 0.666 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573285200 946770652 /nfs/dbraw/zinc/77/06/52/946770652.db2.gz DYKLPYSSDGMDJR-HUUCEWRRSA-N -1 3 383.456 0.975 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573285200 946770656 /nfs/dbraw/zinc/77/06/56/946770656.db2.gz DYKLPYSSDGMDJR-HUUCEWRRSA-N -1 3 383.456 0.975 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C[C@H]2C1 ZINC001573285642 946786030 /nfs/dbraw/zinc/78/60/30/946786030.db2.gz KBSWKAWGTNVWAJ-XHSDSOJGSA-N -1 3 395.467 0.893 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C[C@H]2C1 ZINC001573285642 946786036 /nfs/dbraw/zinc/78/60/36/946786036.db2.gz KBSWKAWGTNVWAJ-XHSDSOJGSA-N -1 3 395.467 0.893 20 30 GCEDHM C#CCO[C@H](C)C(=O)N[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)C ZINC001573285708 946786111 /nfs/dbraw/zinc/78/61/11/946786111.db2.gz LNIIFMIMGOXOHD-OCCSQVGLSA-N -1 3 387.444 0.494 20 30 GCEDHM C#CCO[C@H](C)C(=O)N[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)C ZINC001573285708 946786115 /nfs/dbraw/zinc/78/61/15/946786115.db2.gz LNIIFMIMGOXOHD-OCCSQVGLSA-N -1 3 387.444 0.494 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](C)C1 ZINC001573286377 946804836 /nfs/dbraw/zinc/80/48/36/946804836.db2.gz ABNIENCDYLMNOK-GXTWGEPZSA-N -1 3 385.428 0.202 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](C)C1 ZINC001573286377 946804848 /nfs/dbraw/zinc/80/48/48/946804848.db2.gz ABNIENCDYLMNOK-GXTWGEPZSA-N -1 3 385.428 0.202 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCC1 ZINC001573286532 946812752 /nfs/dbraw/zinc/81/27/52/946812752.db2.gz DBJFFNBCUVACEW-LBPRGKRZSA-N -1 3 385.428 0.392 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCC1 ZINC001573286532 946812759 /nfs/dbraw/zinc/81/27/59/946812759.db2.gz DBJFFNBCUVACEW-LBPRGKRZSA-N -1 3 385.428 0.392 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NC[C@@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573287194 946828349 /nfs/dbraw/zinc/82/83/49/946828349.db2.gz MHQNCTBUMZSJIX-KPZWWZAWSA-N -1 3 385.428 0.202 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NC[C@@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573287194 946828359 /nfs/dbraw/zinc/82/83/59/946828359.db2.gz MHQNCTBUMZSJIX-KPZWWZAWSA-N -1 3 385.428 0.202 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NC[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573287387 946836189 /nfs/dbraw/zinc/83/61/89/946836189.db2.gz NGJMZKUAKMBNOJ-NWDGAFQWSA-N -1 3 389.847 0.896 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NC[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573287387 946836204 /nfs/dbraw/zinc/83/62/04/946836204.db2.gz NGJMZKUAKMBNOJ-NWDGAFQWSA-N -1 3 389.847 0.896 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H](C)CCCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001573287796 946846015 /nfs/dbraw/zinc/84/60/15/946846015.db2.gz KZLFBMQHTTZWFO-LBPRGKRZSA-N -1 3 392.423 0.900 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H](C)CCCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001573287796 946846032 /nfs/dbraw/zinc/84/60/32/946846032.db2.gz KZLFBMQHTTZWFO-LBPRGKRZSA-N -1 3 392.423 0.900 20 30 GCEDHM C#CCOCCC(=O)N[C@H]1CC[C@H](C)N(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573288036 946855128 /nfs/dbraw/zinc/85/51/28/946855128.db2.gz RQSRXIXMZUXZEA-JSGCOSHPSA-N -1 3 387.419 0.914 20 30 GCEDHM C#CCOCCC(=O)N[C@H]1CC[C@H](C)N(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573288036 946855137 /nfs/dbraw/zinc/85/51/37/946855137.db2.gz RQSRXIXMZUXZEA-JSGCOSHPSA-N -1 3 387.419 0.914 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NCC1=CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573288041 946855253 /nfs/dbraw/zinc/85/52/53/946855253.db2.gz RVVZAIITZUQVNS-AWEZNQCLSA-N -1 3 381.440 0.861 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NCC1=CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573288041 946855261 /nfs/dbraw/zinc/85/52/61/946855261.db2.gz RVVZAIITZUQVNS-AWEZNQCLSA-N -1 3 381.440 0.861 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@](C)(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001573288072 946856117 /nfs/dbraw/zinc/85/61/17/946856117.db2.gz HYOLXBOQWGQIEM-IBGZPJMESA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@](C)(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001573288072 946856125 /nfs/dbraw/zinc/85/61/25/946856125.db2.gz HYOLXBOQWGQIEM-IBGZPJMESA-N -1 3 390.407 0.606 20 30 GCEDHM C#CCOCCC(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573288942 946880877 /nfs/dbraw/zinc/88/08/77/946880877.db2.gz ZHDAPPRLKXAUQX-UHFFFAOYSA-N -1 3 385.428 0.067 20 30 GCEDHM C#CCOCCC(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573288942 946880898 /nfs/dbraw/zinc/88/08/98/946880898.db2.gz ZHDAPPRLKXAUQX-UHFFFAOYSA-N -1 3 385.428 0.067 20 30 GCEDHM C#CCOCCC(=O)NCC(C)(C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573289062 946882681 /nfs/dbraw/zinc/88/26/81/946882681.db2.gz ZYUMQICHGYKYHI-UHFFFAOYSA-N -1 3 387.444 0.449 20 30 GCEDHM C#CCOCCC(=O)NCC(C)(C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573289062 946882690 /nfs/dbraw/zinc/88/26/90/946882690.db2.gz ZYUMQICHGYKYHI-UHFFFAOYSA-N -1 3 387.444 0.449 20 30 GCEDHM C#Cc1cncc(C(=O)N(C)[C@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001573289744 946893254 /nfs/dbraw/zinc/89/32/54/946893254.db2.gz CGXNEGFUQVTBTM-LLVKDONJSA-N -1 3 378.396 0.462 20 30 GCEDHM C#Cc1cncc(C(=O)N(C)[C@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001573289744 946893265 /nfs/dbraw/zinc/89/32/65/946893265.db2.gz CGXNEGFUQVTBTM-LLVKDONJSA-N -1 3 378.396 0.462 20 30 GCEDHM C#CCOCCC(=O)NCCN(c1snc(C)c1-c1nnn[n-]1)C1CC1 ZINC001573289923 946895185 /nfs/dbraw/zinc/89/51/85/946895185.db2.gz RMYVIWNDYIVVSR-UHFFFAOYSA-N -1 3 375.458 0.757 20 30 GCEDHM C#Cc1ccc(S(=O)(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cc1 ZINC001573290510 946905234 /nfs/dbraw/zinc/90/52/34/946905234.db2.gz KZGFMNNFHLGDGX-UHFFFAOYSA-N -1 3 395.448 0.754 20 30 GCEDHM C#Cc1ccc(S(=O)(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cc1 ZINC001573290510 946905244 /nfs/dbraw/zinc/90/52/44/946905244.db2.gz KZGFMNNFHLGDGX-UHFFFAOYSA-N -1 3 395.448 0.754 20 30 GCEDHM C#Cc1cncc(C(=O)N(C)C[C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001573290766 946909529 /nfs/dbraw/zinc/90/95/29/946909529.db2.gz OYQLNYBSBLCVPX-LLVKDONJSA-N -1 3 378.396 0.462 20 30 GCEDHM C#Cc1cncc(C(=O)N(C)C[C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001573290766 946909534 /nfs/dbraw/zinc/90/95/34/946909534.db2.gz OYQLNYBSBLCVPX-LLVKDONJSA-N -1 3 378.396 0.462 20 30 GCEDHM C#Cc1cccc(CNC(=O)CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC001573290796 946910477 /nfs/dbraw/zinc/91/04/77/946910477.db2.gz PSGFPAUFAFIEAH-UHFFFAOYSA-N -1 3 396.432 0.443 20 30 GCEDHM C#Cc1cccc(CNC(=O)CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001573290796 946910485 /nfs/dbraw/zinc/91/04/85/946910485.db2.gz PSGFPAUFAFIEAH-UHFFFAOYSA-N -1 3 396.432 0.443 20 30 GCEDHM C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)c1 ZINC001573291348 946917252 /nfs/dbraw/zinc/91/72/52/946917252.db2.gz BCZBSCFPBQQJGU-XHDPSFHLSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)c1 ZINC001573291348 946917262 /nfs/dbraw/zinc/91/72/62/946917262.db2.gz BCZBSCFPBQQJGU-XHDPSFHLSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]32)c1 ZINC001573291956 946925911 /nfs/dbraw/zinc/92/59/11/946925911.db2.gz LXGXOOFTRQPAAX-OSYLJGHBSA-N -1 3 386.419 0.750 20 30 GCEDHM C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]32)c1 ZINC001573291956 946925917 /nfs/dbraw/zinc/92/59/17/946925917.db2.gz LXGXOOFTRQPAAX-OSYLJGHBSA-N -1 3 386.419 0.750 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573294330 946986260 /nfs/dbraw/zinc/98/62/60/946986260.db2.gz CAVQUHBLPHLVFP-IPYPFGDCSA-N -1 3 385.428 0.507 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573294330 946986269 /nfs/dbraw/zinc/98/62/69/946986269.db2.gz CAVQUHBLPHLVFP-IPYPFGDCSA-N -1 3 385.428 0.507 20 30 GCEDHM C=C(Cl)CN(CCO)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573294599 946992409 /nfs/dbraw/zinc/99/24/09/946992409.db2.gz DLLBTORWIJKWQB-ZDUSSCGKSA-N -1 3 379.852 0.846 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC[C@@]2(CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573566381 947024823 /nfs/dbraw/zinc/02/48/23/947024823.db2.gz CBOIXASVSMMDPK-KPZWWZAWSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CC2 ZINC001573566717 947029492 /nfs/dbraw/zinc/02/94/92/947029492.db2.gz FYVPKAFGVUFRHO-LBPRGKRZSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CC2 ZINC001573566717 947029506 /nfs/dbraw/zinc/02/95/06/947029506.db2.gz FYVPKAFGVUFRHO-LBPRGKRZSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CC2 ZINC001573567209 947038223 /nfs/dbraw/zinc/03/82/23/947038223.db2.gz KDYRORPDHRYYAI-LBPRGKRZSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC[C@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001573567901 947060017 /nfs/dbraw/zinc/06/00/17/947060017.db2.gz UPAVLHRIDLTKLB-XIKOKIGWSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC[C@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001573567901 947060028 /nfs/dbraw/zinc/06/00/28/947060028.db2.gz UPAVLHRIDLTKLB-XIKOKIGWSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCOC2(CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001573569603 947072458 /nfs/dbraw/zinc/07/24/58/947072458.db2.gz CDZIFYOICRXLTN-LBPRGKRZSA-N -1 3 385.403 0.579 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCOC2(CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC001573569603 947072472 /nfs/dbraw/zinc/07/24/72/947072472.db2.gz CDZIFYOICRXLTN-LBPRGKRZSA-N -1 3 385.403 0.579 20 30 GCEDHM C=C(C)[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)OCC ZINC001573298284 947073847 /nfs/dbraw/zinc/07/38/47/947073847.db2.gz BVABYVSNSHQYQB-GUTXKFCHSA-N -1 3 387.444 0.943 20 30 GCEDHM C=C(C)[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)OCC ZINC001573298284 947073856 /nfs/dbraw/zinc/07/38/56/947073856.db2.gz BVABYVSNSHQYQB-GUTXKFCHSA-N -1 3 387.444 0.943 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001573570319 947087017 /nfs/dbraw/zinc/08/70/17/947087017.db2.gz MRBJVRQTSSHPFU-HIFRSBDPSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573570879 947096512 /nfs/dbraw/zinc/09/65/12/947096512.db2.gz WDIGMPPFPBOTIR-HZUKXOBISA-N -1 3 392.427 0.561 20 30 GCEDHM C[C@@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573570879 947096526 /nfs/dbraw/zinc/09/65/26/947096526.db2.gz WDIGMPPFPBOTIR-HZUKXOBISA-N -1 3 392.427 0.561 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCO[C@H](CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573571058 947099093 /nfs/dbraw/zinc/09/90/93/947099093.db2.gz YDRSWGNBOPCTCK-GXSJLCMTSA-N -1 3 376.808 0.714 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCO[C@H](CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573571058 947099111 /nfs/dbraw/zinc/09/91/11/947099111.db2.gz YDRSWGNBOPCTCK-GXSJLCMTSA-N -1 3 376.808 0.714 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC001573299772 947102992 /nfs/dbraw/zinc/10/29/92/947102992.db2.gz LTKRKTPYAGROCJ-CSMYWGQOSA-N -1 3 398.471 0.674 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC001573299772 947102998 /nfs/dbraw/zinc/10/29/98/947102998.db2.gz LTKRKTPYAGROCJ-CSMYWGQOSA-N -1 3 398.471 0.674 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573300112 947105111 /nfs/dbraw/zinc/10/51/11/947105111.db2.gz OBKHDVSKNVWLFI-MRXNPFEDSA-N -1 3 386.460 0.627 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573300112 947105116 /nfs/dbraw/zinc/10/51/16/947105116.db2.gz OBKHDVSKNVWLFI-MRXNPFEDSA-N -1 3 386.460 0.627 20 30 GCEDHM C[C@H](C#N)C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573572310 947110288 /nfs/dbraw/zinc/11/02/88/947110288.db2.gz GUOGLAGBNAKFDB-NDNKKMJESA-N -1 3 382.428 0.996 20 30 GCEDHM C[C@H](C#N)C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573572310 947110296 /nfs/dbraw/zinc/11/02/96/947110296.db2.gz GUOGLAGBNAKFDB-NDNKKMJESA-N -1 3 382.428 0.996 20 30 GCEDHM C=C(C)C[C@@H](CO)NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573300770 947119005 /nfs/dbraw/zinc/11/90/05/947119005.db2.gz UMLRCVCGDUZAAG-HNNXBMFYSA-N -1 3 386.460 0.857 20 30 GCEDHM C=C(C)C[C@@H](CO)NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573300770 947119010 /nfs/dbraw/zinc/11/90/10/947119010.db2.gz UMLRCVCGDUZAAG-HNNXBMFYSA-N -1 3 386.460 0.857 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573573422 947122410 /nfs/dbraw/zinc/12/24/10/947122410.db2.gz NFZVKLZXFUZMPG-SGTLLEGYSA-N -1 3 387.419 0.609 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573573422 947122414 /nfs/dbraw/zinc/12/24/14/947122414.db2.gz NFZVKLZXFUZMPG-SGTLLEGYSA-N -1 3 387.419 0.609 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573300882 947124634 /nfs/dbraw/zinc/12/46/34/947124634.db2.gz WFRYFCXZOFLFGX-IUODEOHRSA-N -1 3 386.460 0.897 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573300882 947124644 /nfs/dbraw/zinc/12/46/44/947124644.db2.gz WFRYFCXZOFLFGX-IUODEOHRSA-N -1 3 386.460 0.897 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573574671 947131881 /nfs/dbraw/zinc/13/18/81/947131881.db2.gz STMPWOXRBIHSGO-KPZWWZAWSA-N -1 3 387.419 0.609 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573575792 947143261 /nfs/dbraw/zinc/14/32/61/947143261.db2.gz ZYIFOYRRDHKWFM-QLJPJBMISA-N -1 3 390.835 0.522 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573575792 947143268 /nfs/dbraw/zinc/14/32/68/947143268.db2.gz ZYIFOYRRDHKWFM-QLJPJBMISA-N -1 3 390.835 0.522 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2cc(-c3nn[n-]n3)ccc2F)CCO1 ZINC001573577486 947168783 /nfs/dbraw/zinc/16/87/83/947168783.db2.gz QHNWDOZVRAVOAZ-SGTLLEGYSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCC1(F)F ZINC001573581917 947184172 /nfs/dbraw/zinc/18/41/72/947184172.db2.gz AJNDQTHZJUPCBI-JQWIXIFHSA-N -1 3 376.371 0.999 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCC1(F)F ZINC001573581917 947184181 /nfs/dbraw/zinc/18/41/81/947184181.db2.gz AJNDQTHZJUPCBI-JQWIXIFHSA-N -1 3 376.371 0.999 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H]1CN(c2ncccc2-c2nnn[n-]2)CCC1(F)F ZINC001573582221 947189789 /nfs/dbraw/zinc/18/97/89/947189789.db2.gz CCZPJDZANZKKLT-QWRGUYRKSA-N -1 3 376.371 0.999 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H]1CN(c2ncccc2-c2nn[n-]n2)CCC1(F)F ZINC001573582221 947189792 /nfs/dbraw/zinc/18/97/92/947189792.db2.gz CCZPJDZANZKKLT-QWRGUYRKSA-N -1 3 376.371 0.999 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N(CC)CCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573309203 947193392 /nfs/dbraw/zinc/19/33/92/947193392.db2.gz DZOJORRRIMEIFJ-KRWDZBQOSA-N -1 3 375.433 0.490 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N(CC)CCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573309203 947193403 /nfs/dbraw/zinc/19/34/03/947193403.db2.gz DZOJORRRIMEIFJ-KRWDZBQOSA-N -1 3 375.433 0.490 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N(CCO)CCNc1snc(C)c1-c1nnn[n-]1 ZINC001573309419 947199146 /nfs/dbraw/zinc/19/91/46/947199146.db2.gz IQXALYPRWAJECW-HNNXBMFYSA-N -1 3 381.462 0.192 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1C[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2C1 ZINC001573309532 947203508 /nfs/dbraw/zinc/20/35/08/947203508.db2.gz KCGFMOSVDKRWCY-JCGVRSQUSA-N -1 3 387.419 0.623 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1C[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2C1 ZINC001573309532 947203518 /nfs/dbraw/zinc/20/35/18/947203518.db2.gz KCGFMOSVDKRWCY-JCGVRSQUSA-N -1 3 387.419 0.623 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573583324 947203658 /nfs/dbraw/zinc/20/36/58/947203658.db2.gz KWVWIEISPYEUSW-FVCCEPFGSA-N -1 3 382.428 0.854 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573583324 947203666 /nfs/dbraw/zinc/20/36/66/947203666.db2.gz KWVWIEISPYEUSW-FVCCEPFGSA-N -1 3 382.428 0.854 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1(F)F ZINC001573583840 947211714 /nfs/dbraw/zinc/21/17/14/947211714.db2.gz PQBSVAAEOKMPRP-KOLCDFICSA-N -1 3 392.370 0.568 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1(F)F ZINC001573583840 947211729 /nfs/dbraw/zinc/21/17/29/947211729.db2.gz PQBSVAAEOKMPRP-KOLCDFICSA-N -1 3 392.370 0.568 20 30 GCEDHM CCOC(=O)CN(C(=O)Cn1cnc(C#N)c1-c1nnn[n-]1)c1ccccc1 ZINC000825512144 947212365 /nfs/dbraw/zinc/21/23/65/947212365.db2.gz VQCVLRHUZQHISG-UHFFFAOYSA-N -1 3 380.368 0.531 20 30 GCEDHM C=C[C@](C)(CCOC)C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573310040 947215182 /nfs/dbraw/zinc/21/51/82/947215182.db2.gz RNGMVCQWFZEGES-PIGZYNQJSA-N -1 3 375.433 0.658 20 30 GCEDHM C=C[C@](C)(CCOC)C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573310040 947215191 /nfs/dbraw/zinc/21/51/91/947215191.db2.gz RNGMVCQWFZEGES-PIGZYNQJSA-N -1 3 375.433 0.658 20 30 GCEDHM C[C@H](C#N)C(=O)NCCN1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573584251 947217284 /nfs/dbraw/zinc/21/72/84/947217284.db2.gz RXLZHHIIGGCWBP-CYBMUJFWSA-N -1 3 386.435 0.399 20 30 GCEDHM C[C@H](C#N)C(=O)NCCN1CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573584251 947217294 /nfs/dbraw/zinc/21/72/94/947217294.db2.gz RXLZHHIIGGCWBP-CYBMUJFWSA-N -1 3 386.435 0.399 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCC1 ZINC001573310214 947219114 /nfs/dbraw/zinc/21/91/14/947219114.db2.gz UXQSQBSHDZVKJK-QGZVFWFLSA-N -1 3 387.444 0.681 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCC1 ZINC001573310214 947219124 /nfs/dbraw/zinc/21/91/24/947219124.db2.gz UXQSQBSHDZVKJK-QGZVFWFLSA-N -1 3 387.444 0.681 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CC2 ZINC001573584783 947235607 /nfs/dbraw/zinc/23/56/07/947235607.db2.gz DYIZVYZMHSSJMA-UCMVZMLTSA-N -1 3 382.428 0.855 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CC2 ZINC001573584783 947235618 /nfs/dbraw/zinc/23/56/18/947235618.db2.gz DYIZVYZMHSSJMA-UCMVZMLTSA-N -1 3 382.428 0.855 20 30 GCEDHM C=CCC(CC=C)C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001573325886 947364274 /nfs/dbraw/zinc/36/42/74/947364274.db2.gz HTYOOHUIIKAERB-HUUCEWRRSA-N -1 3 385.428 0.265 20 30 GCEDHM C=CCC(CC=C)C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001573325886 947364298 /nfs/dbraw/zinc/36/42/98/947364298.db2.gz HTYOOHUIIKAERB-HUUCEWRRSA-N -1 3 385.428 0.265 20 30 GCEDHM C=CCCC(=O)N1CC[C@@H](N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001573329028 947415492 /nfs/dbraw/zinc/41/54/92/947415492.db2.gz GOCWMFHUSMFRHM-MRXNPFEDSA-N -1 3 382.472 0.951 20 30 GCEDHM C=CCCC(=O)N1CC[C@@H](N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001573329028 947415498 /nfs/dbraw/zinc/41/54/98/947415498.db2.gz GOCWMFHUSMFRHM-MRXNPFEDSA-N -1 3 382.472 0.951 20 30 GCEDHM C=CCCC(=O)N1CC2(C1)CC[C@H](CNC(=O)c1cc(-c3nnn[n-]3)c[nH]1)O2 ZINC001573329006 947415513 /nfs/dbraw/zinc/41/55/13/947415513.db2.gz GFNBSTSERXOISB-CYBMUJFWSA-N -1 3 385.428 0.651 20 30 GCEDHM C=CCCC(=O)N1CC2(C1)CC[C@H](CNC(=O)c1cc(-c3nn[n-]n3)c[nH]1)O2 ZINC001573329006 947415521 /nfs/dbraw/zinc/41/55/21/947415521.db2.gz GFNBSTSERXOISB-CYBMUJFWSA-N -1 3 385.428 0.651 20 30 GCEDHM C=CCCCC(=O)N1CCC(CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573335407 947477420 /nfs/dbraw/zinc/47/74/20/947477420.db2.gz YQKLBVJOLIIUHW-UHFFFAOYSA-N -1 3 387.444 0.634 20 30 GCEDHM C=CCCCC(=O)N1CCC(CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573335407 947477433 /nfs/dbraw/zinc/47/74/33/947477433.db2.gz YQKLBVJOLIIUHW-UHFFFAOYSA-N -1 3 387.444 0.634 20 30 GCEDHM C=CCCOCC(=O)NC[C@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573335612 947481846 /nfs/dbraw/zinc/48/18/46/947481846.db2.gz BGXJVCULISPGTJ-STQMWFEESA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCCOCC(=O)NC[C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573335612 947481851 /nfs/dbraw/zinc/48/18/51/947481851.db2.gz BGXJVCULISPGTJ-STQMWFEESA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCCOCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573335611 947482767 /nfs/dbraw/zinc/48/27/67/947482767.db2.gz BGXJVCULISPGTJ-QWHCGFSZSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCCOCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573335611 947482775 /nfs/dbraw/zinc/48/27/75/947482775.db2.gz BGXJVCULISPGTJ-QWHCGFSZSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1O ZINC001573335995 947494991 /nfs/dbraw/zinc/49/49/91/947494991.db2.gz GZOISDGXHVXCCD-BPLDGKMQSA-N -1 3 387.444 0.217 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1O ZINC001573335995 947494998 /nfs/dbraw/zinc/49/49/98/947494998.db2.gz GZOISDGXHVXCCD-BPLDGKMQSA-N -1 3 387.444 0.217 20 30 GCEDHM C=CCCO[C@H](C)C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001573336075 947497492 /nfs/dbraw/zinc/49/74/92/947497492.db2.gz HOGRSWSTNFYTAQ-UKRRQHHQSA-N -1 3 387.444 0.564 20 30 GCEDHM C=CCCO[C@H](C)C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001573336075 947497499 /nfs/dbraw/zinc/49/74/99/947497499.db2.gz HOGRSWSTNFYTAQ-UKRRQHHQSA-N -1 3 387.444 0.564 20 30 GCEDHM C=CCCOCC(=O)N1CCC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573336530 947506932 /nfs/dbraw/zinc/50/69/32/947506932.db2.gz OOCJVQMDBQZWDC-ZDUSSCGKSA-N -1 3 387.444 0.756 20 30 GCEDHM C=CCCOCC(=O)N1CCC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573336530 947506941 /nfs/dbraw/zinc/50/69/41/947506941.db2.gz OOCJVQMDBQZWDC-ZDUSSCGKSA-N -1 3 387.444 0.756 20 30 GCEDHM C=CCCOCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573336599 947507766 /nfs/dbraw/zinc/50/77/66/947507766.db2.gz PNZFGOCGKFRPLM-TZMCWYRMSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CCCOCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573336599 947507774 /nfs/dbraw/zinc/50/77/74/947507774.db2.gz PNZFGOCGKFRPLM-TZMCWYRMSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573336980 947510894 /nfs/dbraw/zinc/51/08/94/947510894.db2.gz SHXYQXVGLVEFRO-GFCCVEGCSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573336980 947510901 /nfs/dbraw/zinc/51/09/01/947510901.db2.gz SHXYQXVGLVEFRO-GFCCVEGCSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCOCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573337097 947513360 /nfs/dbraw/zinc/51/33/60/947513360.db2.gz UIPFSKHJCKEDQE-GXTWGEPZSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCCOCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573337097 947513368 /nfs/dbraw/zinc/51/33/68/947513368.db2.gz UIPFSKHJCKEDQE-GXTWGEPZSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCN1CC[C@H](N2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1=O ZINC001573341297 947530000 /nfs/dbraw/zinc/53/00/00/947530000.db2.gz JTTPKKYKHAEUIE-DOMZBBRYSA-N -1 3 384.444 0.176 20 30 GCEDHM C=CCN1CC[C@H](N2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001573341297 947530010 /nfs/dbraw/zinc/53/00/10/947530010.db2.gz JTTPKKYKHAEUIE-DOMZBBRYSA-N -1 3 384.444 0.176 20 30 GCEDHM C=CCCn1cc(C(=O)NCC2(Nc3ncccc3-c3nnn[n-]3)CC2)nn1 ZINC001573341743 947535981 /nfs/dbraw/zinc/53/59/81/947535981.db2.gz PWSIKLMFMXOGCK-UHFFFAOYSA-N -1 3 380.416 0.804 20 30 GCEDHM C=CCCn1cc(C(=O)NCC2(Nc3ncccc3-c3nn[n-]n3)CC2)nn1 ZINC001573341743 947535990 /nfs/dbraw/zinc/53/59/90/947535990.db2.gz PWSIKLMFMXOGCK-UHFFFAOYSA-N -1 3 380.416 0.804 20 30 GCEDHM C=CCOCC(=O)NC[C@@]1(C)CN(c2ncc(-c3nnn[n-]3)cc2F)CCO1 ZINC001573342798 947546300 /nfs/dbraw/zinc/54/63/00/947546300.db2.gz DVKRFCKGNFYBME-KRWDZBQOSA-N -1 3 391.407 0.315 20 30 GCEDHM C=CCOCC(=O)NC[C@@]1(C)CN(c2ncc(-c3nn[n-]n3)cc2F)CCO1 ZINC001573342798 947546306 /nfs/dbraw/zinc/54/63/06/947546306.db2.gz DVKRFCKGNFYBME-KRWDZBQOSA-N -1 3 391.407 0.315 20 30 GCEDHM C=CCOCC(=O)N1CC[C@@H](N(CCC)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573343023 947549308 /nfs/dbraw/zinc/54/93/08/947549308.db2.gz IKEOBZRQNTUIGG-CYBMUJFWSA-N -1 3 387.444 0.851 20 30 GCEDHM C=CCOCC(=O)N1CC[C@@H](N(CCC)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573343023 947549312 /nfs/dbraw/zinc/54/93/12/947549312.db2.gz IKEOBZRQNTUIGG-CYBMUJFWSA-N -1 3 387.444 0.851 20 30 GCEDHM C=CCOC[C@@H](NS(=O)(=O)c1ccc(C)cc1-c1nnn[n-]1)C(=O)OC ZINC001573343356 947556619 /nfs/dbraw/zinc/55/66/19/947556619.db2.gz NKZSICYXMIPECE-GFCCVEGCSA-N -1 3 381.414 0.198 20 30 GCEDHM C=CCOC[C@@H](NS(=O)(=O)c1ccc(C)cc1-c1nn[n-]n1)C(=O)OC ZINC001573343356 947556634 /nfs/dbraw/zinc/55/66/34/947556634.db2.gz NKZSICYXMIPECE-GFCCVEGCSA-N -1 3 381.414 0.198 20 30 GCEDHM C=CCOCC(=O)N[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573343561 947560601 /nfs/dbraw/zinc/56/06/01/947560601.db2.gz QEYXMNDWASRSST-ZDUSSCGKSA-N -1 3 375.433 0.658 20 30 GCEDHM C=CCOCC(=O)N[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573343561 947560607 /nfs/dbraw/zinc/56/06/07/947560607.db2.gz QEYXMNDWASRSST-ZDUSSCGKSA-N -1 3 375.433 0.658 20 30 GCEDHM C=CCOCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001573343758 947562688 /nfs/dbraw/zinc/56/26/88/947562688.db2.gz SAUGSAODGIPELI-YUTCNCBUSA-N -1 3 385.428 0.507 20 30 GCEDHM C=CCOCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573343758 947562692 /nfs/dbraw/zinc/56/26/92/947562692.db2.gz SAUGSAODGIPELI-YUTCNCBUSA-N -1 3 385.428 0.507 20 30 GCEDHM C=CCOCC(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCCC1 ZINC001573344207 947569515 /nfs/dbraw/zinc/56/95/15/947569515.db2.gz ZGEBGBFQRJBNNG-UHFFFAOYSA-N -1 3 387.444 0.946 20 30 GCEDHM C=CCOCC(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCCC1 ZINC001573344207 947569524 /nfs/dbraw/zinc/56/95/24/947569524.db2.gz ZGEBGBFQRJBNNG-UHFFFAOYSA-N -1 3 387.444 0.946 20 30 GCEDHM C=CCOCC(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573344171 947569548 /nfs/dbraw/zinc/56/95/48/947569548.db2.gz XTDGRQQSULZYJV-SWLSCSKDSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCOCC(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573344171 947569555 /nfs/dbraw/zinc/56/95/55/947569555.db2.gz XTDGRQQSULZYJV-SWLSCSKDSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCn1cc(C(=O)N(C)[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)nn1 ZINC001573348462 947585169 /nfs/dbraw/zinc/58/51/69/947585169.db2.gz QWPJXQKWKDQEQH-LBPRGKRZSA-N -1 3 380.416 0.390 20 30 GCEDHM C=CCn1cc(C(=O)N(C)[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)nn1 ZINC001573348462 947585180 /nfs/dbraw/zinc/58/51/80/947585180.db2.gz QWPJXQKWKDQEQH-LBPRGKRZSA-N -1 3 380.416 0.390 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573350339 947594465 /nfs/dbraw/zinc/59/44/65/947594465.db2.gz DBPYRKGKGDDKBB-ZOWXZIJZSA-N -1 3 385.428 0.507 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573350339 947594469 /nfs/dbraw/zinc/59/44/69/947594469.db2.gz DBPYRKGKGDDKBB-ZOWXZIJZSA-N -1 3 385.428 0.507 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001573351297 947612061 /nfs/dbraw/zinc/61/20/61/947612061.db2.gz PPGBILQXIFDEBE-FAHYXWLWSA-N -1 3 397.439 0.220 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001573351297 947612063 /nfs/dbraw/zinc/61/20/63/947612063.db2.gz PPGBILQXIFDEBE-FAHYXWLWSA-N -1 3 397.439 0.220 20 30 GCEDHM C=CCn1cccc1C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573351562 947617066 /nfs/dbraw/zinc/61/70/66/947617066.db2.gz SDDVKJOFVDDBOJ-UHFFFAOYSA-N -1 3 380.412 0.684 20 30 GCEDHM C=CCn1cccc1C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573351562 947617072 /nfs/dbraw/zinc/61/70/72/947617072.db2.gz SDDVKJOFVDDBOJ-UHFFFAOYSA-N -1 3 380.412 0.684 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001573352100 947626297 /nfs/dbraw/zinc/62/62/97/947626297.db2.gz ZPAIEIPHMHSOID-BHTHQVBYSA-N -1 3 397.439 0.459 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001573352100 947626301 /nfs/dbraw/zinc/62/63/01/947626301.db2.gz ZPAIEIPHMHSOID-BHTHQVBYSA-N -1 3 397.439 0.459 20 30 GCEDHM C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cccc(-c3nn[n-]n3)c2)nn1 ZINC001573352077 947626468 /nfs/dbraw/zinc/62/64/68/947626468.db2.gz ZMKGYHMJONHALU-HOTGVXAUSA-N -1 3 391.439 0.743 20 30 GCEDHM CC#CCCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001573358540 947664268 /nfs/dbraw/zinc/66/42/68/947664268.db2.gz LOHJVTHPNOOPAC-WFASDCNBSA-N -1 3 385.428 0.080 20 30 GCEDHM CC#CCCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001573358540 947664275 /nfs/dbraw/zinc/66/42/75/947664275.db2.gz LOHJVTHPNOOPAC-WFASDCNBSA-N -1 3 385.428 0.080 20 30 GCEDHM CC#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573359218 947680309 /nfs/dbraw/zinc/68/03/09/947680309.db2.gz XKYYHSIBOODAEL-AWEZNQCLSA-N -1 3 385.428 0.346 20 30 GCEDHM CC#CCCCC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573359218 947680318 /nfs/dbraw/zinc/68/03/18/947680318.db2.gz XKYYHSIBOODAEL-AWEZNQCLSA-N -1 3 385.428 0.346 20 30 GCEDHM CC#CCCCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001573359347 947685916 /nfs/dbraw/zinc/68/59/16/947685916.db2.gz ZPKDSGOYEJOKQB-DZGCQCFKSA-N -1 3 385.428 0.080 20 30 GCEDHM CC#CCCCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001573359347 947685920 /nfs/dbraw/zinc/68/59/20/947685920.db2.gz ZPKDSGOYEJOKQB-DZGCQCFKSA-N -1 3 385.428 0.080 20 30 GCEDHM Cc1cccc(N2CCN(C(=O)Cn3cnc(C#N)c3-c3nnn[n-]3)CC2)c1 ZINC000826298922 947865653 /nfs/dbraw/zinc/86/56/53/947865653.db2.gz KYCFCNWUCRKOIY-UHFFFAOYSA-N -1 3 377.412 0.592 20 30 GCEDHM N#Cc1cc(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c[nH]1 ZINC000826383717 948184715 /nfs/dbraw/zinc/18/47/15/948184715.db2.gz NDKVHDAGWINIMU-IINYFYTJSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1cc(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c[nH]1 ZINC000826383717 948184718 /nfs/dbraw/zinc/18/47/18/948184718.db2.gz NDKVHDAGWINIMU-IINYFYTJSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1ncn(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)c1-c1nnn[n-]1 ZINC000826388235 948193458 /nfs/dbraw/zinc/19/34/58/948193458.db2.gz ODZAXUSJPFUROZ-UHFFFAOYSA-N -1 3 378.335 0.633 20 30 GCEDHM C[C@](CNC(=O)CSCC#N)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574938421 949241131 /nfs/dbraw/zinc/24/11/31/949241131.db2.gz VMMBQYSJHOXPBI-MRXNPFEDSA-N -1 3 388.457 0.466 20 30 GCEDHM C[C@](CNC(=O)CSCC#N)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574938421 949241157 /nfs/dbraw/zinc/24/11/57/949241157.db2.gz VMMBQYSJHOXPBI-MRXNPFEDSA-N -1 3 388.457 0.466 20 30 GCEDHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1CNc1ccnc(C#N)n1 ZINC001576168994 949658043 /nfs/dbraw/zinc/65/80/43/949658043.db2.gz DKNQPZOBGOKUCI-FZMZJTMJSA-N -1 3 392.427 0.631 20 30 GCEDHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1CNc1ccnc(C#N)n1 ZINC001576168994 949658055 /nfs/dbraw/zinc/65/80/55/949658055.db2.gz DKNQPZOBGOKUCI-FZMZJTMJSA-N -1 3 392.427 0.631 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1c1cnc(C#N)cn1 ZINC001575882528 949777971 /nfs/dbraw/zinc/77/79/71/949777971.db2.gz MKMHECFIFRUQDI-GWCFXTLKSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1c1cnc(C#N)cn1 ZINC001575882528 949777985 /nfs/dbraw/zinc/77/79/85/949777985.db2.gz MKMHECFIFRUQDI-GWCFXTLKSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1c1cncc(C#N)n1 ZINC001575883237 949808406 /nfs/dbraw/zinc/80/84/06/949808406.db2.gz DNWXQUYPGSAWLR-MFKMUULPSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1c1cncc(C#N)n1 ZINC001575883237 949808424 /nfs/dbraw/zinc/80/84/24/949808424.db2.gz DNWXQUYPGSAWLR-MFKMUULPSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1c1cnc(C#N)cn1 ZINC001575886422 949881507 /nfs/dbraw/zinc/88/15/07/949881507.db2.gz MHAWBWHKSOATKL-GWCFXTLKSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1c1cnc(C#N)cn1 ZINC001575886422 949881528 /nfs/dbraw/zinc/88/15/28/949881528.db2.gz MHAWBWHKSOATKL-GWCFXTLKSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575886961 949887964 /nfs/dbraw/zinc/88/79/64/949887964.db2.gz NFGRKFJJVGLVPI-RNCFNFMXSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575886961 949887984 /nfs/dbraw/zinc/88/79/84/949887984.db2.gz NFGRKFJJVGLVPI-RNCFNFMXSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575887663 949903783 /nfs/dbraw/zinc/90/37/83/949903783.db2.gz OFTUZHXMXGWJBI-MWLCHTKSSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575887663 949903800 /nfs/dbraw/zinc/90/38/00/949903800.db2.gz OFTUZHXMXGWJBI-MWLCHTKSSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1c1ccnc(C#N)n1 ZINC001575888964 949918617 /nfs/dbraw/zinc/91/86/17/949918617.db2.gz QTVXLWUNSRJLOB-CMPLNLGQSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1c1ccnc(C#N)n1 ZINC001575888964 949918642 /nfs/dbraw/zinc/91/86/42/949918642.db2.gz QTVXLWUNSRJLOB-CMPLNLGQSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575889486 949930175 /nfs/dbraw/zinc/93/01/75/949930175.db2.gz SDLUHNZSMOVKMY-SKDRFNHKSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575889486 949930198 /nfs/dbraw/zinc/93/01/98/949930198.db2.gz SDLUHNZSMOVKMY-SKDRFNHKSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H](C[C@H](C)NC(=O)c1ccc(C#N)[nH]1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574530759 950996399 /nfs/dbraw/zinc/99/63/99/950996399.db2.gz WRZFFNHFQIPNEE-UWVGGRQHSA-N -1 3 381.400 0.721 20 30 GCEDHM C[C@@H](C[C@H](C)NC(=O)c1ccc(C#N)[nH]1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574530759 950996417 /nfs/dbraw/zinc/99/64/17/950996417.db2.gz WRZFFNHFQIPNEE-UWVGGRQHSA-N -1 3 381.400 0.721 20 30 GCEDHM C[C@](CNc1ccnc(C#N)n1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575144990 952176080 /nfs/dbraw/zinc/17/60/80/952176080.db2.gz NUFDPKOINQKBAB-QGZVFWFLSA-N -1 3 378.400 0.289 20 30 GCEDHM C[C@](CNc1ccnc(C#N)n1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575144990 952176083 /nfs/dbraw/zinc/17/60/83/952176083.db2.gz NUFDPKOINQKBAB-QGZVFWFLSA-N -1 3 378.400 0.289 20 30 GCEDHM C[C@@](CNc1cncc(C#N)n1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575164020 952286288 /nfs/dbraw/zinc/28/62/88/952286288.db2.gz ARHCSWUEMQSRNV-KRWDZBQOSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@@](CNc1cncc(C#N)n1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575164020 952286293 /nfs/dbraw/zinc/28/62/93/952286293.db2.gz ARHCSWUEMQSRNV-KRWDZBQOSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@@H]1CN(c2ccncc2C#N)C[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571124628 952541846 /nfs/dbraw/zinc/54/18/46/952541846.db2.gz PNRHYEBOMMBTTM-BXUZGUMPSA-N -1 3 377.412 0.964 20 30 GCEDHM C[C@@H]1CN(c2ccncc2C#N)C[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571124628 952541852 /nfs/dbraw/zinc/54/18/52/952541852.db2.gz PNRHYEBOMMBTTM-BXUZGUMPSA-N -1 3 377.412 0.964 20 30 GCEDHM N#Cc1ccc(N2CCC[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001571135751 952608136 /nfs/dbraw/zinc/60/81/36/952608136.db2.gz CPAFGCYPFXRHHA-NSHDSACASA-N -1 3 378.400 0.503 20 30 GCEDHM N#Cc1ccc(N2CCC[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001571135751 952608139 /nfs/dbraw/zinc/60/81/39/952608139.db2.gz CPAFGCYPFXRHHA-NSHDSACASA-N -1 3 378.400 0.503 20 30 GCEDHM C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[C@H]1Nc1cnc(C#N)cn1 ZINC001571135746 952608248 /nfs/dbraw/zinc/60/82/48/952608248.db2.gz CNSCJWLTTYQHMM-GXFFZTMASA-N -1 3 378.400 0.819 20 30 GCEDHM C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[C@H]1Nc1cnc(C#N)cn1 ZINC001571135746 952608251 /nfs/dbraw/zinc/60/82/51/952608251.db2.gz CNSCJWLTTYQHMM-GXFFZTMASA-N -1 3 378.400 0.819 20 30 GCEDHM CCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCN(c2ccc(C#N)nn2)C1 ZINC001571135908 952609755 /nfs/dbraw/zinc/60/97/55/952609755.db2.gz HNLZZBOCYCCPDV-ZDUSSCGKSA-N -1 3 378.400 0.597 20 30 GCEDHM CCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCN(c2ccc(C#N)nn2)C1 ZINC001571135908 952609761 /nfs/dbraw/zinc/60/97/61/952609761.db2.gz HNLZZBOCYCCPDV-ZDUSSCGKSA-N -1 3 378.400 0.597 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1c1nccnc1C#N ZINC001571136085 952611991 /nfs/dbraw/zinc/61/19/91/952611991.db2.gz MCKILJAVVLXOSJ-QWRGUYRKSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1c1nccnc1C#N ZINC001571136085 952611993 /nfs/dbraw/zinc/61/19/93/952611993.db2.gz MCKILJAVVLXOSJ-QWRGUYRKSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H](Nc1cnc(C#N)cn1)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571136366 952612843 /nfs/dbraw/zinc/61/28/43/952612843.db2.gz OSSRUHIJHJAKDV-QWRGUYRKSA-N -1 3 378.400 0.819 20 30 GCEDHM C[C@H](Nc1cnc(C#N)cn1)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571136366 952612847 /nfs/dbraw/zinc/61/28/47/952612847.db2.gz OSSRUHIJHJAKDV-QWRGUYRKSA-N -1 3 378.400 0.819 20 30 GCEDHM N#Cc1nccnc1NC[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571136194 952613358 /nfs/dbraw/zinc/61/33/58/952613358.db2.gz NYGUUEFWXHXVGQ-GFCCVEGCSA-N -1 3 378.400 0.963 20 30 GCEDHM N#Cc1nccnc1NC[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571136194 952613360 /nfs/dbraw/zinc/61/33/60/952613360.db2.gz NYGUUEFWXHXVGQ-GFCCVEGCSA-N -1 3 378.400 0.963 20 30 GCEDHM Cc1cc(C#N)nc(N[C@@H]2C[C@H](C)N(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571136579 952615194 /nfs/dbraw/zinc/61/51/94/952615194.db2.gz RPKUWBZRYSRPEM-GXFFZTMASA-N -1 3 378.400 0.880 20 30 GCEDHM Cc1cc(C#N)nc(N[C@@H]2C[C@H](C)N(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571136579 952615198 /nfs/dbraw/zinc/61/51/98/952615198.db2.gz RPKUWBZRYSRPEM-GXFFZTMASA-N -1 3 378.400 0.880 20 30 GCEDHM N#Cc1cnc(NC[C@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001571136824 952617002 /nfs/dbraw/zinc/61/70/02/952617002.db2.gz XFYVESGVCBJPKI-GFCCVEGCSA-N -1 3 378.400 0.963 20 30 GCEDHM N#Cc1cnc(NC[C@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001571136824 952617004 /nfs/dbraw/zinc/61/70/04/952617004.db2.gz XFYVESGVCBJPKI-GFCCVEGCSA-N -1 3 378.400 0.963 20 30 GCEDHM C[C@@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1c1ccnc(C#N)n1 ZINC001571136846 952617016 /nfs/dbraw/zinc/61/70/16/952617016.db2.gz XXFHAIWOUXECSV-ZYHUDNBSSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1c1ccnc(C#N)n1 ZINC001571136846 952617018 /nfs/dbraw/zinc/61/70/18/952617018.db2.gz XXFHAIWOUXECSV-ZYHUDNBSSA-N -1 3 378.400 0.644 20 30 GCEDHM N#C[C@H]1CN(C(=O)Nc2cnn(Cc3ccc(-c4nnn[n-]4)cc3)c2)CCO1 ZINC001571139911 952622696 /nfs/dbraw/zinc/62/26/96/952622696.db2.gz KVNZOEFRMWTXQK-HNNXBMFYSA-N -1 3 379.384 0.868 20 30 GCEDHM N#C[C@H]1CN(C(=O)Nc2cnn(Cc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC001571139911 952622698 /nfs/dbraw/zinc/62/26/98/952622698.db2.gz KVNZOEFRMWTXQK-HNNXBMFYSA-N -1 3 379.384 0.868 20 30 GCEDHM N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571140042 952623816 /nfs/dbraw/zinc/62/38/16/952623816.db2.gz NXLHIKJEFLGVSB-WVSHTKLVSA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571140042 952623820 /nfs/dbraw/zinc/62/38/20/952623820.db2.gz NXLHIKJEFLGVSB-WVSHTKLVSA-N -1 3 379.384 0.333 20 30 GCEDHM C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001571141247 952631834 /nfs/dbraw/zinc/63/18/34/952631834.db2.gz WXVCYLLFTOVYMC-NOZJJQNGSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001571141247 952631838 /nfs/dbraw/zinc/63/18/38/952631838.db2.gz WXVCYLLFTOVYMC-NOZJJQNGSA-N -1 3 379.384 0.428 20 30 GCEDHM N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(-c3nnn[n-]3)cc2F)[nH]1 ZINC001571141703 952635901 /nfs/dbraw/zinc/63/59/01/952635901.db2.gz ZOMBWWONHANZIR-RYUDHWBXSA-N -1 3 379.359 0.704 20 30 GCEDHM N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(-c3nn[n-]n3)cc2F)[nH]1 ZINC001571141703 952635905 /nfs/dbraw/zinc/63/59/05/952635905.db2.gz ZOMBWWONHANZIR-RYUDHWBXSA-N -1 3 379.359 0.704 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCN([C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)CC1 ZINC001571180974 952861688 /nfs/dbraw/zinc/86/16/88/952861688.db2.gz RZEADDNLFFRYDY-KBPBESRZSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCN([C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)CC1 ZINC001571180974 952861690 /nfs/dbraw/zinc/86/16/90/952861690.db2.gz RZEADDNLFFRYDY-KBPBESRZSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)CC1 ZINC001571180979 952861930 /nfs/dbraw/zinc/86/19/30/952861930.db2.gz RZEADDNLFFRYDY-UONOGXRCSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)CC1 ZINC001571180979 952861935 /nfs/dbraw/zinc/86/19/35/952861935.db2.gz RZEADDNLFFRYDY-UONOGXRCSA-N -1 3 381.444 0.144 20 30 GCEDHM C#CCN(C)CCCNC(=O)[C@@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001588396056 958047026 /nfs/dbraw/zinc/04/70/26/958047026.db2.gz STWRQABEDGGGFT-GOSISDBHSA-N -1 3 383.445 0.148 20 30 GCEDHM CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@H](C(=O)[O-])C1 ZINC001598607325 993688631 /nfs/dbraw/zinc/68/86/31/993688631.db2.gz PBZXXMJCWGBRST-BFHYXJOUSA-N -1 3 395.460 0.403 20 30 GCEDHM C=CCNC(=O)C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000571358379 530116271 /nfs/dbraw/zinc/11/62/71/530116271.db2.gz ADZCUVPNIJEOTO-UHFFFAOYSA-N -1 3 375.834 0.888 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CSC[C@H]1C ZINC000571416590 530119709 /nfs/dbraw/zinc/11/97/09/530119709.db2.gz GVGVSZTWSULTRC-GRYCIOLGSA-N -1 3 389.524 0.907 20 30 GCEDHM CS(=O)(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000408434199 530194110 /nfs/dbraw/zinc/19/41/10/530194110.db2.gz XJUJTBNOCBCGEH-SNVBAGLBSA-N -1 3 377.875 0.914 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000298442189 530172294 /nfs/dbraw/zinc/17/22/94/530172294.db2.gz ZIWNDWJQVYXEAN-LLVKDONJSA-N -1 3 390.458 0.455 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCC1=CCCOC1 ZINC000518215757 530225670 /nfs/dbraw/zinc/22/56/70/530225670.db2.gz AFULWJYEMSZTML-LBPRGKRZSA-N -1 3 385.467 0.502 20 30 GCEDHM CC(C)C[C@@H]([N-]S(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)Nc1nccs1 ZINC000409475668 530229450 /nfs/dbraw/zinc/22/94/50/530229450.db2.gz JGOLTTJYJVXKSO-VXGBXAGGSA-N -1 3 387.487 0.555 20 30 GCEDHM CCN(C[C@H](C)C#N)S(=O)(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000409507337 530229625 /nfs/dbraw/zinc/22/96/25/530229625.db2.gz ISBHBWCQNIZVMP-LLVKDONJSA-N -1 3 380.517 0.342 20 30 GCEDHM COC(=O)C1CCC([N-]S(=O)(=O)N(C)C[C@@H](C)C#N)(C(=O)OC)CC1 ZINC000409499201 530229797 /nfs/dbraw/zinc/22/97/97/530229797.db2.gz KMZLCNQDUZIGCV-BZUNDVKYSA-N -1 3 375.447 0.187 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C(C)(C)O ZINC000518564685 530234279 /nfs/dbraw/zinc/23/42/79/530234279.db2.gz VJMGDTUTCFMSRS-UHFFFAOYSA-N -1 3 389.499 0.658 20 30 GCEDHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C#N ZINC000569470487 530236217 /nfs/dbraw/zinc/23/62/17/530236217.db2.gz CWRCDCVWQWVALV-IUODEOHRSA-N -1 3 389.499 0.658 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1C[C@@H](O)C1 ZINC000600760920 530242009 /nfs/dbraw/zinc/24/20/09/530242009.db2.gz MPKGOUSPSCECJK-UPJWGTAASA-N -1 3 387.483 0.268 20 30 GCEDHM CO[C@H]1C[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2(C#N)CC2)C1 ZINC000600759922 530242181 /nfs/dbraw/zinc/24/21/81/530242181.db2.gz GRTZYYSDYWTJQS-HAQNSBGRSA-N -1 3 385.467 0.477 20 30 GCEDHM CNS(=O)(=O)CC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000287565860 530246345 /nfs/dbraw/zinc/24/63/45/530246345.db2.gz XMNPMZYPFKVTLN-UHFFFAOYSA-N -1 3 382.261 0.148 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c(F)c1 ZINC000539386609 530252256 /nfs/dbraw/zinc/25/22/56/530252256.db2.gz PYIIZCIXIHJXCP-IUODEOHRSA-N -1 3 388.442 0.712 20 30 GCEDHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC#N)CCOC)cc1F ZINC000414459403 530216836 /nfs/dbraw/zinc/21/68/36/530216836.db2.gz ZQIHFKIBYZJMAV-UHFFFAOYSA-N -1 3 379.435 0.748 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H](O)[C@@H]1CCOC1 ZINC000561518228 530218335 /nfs/dbraw/zinc/21/83/35/530218335.db2.gz WKDJNWKYCZIDEO-BXKDBHETSA-N -1 3 375.244 0.996 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCN1C(=O)CCC1=O ZINC000286792676 530219729 /nfs/dbraw/zinc/21/97/29/530219729.db2.gz HBQOXTOMBGZEDK-UHFFFAOYSA-N -1 3 386.227 0.748 20 30 GCEDHM N#C[C@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000268084323 530221010 /nfs/dbraw/zinc/22/10/10/530221010.db2.gz JHKJGYCHNHBQEO-QMMMGPOBSA-N -1 3 394.272 0.540 20 30 GCEDHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)O1 ZINC000583452103 530274184 /nfs/dbraw/zinc/27/41/84/530274184.db2.gz SHJOBPYDUWLIED-CHWSQXEVSA-N -1 3 387.483 0.676 20 30 GCEDHM CCN(CC)S(=O)(=O)CC[N-]S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451170947 530253875 /nfs/dbraw/zinc/25/38/75/530253875.db2.gz LSUVYLQVAIGVAD-UHFFFAOYSA-N -1 3 377.463 0.788 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H]1CC[C@H](C(N)=O)O1 ZINC000288052298 530258440 /nfs/dbraw/zinc/25/84/40/530258440.db2.gz IQHOTCDNYRGOAB-LDYMZIIASA-N -1 3 388.243 0.632 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1CC[C@H](C(N)=O)O1 ZINC000288052263 530258546 /nfs/dbraw/zinc/25/85/46/530258546.db2.gz IQHOTCDNYRGOAB-GZMMTYOYSA-N -1 3 388.243 0.632 20 30 GCEDHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@@H](C#N)C2)cc1F ZINC000271181926 530268941 /nfs/dbraw/zinc/26/89/41/530268941.db2.gz CSNISKFFXZHQMF-JTQLQIEISA-N -1 3 377.419 0.500 20 30 GCEDHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCOC[C@@H]2C#N)cc1F ZINC000271189680 530269148 /nfs/dbraw/zinc/26/91/48/530269148.db2.gz FLNUWIAOYCOFLU-NSHDSACASA-N -1 3 391.446 0.890 20 30 GCEDHM C=CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000142136602 530301842 /nfs/dbraw/zinc/30/18/42/530301842.db2.gz GVZNGZSOGAIGAT-RYUDHWBXSA-N -1 3 392.524 0.617 20 30 GCEDHM C[C@@H](O)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000570060230 530315349 /nfs/dbraw/zinc/31/53/49/530315349.db2.gz HOYWLZIUVWJIQH-LLVKDONJSA-N -1 3 375.472 0.268 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1=CCCOC1 ZINC000570410444 530319178 /nfs/dbraw/zinc/31/91/78/530319178.db2.gz OHRZVRHVCIEGQH-UHFFFAOYSA-N -1 3 385.467 0.456 20 30 GCEDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)C1 ZINC000570696560 530323465 /nfs/dbraw/zinc/32/34/65/530323465.db2.gz NXJQSILMEAUXAF-BETUJISGSA-N -1 3 387.483 0.676 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)CO)cc1 ZINC000572781670 530324941 /nfs/dbraw/zinc/32/49/41/530324941.db2.gz YFECWUYVXYMFRV-SNVBAGLBSA-N -1 3 397.425 0.125 20 30 GCEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCS(=O)(=O)C1 ZINC000574300304 530369132 /nfs/dbraw/zinc/36/91/32/530369132.db2.gz YLPYQHGOFFQRBX-JTQLQIEISA-N -1 3 379.257 0.786 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC(C)(C)CO ZINC000594633637 530435561 /nfs/dbraw/zinc/43/55/61/530435561.db2.gz ZTMZVRBLHBEULS-LBPRGKRZSA-N -1 3 389.499 0.516 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H]1CC[C@H](O)C1 ZINC000594633931 530435728 /nfs/dbraw/zinc/43/57/28/530435728.db2.gz ZAESIQNDYOBRHT-OLZOCXBDSA-N -1 3 387.483 0.270 20 30 GCEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCOC1 ZINC000594634451 530436319 /nfs/dbraw/zinc/43/63/19/530436319.db2.gz RFIPFMJXANTPDS-STQMWFEESA-N -1 3 387.483 0.724 20 30 GCEDHM CC(C)(C#N)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000594635207 530436452 /nfs/dbraw/zinc/43/64/52/530436452.db2.gz QDYUCFOFFFSOCD-UHFFFAOYSA-N -1 3 382.467 0.849 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000594635159 530436456 /nfs/dbraw/zinc/43/64/56/530436456.db2.gz MFAUBAIPCPBPBZ-BETUJISGSA-N -1 3 387.483 0.318 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N)[C@H]1CCCCO1 ZINC000594635428 530436467 /nfs/dbraw/zinc/43/64/67/530436467.db2.gz XGJWOCMIPMWJEN-CHWSQXEVSA-N -1 3 387.483 0.724 20 30 GCEDHM C[C@@H]1COCCCN1S(=O)(=O)CCCS(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000594637363 530437171 /nfs/dbraw/zinc/43/71/71/530437171.db2.gz CGZDHTMJMUYRFT-HIFRSBDPSA-N -1 3 393.531 0.429 20 30 GCEDHM C[C@@H]1COCCCN1S(=O)(=O)CCCS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000594637364 530437491 /nfs/dbraw/zinc/43/74/91/530437491.db2.gz CGZDHTMJMUYRFT-UKRRQHHQSA-N -1 3 393.531 0.429 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCOC1 ZINC000594633313 530434861 /nfs/dbraw/zinc/43/48/61/530434861.db2.gz GJXNLHPPOLLUEN-OLZOCXBDSA-N -1 3 387.483 0.534 20 30 GCEDHM CC(C)(CO)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000594633330 530435029 /nfs/dbraw/zinc/43/50/29/530435029.db2.gz HMGVMONBCSPEGG-UHFFFAOYSA-N -1 3 387.483 0.318 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@@H](O)C1 ZINC000594633771 530435192 /nfs/dbraw/zinc/43/51/92/530435192.db2.gz HLTQNCKVPXQEEO-RWMBFGLXSA-N -1 3 387.483 0.316 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CC12CCOCC2 ZINC000594633803 530435263 /nfs/dbraw/zinc/43/52/63/530435263.db2.gz JODHRJAHGFUPJS-AWEZNQCLSA-N -1 3 385.467 0.336 20 30 GCEDHM N#CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)NC[C@H]2CCOC2)CC1 ZINC000594633628 530435287 /nfs/dbraw/zinc/43/52/87/530435287.db2.gz YTJBWZPIWGJNIL-GFCCVEGCSA-N -1 3 385.467 0.336 20 30 GCEDHM CC(C)O[C@H]1C[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C1 ZINC000594633659 530435419 /nfs/dbraw/zinc/43/54/19/530435419.db2.gz BSXUQFOEZIGOQP-BETUJISGSA-N -1 3 387.483 0.723 20 30 GCEDHM N#Cc1c(Br)cccc1OCC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000567681803 530464964 /nfs/dbraw/zinc/46/49/64/530464964.db2.gz OJBJELMVGVUSDC-NSHDSACASA-N -1 3 393.197 0.462 20 30 GCEDHM N#Cc1c(Br)cccc1OCC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000567681802 530465025 /nfs/dbraw/zinc/46/50/25/530465025.db2.gz OJBJELMVGVUSDC-LLVKDONJSA-N -1 3 393.197 0.462 20 30 GCEDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H](CNC(C)=O)C2)s1 ZINC000330476243 530520265 /nfs/dbraw/zinc/52/02/65/530520265.db2.gz KHEMCRKDCBBIIV-LBPRGKRZSA-N -1 3 388.515 0.918 20 30 GCEDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H](CNC(C)=O)C2)s1 ZINC000330476242 530520389 /nfs/dbraw/zinc/52/03/89/530520389.db2.gz KHEMCRKDCBBIIV-GFCCVEGCSA-N -1 3 388.515 0.918 20 30 GCEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCCO ZINC000563431363 530525948 /nfs/dbraw/zinc/52/59/48/530525948.db2.gz PPOFFLWNQHGONL-CYBMUJFWSA-N -1 3 375.472 0.174 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C)CCOCC1 ZINC000566488032 530530644 /nfs/dbraw/zinc/53/06/44/530530644.db2.gz IJPNGWFBVCGBSD-UHFFFAOYSA-N -1 3 387.483 0.678 20 30 GCEDHM CN(C1(CO)CC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000566488161 530530659 /nfs/dbraw/zinc/53/06/59/530530659.db2.gz MLSYKTAULQHIQX-UHFFFAOYSA-N -1 3 387.483 0.412 20 30 GCEDHM C[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000566488574 530530661 /nfs/dbraw/zinc/53/06/61/530530661.db2.gz HXHYEIRGQWJRDK-VXGBXAGGSA-N -1 3 387.483 0.411 20 30 GCEDHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N)C(C)(C)O ZINC000566630053 530532656 /nfs/dbraw/zinc/53/26/56/530532656.db2.gz OEFXSESOJYYEKH-CQSZACIVSA-N -1 3 389.499 0.658 20 30 GCEDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)CCO1 ZINC000566747727 530534123 /nfs/dbraw/zinc/53/41/23/530534123.db2.gz JCEOQCWUVVULEF-QWHCGFSZSA-N -1 3 387.483 0.676 20 30 GCEDHM N#C[C@@]1(NC(=O)C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCOC1 ZINC000567950075 530550615 /nfs/dbraw/zinc/55/06/15/530550615.db2.gz CVIKLGDZXKYGQS-ZDUSSCGKSA-N -1 3 377.344 0.783 20 30 GCEDHM N#CCCN(CCC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000444083449 530541622 /nfs/dbraw/zinc/54/16/22/530541622.db2.gz XZWFTZBVHRHNAP-UHFFFAOYSA-N -1 3 382.467 0.945 20 30 GCEDHM C=CCN1CCC([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000444089299 530541740 /nfs/dbraw/zinc/54/17/40/530541740.db2.gz WUIUFFSRGPOYFS-UHFFFAOYSA-N -1 3 387.527 0.866 20 30 GCEDHM CC#CC[C@H](CO)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000645883904 530550894 /nfs/dbraw/zinc/55/08/94/530550894.db2.gz NQXUVCBRFSWNEQ-CQSZACIVSA-N -1 3 386.495 0.524 20 30 GCEDHM C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C)C1=O ZINC000282709535 530559411 /nfs/dbraw/zinc/55/94/11/530559411.db2.gz YLLKMTAOBDOMKX-LBPRGKRZSA-N -1 3 387.483 0.002 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1(C#N)CC1 ZINC000568646482 530561996 /nfs/dbraw/zinc/56/19/96/530561996.db2.gz HGRQWMGLUCSTAU-LBPRGKRZSA-N -1 3 382.467 0.801 20 30 GCEDHM CO[C@@H](C)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000568646525 530562212 /nfs/dbraw/zinc/56/22/12/530562212.db2.gz IDNLBHSLCXDCCD-NSHDSACASA-N -1 3 375.472 0.580 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)ccc1F ZINC000288854989 530563436 /nfs/dbraw/zinc/56/34/36/530563436.db2.gz FIMNUISJGLCVLM-GXFFZTMASA-N -1 3 390.458 0.453 20 30 GCEDHM C=CCN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)[C@H]1CCS(=O)(=O)C1 ZINC000289796203 530563717 /nfs/dbraw/zinc/56/37/17/530563717.db2.gz MBJCDLDLPGXSOQ-HNNXBMFYSA-N -1 3 386.495 0.308 20 30 GCEDHM C=CCNC(=O)CNC(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000290398950 530564272 /nfs/dbraw/zinc/56/42/72/530564272.db2.gz LJSOPRZYVSVXBJ-UHFFFAOYSA-N -1 3 379.360 0.402 20 30 GCEDHM C=C[C@H](CO)[N-]S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C ZINC000290225428 530564514 /nfs/dbraw/zinc/56/45/14/530564514.db2.gz PDIPCXKMXIQPFY-MRVPVSSYSA-N -1 3 390.259 0.465 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1 ZINC000574771484 530594745 /nfs/dbraw/zinc/59/47/45/530594745.db2.gz XLJCBFBUKVFMOO-AVGNSLFASA-N -1 3 387.483 0.459 20 30 GCEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC ZINC000452018708 530596150 /nfs/dbraw/zinc/59/61/50/530596150.db2.gz CYXQYRMNGOJVGL-VIFPVBQESA-N -1 3 377.440 0.927 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC1(C)CCOCC1 ZINC000575196572 530598741 /nfs/dbraw/zinc/59/87/41/530598741.db2.gz PYCWESJCHJGSKG-LBPRGKRZSA-N -1 3 387.483 0.724 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCS1(=O)=O ZINC000329244217 530608713 /nfs/dbraw/zinc/60/87/13/530608713.db2.gz PQOALZWEVMYQDY-XPUUQOCRSA-N -1 3 380.220 0.244 20 30 GCEDHM C[C@@H]1C[C@@H](CNS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)[C@H](C)O1 ZINC000576956882 530613916 /nfs/dbraw/zinc/61/39/16/530613916.db2.gz DRMDXJPEJTWEGI-AGIUHOORSA-N -1 3 387.483 0.580 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C1(CO)CC1 ZINC000349452822 530636722 /nfs/dbraw/zinc/63/67/22/530636722.db2.gz OGGYYAWFCAKNIS-LBPRGKRZSA-N -1 3 387.483 0.412 20 30 GCEDHM C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CCN1C ZINC000349453878 530637282 /nfs/dbraw/zinc/63/72/82/530637282.db2.gz PCJVWKQKYBKNIM-OLZOCXBDSA-N -1 3 386.499 0.202 20 30 GCEDHM CN(CC[C@H]1CCCO1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349459608 530638889 /nfs/dbraw/zinc/63/88/89/530638889.db2.gz VCFFMDJJDMVLND-CYBMUJFWSA-N -1 3 387.483 0.678 20 30 GCEDHM C[C@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000349459759 530639012 /nfs/dbraw/zinc/63/90/12/530639012.db2.gz HTCPHLCJNWJCEW-KBPBESRZSA-N -1 3 393.531 0.307 20 30 GCEDHM N#CC1([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](F)[C@@H](F)C2)CCCCC1 ZINC000349461351 530639689 /nfs/dbraw/zinc/63/96/89/530639689.db2.gz HHKDCRVTUXRFTK-BETUJISGSA-N -1 3 399.485 0.844 20 30 GCEDHM CN([C@H]1CCOC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349465949 530642160 /nfs/dbraw/zinc/64/21/60/530642160.db2.gz DYZMTCSYKZPFFY-LBPRGKRZSA-N -1 3 385.467 0.430 20 30 GCEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](O)C1 ZINC000349466809 530642846 /nfs/dbraw/zinc/64/28/46/530642846.db2.gz GDTUBQPLYLZUFS-OLZOCXBDSA-N -1 3 387.483 0.412 20 30 GCEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(O)C2)C1 ZINC000349467939 530642885 /nfs/dbraw/zinc/64/28/85/530642885.db2.gz TYJFUVWSSFTUBV-DZGCQCFKSA-N -1 3 393.531 0.165 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000349466889 530643043 /nfs/dbraw/zinc/64/30/43/530643043.db2.gz RGSLRIUKRPDAGC-KKUMJFAQSA-N -1 3 394.563 0.198 20 30 GCEDHM CC#CC[C@H](CO)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000645494398 530618299 /nfs/dbraw/zinc/61/82/99/530618299.db2.gz HQGNPBIVRIOIQH-GFCCVEGCSA-N -1 3 391.852 0.831 20 30 GCEDHM COC1([C@@H](C)NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CCC1 ZINC000577231602 530618620 /nfs/dbraw/zinc/61/86/20/530618620.db2.gz NRYIEEBNOXWLCK-GFCCVEGCSA-N -1 3 387.483 0.724 20 30 GCEDHM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000588122055 530621088 /nfs/dbraw/zinc/62/10/88/530621088.db2.gz AUVIOAAQEQNMHB-SNVBAGLBSA-N -1 3 377.216 0.523 20 30 GCEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)C1 ZINC000349539677 530681520 /nfs/dbraw/zinc/68/15/20/530681520.db2.gz QZDURURKDYMCQS-GBJTYRQASA-N -1 3 393.531 0.211 20 30 GCEDHM COC[C@H](C)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000349470929 530644717 /nfs/dbraw/zinc/64/47/17/530644717.db2.gz NQWUVDBOLUDGOI-RYUDHWBXSA-N -1 3 375.472 0.532 20 30 GCEDHM COC[C@@H](C)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000349470927 530644869 /nfs/dbraw/zinc/64/48/69/530644869.db2.gz NQWUVDBOLUDGOI-NWDGAFQWSA-N -1 3 375.472 0.532 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCSCC1 ZINC000349473316 530645078 /nfs/dbraw/zinc/64/50/78/530645078.db2.gz RXMWTDVRSAPOHF-NSHDSACASA-N -1 3 375.497 0.614 20 30 GCEDHM N#CC1([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCCO2)CCCCC1 ZINC000349472980 530645162 /nfs/dbraw/zinc/64/51/62/530645162.db2.gz XVZFDNUWORZZLA-UHFFFAOYSA-N -1 3 379.504 0.880 20 30 GCEDHM N#CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CCC[C@@H]2CO)CC1 ZINC000349473330 530646013 /nfs/dbraw/zinc/64/60/13/530646013.db2.gz SADADQOTGPRPCD-GFCCVEGCSA-N -1 3 385.467 0.166 20 30 GCEDHM CCCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CC[C@H]1O ZINC000349474164 530646053 /nfs/dbraw/zinc/64/60/53/530646053.db2.gz USUZQNBOKQFYOW-CHWSQXEVSA-N -1 3 387.483 0.412 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCN(C)CC1 ZINC000349474433 530646576 /nfs/dbraw/zinc/64/65/76/530646576.db2.gz VBOYRGURTUBWLP-ZDUSSCGKSA-N -1 3 386.499 0.203 20 30 GCEDHM C[C@H](O)CCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000349479147 530648675 /nfs/dbraw/zinc/64/86/75/530648675.db2.gz IIBGCDWGVYQQCV-RYUDHWBXSA-N -1 3 375.472 0.268 20 30 GCEDHM CC[C@@H](CO)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349479748 530648792 /nfs/dbraw/zinc/64/87/92/530648792.db2.gz JOWDZKIQCRVQCG-LBPRGKRZSA-N -1 3 387.483 0.412 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H](O)CC1 ZINC000349482222 530651060 /nfs/dbraw/zinc/65/10/60/530651060.db2.gz QVBOZWPTDVNJNL-STQMWFEESA-N -1 3 387.483 0.412 20 30 GCEDHM C[C@]1(O)CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CC1 ZINC000349485125 530651646 /nfs/dbraw/zinc/65/16/46/530651646.db2.gz ZMXRNOIOZUYPGA-HNNXBMFYSA-N -1 3 387.483 0.414 20 30 GCEDHM CN(C1CC(O)C1)S(=O)(=O)CCCS(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000349490164 530654585 /nfs/dbraw/zinc/65/45/85/530654585.db2.gz GISHBVMHBMSXCA-UHFFFAOYSA-N -1 3 393.531 0.307 20 30 GCEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)C1 ZINC000349498152 530658586 /nfs/dbraw/zinc/65/85/86/530658586.db2.gz BTRROGCOGURZMB-KGLIPLIRSA-N -1 3 379.504 0.388 20 30 GCEDHM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)C[C@H]1C ZINC000349508005 530664485 /nfs/dbraw/zinc/66/44/85/530664485.db2.gz YUHIAVMLSBBSFH-GUTXKFCHSA-N -1 3 377.532 0.906 20 30 GCEDHM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)C[C@H]1C ZINC000349508008 530664678 /nfs/dbraw/zinc/66/46/78/530664678.db2.gz YUHIAVMLSBBSFH-VNHYZAJKSA-N -1 3 377.532 0.906 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCS[C@H](C)[C@H]1C ZINC000349514635 530668202 /nfs/dbraw/zinc/66/82/02/530668202.db2.gz VMZTYQPSGACRGO-MCIONIFRSA-N -1 3 397.588 1.000 20 30 GCEDHM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)CCCO1 ZINC000349527801 530673559 /nfs/dbraw/zinc/67/35/59/530673559.db2.gz WNXHVKJINXNZQK-ZFWWWQNUSA-N -1 3 393.531 0.429 20 30 GCEDHM C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)CO1 ZINC000349576523 530701456 /nfs/dbraw/zinc/70/14/56/530701456.db2.gz PVRBGYOHQXUARN-YRGRVCCFSA-N -1 3 379.504 0.085 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCCCO1 ZINC000579495181 530743541 /nfs/dbraw/zinc/74/35/41/530743541.db2.gz PPXYESVSPSXZIG-QWHCGFSZSA-N -1 3 387.483 0.724 20 30 GCEDHM CC[C@H](CC#N)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000578206335 530728481 /nfs/dbraw/zinc/72/84/81/530728481.db2.gz PKXPRVYNJSDPHH-GFCCVEGCSA-N -1 3 382.467 0.992 20 30 GCEDHM COCC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C(C)(C)C#N ZINC000578338740 530729874 /nfs/dbraw/zinc/72/98/74/530729874.db2.gz VZFOUIBRZFUGAM-UHFFFAOYSA-N -1 3 375.472 0.534 20 30 GCEDHM N#C[C@@]1(NC(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)CCOC1 ZINC000478659620 530751611 /nfs/dbraw/zinc/75/16/11/530751611.db2.gz PODMGTCSQQXZSB-NSHDSACASA-N -1 3 394.272 0.588 20 30 GCEDHM CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC(O)(CC#N)C2)cc1F ZINC000479295374 530757168 /nfs/dbraw/zinc/75/71/68/530757168.db2.gz KSBDOXKNQCEMIR-UHFFFAOYSA-N -1 3 391.446 0.625 20 30 GCEDHM Cc1cnc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)CC#N)cc2)o1 ZINC000579853478 530747805 /nfs/dbraw/zinc/74/78/05/530747805.db2.gz RITBNMYQBNHTRI-UHFFFAOYSA-N -1 3 384.439 0.606 20 30 GCEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1)C(=O)OC ZINC000481606002 530779925 /nfs/dbraw/zinc/77/99/25/530779925.db2.gz IWGWXMSJFHXGGL-CYBMUJFWSA-N -1 3 375.374 0.635 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)ccc1F ZINC000045308418 530780241 /nfs/dbraw/zinc/78/02/41/530780241.db2.gz BDVUGKYTSZZDOT-OAHLLOKOSA-N -1 3 390.458 0.597 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(CCN3CCOCC3)C2)s1 ZINC000603417540 530828608 /nfs/dbraw/zinc/82/86/08/530828608.db2.gz IMCDIKXRORZVMD-CQSZACIVSA-N -1 3 384.527 0.695 20 30 GCEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CN2CCN1CC2 ZINC000416435541 530846539 /nfs/dbraw/zinc/84/65/39/530846539.db2.gz FPQSGLCPABIBIG-CYBMUJFWSA-N -1 3 385.287 0.599 20 30 GCEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](O)[C@H]1CCOC1 ZINC000416464599 530846976 /nfs/dbraw/zinc/84/69/76/530846976.db2.gz XKAZXPJVASOVDS-JQWIXIFHSA-N -1 3 375.244 0.996 20 30 GCEDHM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)OC ZINC000416490641 530847631 /nfs/dbraw/zinc/84/76/31/530847631.db2.gz VSKNNBIHFQOCLZ-SNVBAGLBSA-N -1 3 377.216 0.787 20 30 GCEDHM CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N ZINC000583155486 530860553 /nfs/dbraw/zinc/86/05/53/530860553.db2.gz UCCLVEIBISMELL-OAHLLOKOSA-N -1 3 389.499 0.516 20 30 GCEDHM CCOC1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2(C#N)CC2)C1 ZINC000349444819 530872520 /nfs/dbraw/zinc/87/25/20/530872520.db2.gz AUNMSBOWXSXUBT-UHFFFAOYSA-N -1 3 385.467 0.430 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H](CO)CC1 ZINC000349464135 530872923 /nfs/dbraw/zinc/87/29/23/530872923.db2.gz BOUKWATYKYLBJJ-ZDUSSCGKSA-N -1 3 387.483 0.272 20 30 GCEDHM CCN(C[C@H](C)C#N)C(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000610210741 530843367 /nfs/dbraw/zinc/84/33/67/530843367.db2.gz PZDAYNJPAKCCSS-LLVKDONJSA-N -1 3 386.499 0.671 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCCOCC1 ZINC000582498811 530844725 /nfs/dbraw/zinc/84/47/25/530844725.db2.gz XEGODWGLZXXZIP-CYBMUJFWSA-N -1 3 387.483 0.678 20 30 GCEDHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000428360986 530897926 /nfs/dbraw/zinc/89/79/26/530897926.db2.gz CXRYBGVVUPHPJO-UHFFFAOYSA-N -1 3 381.435 0.198 20 30 GCEDHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)(C)C#N ZINC000349551129 530904078 /nfs/dbraw/zinc/90/40/78/530904078.db2.gz KEROUFCOGCJKQX-UHFFFAOYSA-N -1 3 377.492 0.628 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CC[C@@H](F)C1 ZINC000349560163 530906286 /nfs/dbraw/zinc/90/62/86/530906286.db2.gz YGLYECKGFVPZEU-MBNYWOFBSA-N -1 3 381.495 0.798 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](CCCO)C1 ZINC000349479367 530876153 /nfs/dbraw/zinc/87/61/53/530876153.db2.gz IWYLVPMXQTVEII-CYBMUJFWSA-N -1 3 387.483 0.272 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)CO ZINC000349483803 530878052 /nfs/dbraw/zinc/87/80/52/530878052.db2.gz WUEUSJZYEGXEPP-OLZOCXBDSA-N -1 3 389.499 0.514 20 30 GCEDHM CCN([C@@H](C)CO)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349483514 530878185 /nfs/dbraw/zinc/87/81/85/530878185.db2.gz VZURPQGLPOIASS-LBPRGKRZSA-N -1 3 387.483 0.412 20 30 GCEDHM COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)C1 ZINC000349494477 530880347 /nfs/dbraw/zinc/88/03/47/530880347.db2.gz CQJWEJXLNCURSZ-HIFRSBDPSA-N -1 3 393.531 0.429 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCOC(C)(C)C1 ZINC000349494645 530880439 /nfs/dbraw/zinc/88/04/39/530880439.db2.gz NTOGHTXRXBTGIC-AWEZNQCLSA-N -1 3 395.547 0.675 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1CF ZINC000349502400 530882976 /nfs/dbraw/zinc/88/29/76/530882976.db2.gz UMFVWYYVSIASIO-OCCSQVGLSA-N -1 3 381.495 0.752 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1CF ZINC000349502403 530883161 /nfs/dbraw/zinc/88/31/61/530883161.db2.gz UMFVWYYVSIASIO-TZMCWYRMSA-N -1 3 381.495 0.752 20 30 GCEDHM Cn1nccc1[C@H]1[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)CCC(=O)N1C ZINC000328937612 530910973 /nfs/dbraw/zinc/91/09/73/530910973.db2.gz GINHNUYPFMRLKF-IAQYHMDHSA-N -1 3 379.467 0.994 20 30 GCEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)C1 ZINC000349520634 530888600 /nfs/dbraw/zinc/88/86/00/530888600.db2.gz KEBNNVCTAFTWHL-ZNMIVQPWSA-N -1 3 393.531 0.165 20 30 GCEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000370982055 530888981 /nfs/dbraw/zinc/88/89/81/530888981.db2.gz IMRRXMBHPQGOHA-PSLIRLAXSA-N -1 3 382.829 0.868 20 30 GCEDHM CN(C[C@@H]1CCCOC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349465414 530889932 /nfs/dbraw/zinc/88/99/32/530889932.db2.gz DGYVREXOTQAYSW-ZDUSSCGKSA-N -1 3 387.483 0.536 20 30 GCEDHM CC1(C#N)CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2cncc(F)c2)C1 ZINC000349607624 530911068 /nfs/dbraw/zinc/91/10/68/530911068.db2.gz GADPEVCIESQLCV-UHFFFAOYSA-N -1 3 390.462 0.918 20 30 GCEDHM CCc1ncc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)cn1 ZINC000349588757 530897751 /nfs/dbraw/zinc/89/77/51/530897751.db2.gz BHUBKWXJPKEZFR-UHFFFAOYSA-N -1 3 387.487 0.346 20 30 GCEDHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC(=O)NCC#N)c1OC ZINC000511027745 530932521 /nfs/dbraw/zinc/93/25/21/530932521.db2.gz IRWDAZNGFXMHFK-UHFFFAOYSA-N -1 3 375.790 0.053 20 30 GCEDHM N#CCNC(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000511056631 530932525 /nfs/dbraw/zinc/93/25/25/530932525.db2.gz ASVCSDPANPNNJO-UHFFFAOYSA-N -1 3 377.176 0.275 20 30 GCEDHM N#C[C@]1(F)CCN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2cccnc2)C1 ZINC000349623828 530913704 /nfs/dbraw/zinc/91/37/04/530913704.db2.gz TUAVSQXJIYAHNG-CQSZACIVSA-N -1 3 390.462 0.871 20 30 GCEDHM CO[C@H]1C[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C1(C)C ZINC000584480890 530915954 /nfs/dbraw/zinc/91/59/54/530915954.db2.gz RSRAQAFBZQZVHL-KBPBESRZSA-N -1 3 387.483 0.580 20 30 GCEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000269786936 530927574 /nfs/dbraw/zinc/92/75/74/530927574.db2.gz JCNWOXQAWSNWJO-ZUZCIYMTSA-N -1 3 382.829 0.868 20 30 GCEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000269786932 530927668 /nfs/dbraw/zinc/92/76/68/530927668.db2.gz JCNWOXQAWSNWJO-MEBBXXQBSA-N -1 3 382.829 0.868 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](C)O ZINC000517176971 530959067 /nfs/dbraw/zinc/95/90/67/530959067.db2.gz VUCFKFHKINMRJT-NWDGAFQWSA-N -1 3 375.472 0.172 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]CC(=O)N2CCOCC2)c(C(F)(F)F)c1 ZINC000271873481 530939416 /nfs/dbraw/zinc/93/94/16/530939416.db2.gz GZJCBWXGZTTYIV-UHFFFAOYSA-N -1 3 377.344 0.714 20 30 GCEDHM C=CCNC(=O)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000511825608 530940104 /nfs/dbraw/zinc/94/01/04/530940104.db2.gz VQFBWLVWXJCSPA-UHFFFAOYSA-N -1 3 392.840 0.359 20 30 GCEDHM CS(=O)(=O)N[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000269827296 530942923 /nfs/dbraw/zinc/94/29/23/530942923.db2.gz OPFRLXXEDCEULM-GXFFZTMASA-N -1 3 375.447 0.694 20 30 GCEDHM COC(=O)CCN1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1=O ZINC000503852745 530978701 /nfs/dbraw/zinc/97/87/01/530978701.db2.gz FDUHHZLQEGNIIR-LBPRGKRZSA-N -1 3 385.829 0.654 20 30 GCEDHM C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000272809941 531007712 /nfs/dbraw/zinc/00/77/12/531007712.db2.gz GVKPAMJHOAYTCO-UHFFFAOYSA-N -1 3 376.431 0.590 20 30 GCEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 ZINC000538120021 531030150 /nfs/dbraw/zinc/03/01/50/531030150.db2.gz KZPNWDJYDLFTMY-GFCCVEGCSA-N -1 3 396.556 0.693 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CS(=O)(=O)CC)ccc1F ZINC000264845182 531003153 /nfs/dbraw/zinc/00/31/53/531003153.db2.gz ANGKWWXBIKTMEH-LLVKDONJSA-N -1 3 392.474 0.843 20 30 GCEDHM C=C[C@H](CO)[N-]S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000660099475 531003801 /nfs/dbraw/zinc/00/38/01/531003801.db2.gz IMCQGZRXOXNAOU-SSDOTTSWSA-N -1 3 377.216 0.605 20 30 GCEDHM C=CCNC(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000540728464 531052139 /nfs/dbraw/zinc/05/21/39/531052139.db2.gz VXVFIWXTNNKVTC-UHFFFAOYSA-N -1 3 378.204 0.938 20 30 GCEDHM CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1(C)COC1 ZINC000516089078 531093598 /nfs/dbraw/zinc/09/35/98/531093598.db2.gz OJGALFGMHPKROB-UHFFFAOYSA-N -1 3 387.483 0.536 20 30 GCEDHM O=C(NCC#CCO)c1c[n-]c2ccc(I)cc2c1=O ZINC000550101771 531130349 /nfs/dbraw/zinc/13/03/49/531130349.db2.gz VIGPVCOTIFIZBB-UHFFFAOYSA-N -1 3 382.157 0.858 20 30 GCEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCCN1CCC1 ZINC000564665665 531175482 /nfs/dbraw/zinc/17/54/82/531175482.db2.gz CNJWPTIGVHDNQC-UHFFFAOYSA-N -1 3 386.499 0.251 20 30 GCEDHM CC(C)(C#N)NS(=O)(=O)c1cccc(S(=O)(=O)[N-]CC(F)(F)CO)c1 ZINC000565231404 531181934 /nfs/dbraw/zinc/18/19/34/531181934.db2.gz MMBRWZBOPZHYDC-UHFFFAOYSA-N -1 3 397.425 0.173 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CC[C@@H](CO)C1 ZINC000565372677 531184880 /nfs/dbraw/zinc/18/48/80/531184880.db2.gz QCHCTCZDURVPQR-XQQFMLRXSA-N -1 3 387.483 0.316 20 30 GCEDHM C=CCN1CC[C@@H](N(C)C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1=O ZINC000684987889 531188697 /nfs/dbraw/zinc/18/86/97/531188697.db2.gz OHNZJNBSFFOATF-SNVBAGLBSA-N -1 3 391.902 0.925 20 30 GCEDHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C#N ZINC000565902822 531191735 /nfs/dbraw/zinc/19/17/35/531191735.db2.gz BRJVKSADIXMZEN-FRRDWIJNSA-N -1 3 389.499 0.921 20 30 GCEDHM C#CCNC(=O)C1CCN([C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735381899 598860021 /nfs/dbraw/zinc/86/00/21/598860021.db2.gz RULRYYQTCCPYQQ-INIZCTEOSA-N -1 3 382.424 0.542 20 30 GCEDHM C#CCNC(=O)C1CCN([C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735381899 598860023 /nfs/dbraw/zinc/86/00/23/598860023.db2.gz RULRYYQTCCPYQQ-INIZCTEOSA-N -1 3 382.424 0.542 20 30 GCEDHM CC(C)[C@@H](C#N)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000735689823 598868026 /nfs/dbraw/zinc/86/80/26/598868026.db2.gz BYFSWKCCDIQNCR-UONOGXRCSA-N -1 3 396.411 0.736 20 30 GCEDHM CC(C)[C@@H](C#N)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735689823 598868028 /nfs/dbraw/zinc/86/80/28/598868028.db2.gz BYFSWKCCDIQNCR-UONOGXRCSA-N -1 3 396.411 0.736 20 30 GCEDHM C[C@@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736104618 598894303 /nfs/dbraw/zinc/89/43/03/598894303.db2.gz HRZAJKNZBJRQFE-RKQLKTQESA-N -1 3 381.396 0.960 20 30 GCEDHM C#CCNC(=O)CN1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000735381682 598895589 /nfs/dbraw/zinc/89/55/89/598895589.db2.gz OOPOJZWRSCYRII-UHFFFAOYSA-N -1 3 384.400 0.036 20 30 GCEDHM C#CCNC(=O)CN1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000735381682 598895590 /nfs/dbraw/zinc/89/55/90/598895590.db2.gz OOPOJZWRSCYRII-UHFFFAOYSA-N -1 3 384.400 0.036 20 30 GCEDHM CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737166548 598918585 /nfs/dbraw/zinc/91/85/85/598918585.db2.gz RMIOBWXCTCCPQK-ZDUSSCGKSA-N -1 3 375.414 0.491 20 30 GCEDHM CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737166548 598918587 /nfs/dbraw/zinc/91/85/87/598918587.db2.gz RMIOBWXCTCCPQK-ZDUSSCGKSA-N -1 3 375.414 0.491 20 30 GCEDHM N#Cc1cc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1-c1nnn[n-]1 ZINC000737708435 598920083 /nfs/dbraw/zinc/92/00/83/598920083.db2.gz FYDAVNSMHIPSMM-ZIAGYGMSSA-N -1 3 379.380 0.852 20 30 GCEDHM N#Cc1cc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1-c1nn[n-]n1 ZINC000737708435 598920085 /nfs/dbraw/zinc/92/00/85/598920085.db2.gz FYDAVNSMHIPSMM-ZIAGYGMSSA-N -1 3 379.380 0.852 20 30 GCEDHM N#Cc1cc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)ccc1-c1nnn[n-]1 ZINC000737706727 598926765 /nfs/dbraw/zinc/92/67/65/598926765.db2.gz YLCVBASQTWUUSH-UHFFFAOYSA-N -1 3 396.392 0.174 20 30 GCEDHM N#Cc1cc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)ccc1-c1nn[n-]n1 ZINC000737706727 598926766 /nfs/dbraw/zinc/92/67/66/598926766.db2.gz YLCVBASQTWUUSH-UHFFFAOYSA-N -1 3 396.392 0.174 20 30 GCEDHM CCn1cc(C#N)c(=O)n(CCOc2ccc(-c3nnn[n-]3)cc2OC)c1=O ZINC000736717407 598937611 /nfs/dbraw/zinc/93/76/11/598937611.db2.gz APTWKHWLFUCERL-UHFFFAOYSA-N -1 3 383.368 0.169 20 30 GCEDHM CCn1cc(C#N)c(=O)n(CCOc2ccc(-c3nn[n-]n3)cc2OC)c1=O ZINC000736717407 598937612 /nfs/dbraw/zinc/93/76/12/598937612.db2.gz APTWKHWLFUCERL-UHFFFAOYSA-N -1 3 383.368 0.169 20 30 GCEDHM Cc1ccc(C#N)cc1S(=O)(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000737304896 598953404 /nfs/dbraw/zinc/95/34/04/598953404.db2.gz CAJKYGSGNJYILF-UHFFFAOYSA-N -1 3 384.425 0.832 20 30 GCEDHM Cc1ccc(C#N)cc1S(=O)(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737304896 598953406 /nfs/dbraw/zinc/95/34/06/598953406.db2.gz CAJKYGSGNJYILF-UHFFFAOYSA-N -1 3 384.425 0.832 20 30 GCEDHM C#CCN(CCOc1ccc(-c2nnn[n-]2)cc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000735374093 598985070 /nfs/dbraw/zinc/98/50/70/598985070.db2.gz BRRPOJAGICNMJR-AWEZNQCLSA-N -1 3 391.453 0.376 20 30 GCEDHM C#CCN(CCOc1ccc(-c2nn[n-]n2)cc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000735374093 598985072 /nfs/dbraw/zinc/98/50/72/598985072.db2.gz BRRPOJAGICNMJR-AWEZNQCLSA-N -1 3 391.453 0.376 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737846064 599057211 /nfs/dbraw/zinc/05/72/11/599057211.db2.gz DXCWVDUJWIURTJ-ICFOKQHNSA-N -1 3 386.343 0.966 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737846064 599057212 /nfs/dbraw/zinc/05/72/12/599057212.db2.gz DXCWVDUJWIURTJ-ICFOKQHNSA-N -1 3 386.343 0.966 20 30 GCEDHM N#Cc1ccc([C@H](C(N)=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000737713461 599071223 /nfs/dbraw/zinc/07/12/23/599071223.db2.gz XWYRFDYTQVLXNU-QGZVFWFLSA-N -1 3 389.423 0.482 20 30 GCEDHM N#Cc1ccc([C@H](C(N)=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000737713461 599071225 /nfs/dbraw/zinc/07/12/25/599071225.db2.gz XWYRFDYTQVLXNU-QGZVFWFLSA-N -1 3 389.423 0.482 20 30 GCEDHM C#Cc1cccc(NC(=O)CN[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735391172 599092474 /nfs/dbraw/zinc/09/24/74/599092474.db2.gz NWRRPHODGRWCLE-QGZVFWFLSA-N -1 3 375.392 0.603 20 30 GCEDHM C#Cc1cccc(NC(=O)CN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735391172 599092477 /nfs/dbraw/zinc/09/24/77/599092477.db2.gz NWRRPHODGRWCLE-QGZVFWFLSA-N -1 3 375.392 0.603 20 30 GCEDHM N#Cc1ccccc1OCC(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737728081 599111862 /nfs/dbraw/zinc/11/18/62/599111862.db2.gz XRIDKSLRSNAPLW-INIZCTEOSA-N -1 3 378.348 0.887 20 30 GCEDHM N#Cc1ccccc1OCC(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737728081 599111864 /nfs/dbraw/zinc/11/18/64/599111864.db2.gz XRIDKSLRSNAPLW-INIZCTEOSA-N -1 3 378.348 0.887 20 30 GCEDHM Cc1cc(N2CC[C@@H](Sc3nc(N)c(C#N)cc3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000822207199 599124531 /nfs/dbraw/zinc/12/45/31/599124531.db2.gz OAFSICKYGZQMDT-LLVKDONJSA-N -1 3 396.440 0.655 20 30 GCEDHM Cc1cc(N2CC[C@@H](Sc3nc(N)c(C#N)cc3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000822207199 599124533 /nfs/dbraw/zinc/12/45/33/599124533.db2.gz OAFSICKYGZQMDT-LLVKDONJSA-N -1 3 396.440 0.655 20 30 GCEDHM C=CCN1C(=O)C(=O)N(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1=O ZINC000735426788 599156513 /nfs/dbraw/zinc/15/65/13/599156513.db2.gz WVDWDYFXVXWSNA-UHFFFAOYSA-N -1 3 380.324 0.394 20 30 GCEDHM C=CCN1C(=O)C(=O)N(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C1=O ZINC000735426788 599156515 /nfs/dbraw/zinc/15/65/15/599156515.db2.gz WVDWDYFXVXWSNA-UHFFFAOYSA-N -1 3 380.324 0.394 20 30 GCEDHM CCn1cc(C#N)c(=O)n(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1=O ZINC000736717815 599161008 /nfs/dbraw/zinc/16/10/08/599161008.db2.gz FMUWCZBTLOORGF-UHFFFAOYSA-N -1 3 391.351 0.180 20 30 GCEDHM CCn1cc(C#N)c(=O)n(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1=O ZINC000736717815 599161010 /nfs/dbraw/zinc/16/10/10/599161010.db2.gz FMUWCZBTLOORGF-UHFFFAOYSA-N -1 3 391.351 0.180 20 30 GCEDHM Cn1ccc(N2CCC[C@@H](Sc3nc(N)c(-c4nnn[n-]4)cc3C#N)C2=O)n1 ZINC000737611637 599162170 /nfs/dbraw/zinc/16/21/70/599162170.db2.gz FDHCONLAURSMGO-LLVKDONJSA-N -1 3 396.440 0.737 20 30 GCEDHM Cn1ccc(N2CCC[C@@H](Sc3nc(N)c(-c4nn[n-]n4)cc3C#N)C2=O)n1 ZINC000737611637 599162173 /nfs/dbraw/zinc/16/21/73/599162173.db2.gz FDHCONLAURSMGO-LLVKDONJSA-N -1 3 396.440 0.737 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735419917 599193241 /nfs/dbraw/zinc/19/32/41/599193241.db2.gz KBWFSOJYTUOOPQ-UHFFFAOYSA-N -1 3 381.396 0.093 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735419917 599193242 /nfs/dbraw/zinc/19/32/42/599193242.db2.gz KBWFSOJYTUOOPQ-UHFFFAOYSA-N -1 3 381.396 0.093 20 30 GCEDHM Cc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cccc1-c1nnn[n-]1 ZINC000822044229 607276105 /nfs/dbraw/zinc/27/61/05/607276105.db2.gz JCORFXNVBWBCBR-CYBMUJFWSA-N -1 3 380.412 0.312 20 30 GCEDHM Cc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cccc1-c1nn[n-]n1 ZINC000822044229 607276106 /nfs/dbraw/zinc/27/61/06/607276106.db2.gz JCORFXNVBWBCBR-CYBMUJFWSA-N -1 3 380.412 0.312 20 30 GCEDHM N#CCCn1ccc(NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)n1 ZINC000822811291 599284873 /nfs/dbraw/zinc/28/48/73/599284873.db2.gz UPZQTEDAGOEFEU-UHFFFAOYSA-N -1 3 393.415 0.726 20 30 GCEDHM N#CCCn1ccc(NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)n1 ZINC000822811291 599284877 /nfs/dbraw/zinc/28/48/77/599284877.db2.gz UPZQTEDAGOEFEU-UHFFFAOYSA-N -1 3 393.415 0.726 20 30 GCEDHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN2CCC(C#N)CC2)C1=O ZINC000736222433 598234469 /nfs/dbraw/zinc/23/44/69/598234469.db2.gz GPPLIANLJSJMTA-SFHVURJKSA-N -1 3 380.412 0.827 20 30 GCEDHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CCC(C#N)CC2)C1=O ZINC000736222433 598234471 /nfs/dbraw/zinc/23/44/71/598234471.db2.gz GPPLIANLJSJMTA-SFHVURJKSA-N -1 3 380.412 0.827 20 30 GCEDHM C[C@](C#N)(NC(=O)CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1)C1CC1 ZINC000735504607 598255746 /nfs/dbraw/zinc/25/57/46/598255746.db2.gz PHUUACGOWLBMPM-LJQANCHMSA-N -1 3 398.446 0.936 20 30 GCEDHM C[C@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)C(=O)NC(=O)NC(C)(C)C ZINC000736194046 598273514 /nfs/dbraw/zinc/27/35/14/598273514.db2.gz XHDZJMJEDHXTNQ-ZETCQYMHSA-N -1 3 389.445 0.820 20 30 GCEDHM C[C@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)C(=O)NC(=O)NC(C)(C)C ZINC000736194046 598273516 /nfs/dbraw/zinc/27/35/16/598273516.db2.gz XHDZJMJEDHXTNQ-ZETCQYMHSA-N -1 3 389.445 0.820 20 30 GCEDHM N#C[C@@H]1CN(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCO1 ZINC000737678727 598374639 /nfs/dbraw/zinc/37/46/39/598374639.db2.gz LZMUKBXNRUJHNH-CQSZACIVSA-N -1 3 383.416 0.164 20 30 GCEDHM N#C[C@@H]1CN(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCO1 ZINC000737678727 598374641 /nfs/dbraw/zinc/37/46/41/598374641.db2.gz LZMUKBXNRUJHNH-CQSZACIVSA-N -1 3 383.416 0.164 20 30 GCEDHM C=CCN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000735415928 598382225 /nfs/dbraw/zinc/38/22/25/598382225.db2.gz AWXFLQZZLUGERG-CQSZACIVSA-N -1 3 376.442 0.480 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cn1cnc2c1ncnc2N ZINC000735419804 598408120 /nfs/dbraw/zinc/40/81/20/598408120.db2.gz ITSSAHHZEGTNQD-UHFFFAOYSA-N -1 3 390.411 0.803 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cn1cnc2c1ncnc2N ZINC000735419804 598408122 /nfs/dbraw/zinc/40/81/22/598408122.db2.gz ITSSAHHZEGTNQD-UHFFFAOYSA-N -1 3 390.411 0.803 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)NCCNS(C)(=O)=O ZINC000735418554 598416316 /nfs/dbraw/zinc/41/63/16/598416316.db2.gz GPWOAGSNHDFAKZ-UHFFFAOYSA-N -1 3 395.514 0.278 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)NCCNS(C)(=O)=O ZINC000735418554 598416317 /nfs/dbraw/zinc/41/63/17/598416317.db2.gz GPWOAGSNHDFAKZ-UHFFFAOYSA-N -1 3 395.514 0.278 20 30 GCEDHM N#CCN1CCC(NC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)CC1 ZINC000737695486 598430267 /nfs/dbraw/zinc/43/02/67/598430267.db2.gz KRORUAGVSNHTHS-UHFFFAOYSA-N -1 3 395.471 0.686 20 30 GCEDHM N#CCN1CCC(NC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)CC1 ZINC000737695486 598430269 /nfs/dbraw/zinc/43/02/69/598430269.db2.gz KRORUAGVSNHTHS-UHFFFAOYSA-N -1 3 395.471 0.686 20 30 GCEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000736636096 598432717 /nfs/dbraw/zinc/43/27/17/598432717.db2.gz NWBBKVZJOLCWRA-UHFFFAOYSA-N -1 3 398.427 0.308 20 30 GCEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000736636096 598432719 /nfs/dbraw/zinc/43/27/19/598432719.db2.gz NWBBKVZJOLCWRA-UHFFFAOYSA-N -1 3 398.427 0.308 20 30 GCEDHM C=CCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000004240787 598530596 /nfs/dbraw/zinc/53/05/96/598530596.db2.gz FBMRDLYZQZVQIL-UHFFFAOYSA-N -1 3 376.442 0.570 20 30 GCEDHM C=CCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000004240787 598530597 /nfs/dbraw/zinc/53/05/97/598530597.db2.gz FBMRDLYZQZVQIL-UHFFFAOYSA-N -1 3 376.442 0.570 20 30 GCEDHM C=CCN(CCC(=O)Nc1sccc1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000735419034 598538660 /nfs/dbraw/zinc/53/86/60/598538660.db2.gz PCSWYEBJLSDXOM-LLVKDONJSA-N -1 3 396.498 0.932 20 30 GCEDHM C=CCN(CCC(=O)Nc1sccc1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000735419034 598538662 /nfs/dbraw/zinc/53/86/62/598538662.db2.gz PCSWYEBJLSDXOM-LLVKDONJSA-N -1 3 396.498 0.932 20 30 GCEDHM N#Cc1cc(-c2nnn[n-]2)c(SCC(=O)NCC(=O)c2ccccc2)nc1N ZINC000737703889 598569791 /nfs/dbraw/zinc/56/97/91/598569791.db2.gz GFHRHIQUZBXCIH-UHFFFAOYSA-N -1 3 394.420 0.807 20 30 GCEDHM N#Cc1cc(-c2nn[n-]n2)c(SCC(=O)NCC(=O)c2ccccc2)nc1N ZINC000737703889 598569793 /nfs/dbraw/zinc/56/97/93/598569793.db2.gz GFHRHIQUZBXCIH-UHFFFAOYSA-N -1 3 394.420 0.807 20 30 GCEDHM N#CCCCCS(=O)(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000737688180 598595563 /nfs/dbraw/zinc/59/55/63/598595563.db2.gz RBKJTRATBKAMCB-UHFFFAOYSA-N -1 3 376.446 0.407 20 30 GCEDHM N#CCCCCS(=O)(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000737688180 598595565 /nfs/dbraw/zinc/59/55/65/598595565.db2.gz RBKJTRATBKAMCB-UHFFFAOYSA-N -1 3 376.446 0.407 20 30 GCEDHM C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735433008 598621359 /nfs/dbraw/zinc/62/13/59/598621359.db2.gz XZWQEBZJJZBCFQ-CQSZACIVSA-N -1 3 399.411 0.391 20 30 GCEDHM N#CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737693555 598641535 /nfs/dbraw/zinc/64/15/35/598641535.db2.gz GEOIRMGTTCPHHV-UHFFFAOYSA-N -1 3 389.441 0.297 20 30 GCEDHM N#CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737693555 598641537 /nfs/dbraw/zinc/64/15/37/598641537.db2.gz GEOIRMGTTCPHHV-UHFFFAOYSA-N -1 3 389.441 0.297 20 30 GCEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCNC(=O)C1N=CC=CC1=O ZINC000737797082 598697914 /nfs/dbraw/zinc/69/79/14/598697914.db2.gz DJNZZGIFUQEERR-SHVOTKMVSA-N -1 3 379.380 0.523 20 30 GCEDHM C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735431668 598712641 /nfs/dbraw/zinc/71/26/41/598712641.db2.gz ICBWJXKTNFDOKN-JTQLQIEISA-N -1 3 390.425 0.902 20 30 GCEDHM C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735431668 598712642 /nfs/dbraw/zinc/71/26/42/598712642.db2.gz ICBWJXKTNFDOKN-JTQLQIEISA-N -1 3 390.425 0.902 20 30 GCEDHM C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735431670 598713069 /nfs/dbraw/zinc/71/30/69/598713069.db2.gz ICBWJXKTNFDOKN-SNVBAGLBSA-N -1 3 390.425 0.902 20 30 GCEDHM C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735431670 598713071 /nfs/dbraw/zinc/71/30/71/598713071.db2.gz ICBWJXKTNFDOKN-SNVBAGLBSA-N -1 3 390.425 0.902 20 30 GCEDHM N#C[C@@H]1CN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CCN1C1CC1 ZINC000737680181 598759699 /nfs/dbraw/zinc/75/96/99/598759699.db2.gz XSPXUJKXKXMTLV-CQSZACIVSA-N -1 3 382.432 0.055 20 30 GCEDHM N#C[C@@H]1CN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CCN1C1CC1 ZINC000737680181 598759700 /nfs/dbraw/zinc/75/97/00/598759700.db2.gz XSPXUJKXKXMTLV-CQSZACIVSA-N -1 3 382.432 0.055 20 30 GCEDHM N#CCCCCS(=O)(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000737686946 598813041 /nfs/dbraw/zinc/81/30/41/598813041.db2.gz FULAVFRGFXNUNY-UHFFFAOYSA-N -1 3 376.446 0.407 20 30 GCEDHM N#CCCCCS(=O)(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000737686946 598813043 /nfs/dbraw/zinc/81/30/43/598813043.db2.gz FULAVFRGFXNUNY-UHFFFAOYSA-N -1 3 376.446 0.407 20 30 GCEDHM C#CCN(C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000735374257 598818263 /nfs/dbraw/zinc/81/82/63/598818263.db2.gz GARCJVDIIAFYKV-TZMCWYRMSA-N -1 3 389.437 0.283 20 30 GCEDHM CS(=O)(=O)CCNN=C1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737163155 598820632 /nfs/dbraw/zinc/82/06/32/598820632.db2.gz UCTJSANBWHTKKQ-UHFFFAOYSA-N -1 3 377.474 0.453 20 30 GCEDHM C=CCn1c(C)nnc1S(=O)(=O)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000819758862 599299258 /nfs/dbraw/zinc/29/92/58/599299258.db2.gz IMAUNLIZHJYMBJ-UHFFFAOYSA-N -1 3 388.413 0.365 20 30 GCEDHM C=CCn1c(C)nnc1S(=O)(=O)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000819758862 599299260 /nfs/dbraw/zinc/29/92/60/599299260.db2.gz IMAUNLIZHJYMBJ-UHFFFAOYSA-N -1 3 388.413 0.365 20 30 GCEDHM N#C[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000822806204 599358680 /nfs/dbraw/zinc/35/86/80/599358680.db2.gz KOKRCTCDUHAFJW-VIFPVBQESA-N -1 3 388.331 0.799 20 30 GCEDHM N#C[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000822806204 599358682 /nfs/dbraw/zinc/35/86/82/599358682.db2.gz KOKRCTCDUHAFJW-VIFPVBQESA-N -1 3 388.331 0.799 20 30 GCEDHM Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1-c1nnn[n-]1 ZINC000822312700 599605636 /nfs/dbraw/zinc/60/56/36/599605636.db2.gz IUNZCXPFMQQBCS-ZDUSSCGKSA-N -1 3 380.412 0.312 20 30 GCEDHM Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1-c1nn[n-]n1 ZINC000822312700 599605638 /nfs/dbraw/zinc/60/56/38/599605638.db2.gz IUNZCXPFMQQBCS-ZDUSSCGKSA-N -1 3 380.412 0.312 20 30 GCEDHM C#CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000819701287 599637182 /nfs/dbraw/zinc/63/71/82/599637182.db2.gz BOFPJOVWGWYGPD-AWEZNQCLSA-N -1 3 399.436 0.539 20 30 GCEDHM C#CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000819701287 599637183 /nfs/dbraw/zinc/63/71/83/599637183.db2.gz BOFPJOVWGWYGPD-AWEZNQCLSA-N -1 3 399.436 0.539 20 30 GCEDHM C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819751320 599679984 /nfs/dbraw/zinc/67/99/84/599679984.db2.gz TVYUBXFWDAQRRI-CQSZACIVSA-N -1 3 398.471 0.557 20 30 GCEDHM C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819751320 599679985 /nfs/dbraw/zinc/67/99/85/599679985.db2.gz TVYUBXFWDAQRRI-CQSZACIVSA-N -1 3 398.471 0.557 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CN(C)Cc1nnc(C)n1C ZINC000819743541 599698347 /nfs/dbraw/zinc/69/83/47/599698347.db2.gz LKGCPRAYUVAHQA-UHFFFAOYSA-N -1 3 395.471 0.950 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CN(C)Cc1nnc(C)n1C ZINC000819743541 599698348 /nfs/dbraw/zinc/69/83/48/599698348.db2.gz LKGCPRAYUVAHQA-UHFFFAOYSA-N -1 3 395.471 0.950 20 30 GCEDHM N#CC(C(=O)CCNC(=O)[O-])c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000739073663 599798735 /nfs/dbraw/zinc/79/87/35/599798735.db2.gz DXTKJRQSBBTBPV-CQSZACIVSA-N -1 3 384.396 0.938 20 30 GCEDHM CC(C)Oc1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1-c1nnn[n-]1 ZINC000820155594 607436660 /nfs/dbraw/zinc/43/66/60/607436660.db2.gz SJVWLJVCTGADGV-GFCCVEGCSA-N -1 3 385.384 0.343 20 30 GCEDHM CC(C)Oc1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1-c1nn[n-]n1 ZINC000820155594 607436661 /nfs/dbraw/zinc/43/66/61/607436661.db2.gz SJVWLJVCTGADGV-GFCCVEGCSA-N -1 3 385.384 0.343 20 30 GCEDHM Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)n(CCC#N)n1 ZINC000826269226 607515806 /nfs/dbraw/zinc/51/58/06/607515806.db2.gz FNMKEHDCIMDYTL-UHFFFAOYSA-N -1 3 393.411 0.882 20 30 GCEDHM Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)n(CCC#N)n1 ZINC000826269226 607515807 /nfs/dbraw/zinc/51/58/07/607515807.db2.gz FNMKEHDCIMDYTL-UHFFFAOYSA-N -1 3 393.411 0.882 20 30 GCEDHM N#Cc1ccc(NCCNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)nc1 ZINC000826385188 607587252 /nfs/dbraw/zinc/58/72/52/607587252.db2.gz ATJTYUCTXNODAP-UHFFFAOYSA-N -1 3 388.388 0.663 20 30 GCEDHM N#Cc1ccc(C(=O)NC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)[nH]1 ZINC000826384341 607719675 /nfs/dbraw/zinc/71/96/75/607719675.db2.gz RIPZYYIZGCGBLR-CQSZACIVSA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1ccc(C(=O)NC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)[nH]1 ZINC000826384341 607719677 /nfs/dbraw/zinc/71/96/77/607719677.db2.gz RIPZYYIZGCGBLR-CQSZACIVSA-N -1 3 379.384 0.333 20 30 GCEDHM CC(C)C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824235297 607734696 /nfs/dbraw/zinc/73/46/96/607734696.db2.gz FEZLKOKCKJQHEH-GFCCVEGCSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824235297 607734697 /nfs/dbraw/zinc/73/46/97/607734697.db2.gz FEZLKOKCKJQHEH-GFCCVEGCSA-N -1 3 395.427 0.969 20 30 GCEDHM COC(=O)[C@@H]1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H](C(=O)[O-])C1 ZINC000833709155 605692806 /nfs/dbraw/zinc/69/28/06/605692806.db2.gz RBZCTFAATBFUAT-BFYDXBDKSA-N -1 3 376.409 0.831 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822969269 606019669 /nfs/dbraw/zinc/01/96/69/606019669.db2.gz KSDRNMTWUIADKB-ICFOKQHNSA-N -1 3 385.359 0.539 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822969269 606019672 /nfs/dbraw/zinc/01/96/72/606019672.db2.gz KSDRNMTWUIADKB-ICFOKQHNSA-N -1 3 385.359 0.539 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822968852 606021827 /nfs/dbraw/zinc/02/18/27/606021827.db2.gz CAOYZCVNQGPYPH-FBMGVBCBSA-N -1 3 397.395 0.278 20 30 GCEDHM C[C@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820328964 606025270 /nfs/dbraw/zinc/02/52/70/606025270.db2.gz SRFDZODJISZQEC-QHKYSRAXSA-N -1 3 381.396 0.960 20 30 GCEDHM C[C@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820328966 606025616 /nfs/dbraw/zinc/02/56/16/606025616.db2.gz SRFDZODJISZQEC-YFUPBZDXSA-N -1 3 381.396 0.960 20 30 GCEDHM C[C@@H](NC(=O)CCNC(=O)C1N=CC=CC1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820328962 606026163 /nfs/dbraw/zinc/02/61/63/606026163.db2.gz SRFDZODJISZQEC-DUUUWJQVSA-N -1 3 381.396 0.960 20 30 GCEDHM COCCN(CCC#N)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000821688965 606280732 /nfs/dbraw/zinc/28/07/32/606280732.db2.gz FVXCUAXUPVEZTE-UHFFFAOYSA-N -1 3 381.400 0.637 20 30 GCEDHM COCCN(CCC#N)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000821688965 606280734 /nfs/dbraw/zinc/28/07/34/606280734.db2.gz FVXCUAXUPVEZTE-UHFFFAOYSA-N -1 3 381.400 0.637 20 30 GCEDHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)cn1C)N(C)C(=O)c1cc(C#N)cn1C ZINC000820269333 606288134 /nfs/dbraw/zinc/28/81/34/606288134.db2.gz KCNUKKKQYGBUEL-LLVKDONJSA-N -1 3 395.427 0.306 20 30 GCEDHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)cn1C)N(C)C(=O)c1cc(C#N)cn1C ZINC000820269333 606288136 /nfs/dbraw/zinc/28/81/36/606288136.db2.gz KCNUKKKQYGBUEL-LLVKDONJSA-N -1 3 395.427 0.306 20 30 GCEDHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(C#N)c[nH]1 ZINC000820056312 606321023 /nfs/dbraw/zinc/32/10/23/606321023.db2.gz OXUSPMCVGUMMGH-ZDUSSCGKSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(C#N)c[nH]1 ZINC000820056312 606321021 /nfs/dbraw/zinc/32/10/21/606321021.db2.gz OXUSPMCVGUMMGH-ZDUSSCGKSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(C#N)c[nH]1 ZINC000820021399 606321324 /nfs/dbraw/zinc/32/13/24/606321324.db2.gz TUMZVVMTWIPYPR-CQSZACIVSA-N -1 3 381.400 0.579 20 30 GCEDHM CC(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(C#N)c[nH]1 ZINC000820021399 606321325 /nfs/dbraw/zinc/32/13/25/606321325.db2.gz TUMZVVMTWIPYPR-CQSZACIVSA-N -1 3 381.400 0.579 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)N(C)CCC(=O)OC ZINC000819745469 606478935 /nfs/dbraw/zinc/47/89/35/606478935.db2.gz FGAWXTJPZLSJGK-UHFFFAOYSA-N -1 3 394.457 0.594 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)N(C)CCC(=O)OC ZINC000819745469 606478937 /nfs/dbraw/zinc/47/89/37/606478937.db2.gz FGAWXTJPZLSJGK-UHFFFAOYSA-N -1 3 394.457 0.594 20 30 GCEDHM C=CCCCN(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000819739899 606604212 /nfs/dbraw/zinc/60/42/12/606604212.db2.gz KGSXKZMSUZDZSQ-UHFFFAOYSA-N -1 3 395.427 0.870 20 30 GCEDHM C=CCCCN(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000819739899 606604214 /nfs/dbraw/zinc/60/42/14/606604214.db2.gz KGSXKZMSUZDZSQ-UHFFFAOYSA-N -1 3 395.427 0.870 20 30 GCEDHM C[C@@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820313377 606658605 /nfs/dbraw/zinc/65/86/05/606658605.db2.gz DNVYJRYGEGPHRA-LLVKDONJSA-N -1 3 379.384 0.793 20 30 GCEDHM C[C@@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820313377 606658606 /nfs/dbraw/zinc/65/86/06/606658606.db2.gz DNVYJRYGEGPHRA-LLVKDONJSA-N -1 3 379.384 0.793 20 30 GCEDHM N#CCN1CCC(NC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)CC1 ZINC000822811049 606738553 /nfs/dbraw/zinc/73/85/53/606738553.db2.gz RTIFKWHLCQAWGN-UHFFFAOYSA-N -1 3 388.819 0.563 20 30 GCEDHM N#CCN1CCC(NC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)CC1 ZINC000822811049 606738555 /nfs/dbraw/zinc/73/85/55/606738555.db2.gz RTIFKWHLCQAWGN-UHFFFAOYSA-N -1 3 388.819 0.563 20 30 GCEDHM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820804783 606821814 /nfs/dbraw/zinc/82/18/14/606821814.db2.gz ZHNSAYTTWBDIJG-NSHDSACASA-N -1 3 378.400 0.218 20 30 GCEDHM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820804783 606821815 /nfs/dbraw/zinc/82/18/15/606821815.db2.gz ZHNSAYTTWBDIJG-NSHDSACASA-N -1 3 378.400 0.218 20 30 GCEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820803937 606823736 /nfs/dbraw/zinc/82/37/36/606823736.db2.gz JXQDYRRWGRKRFD-CYBMUJFWSA-N -1 3 389.423 0.808 20 30 GCEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820803937 606823738 /nfs/dbraw/zinc/82/37/38/606823738.db2.gz JXQDYRRWGRKRFD-CYBMUJFWSA-N -1 3 389.423 0.808 20 30 GCEDHM C=C(C)CN(CC)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819722416 606993025 /nfs/dbraw/zinc/99/30/25/606993025.db2.gz ISUOZXSKTPXRPY-LBPRGKRZSA-N -1 3 378.458 0.958 20 30 GCEDHM C=C(C)CN(CC)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819722416 606993026 /nfs/dbraw/zinc/99/30/26/606993026.db2.gz ISUOZXSKTPXRPY-LBPRGKRZSA-N -1 3 378.458 0.958 20 30 GCEDHM CCN(C[C@H](C)C#N)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821170034 606998255 /nfs/dbraw/zinc/99/82/55/606998255.db2.gz LOHJQSRWTGYVHU-VXGBXAGGSA-N -1 3 391.457 0.542 20 30 GCEDHM CCN(C[C@H](C)C#N)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821170034 606998256 /nfs/dbraw/zinc/99/82/56/606998256.db2.gz LOHJQSRWTGYVHU-VXGBXAGGSA-N -1 3 391.457 0.542 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)C1(C#N)CCC1 ZINC000820438349 607000074 /nfs/dbraw/zinc/00/00/74/607000074.db2.gz NLLAMWHUNWRTKX-NSHDSACASA-N -1 3 389.441 0.438 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C1(C#N)CCC1 ZINC000820438349 607000076 /nfs/dbraw/zinc/00/00/76/607000076.db2.gz NLLAMWHUNWRTKX-NSHDSACASA-N -1 3 389.441 0.438 20 30 GCEDHM C[C@@H](C#N)CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819844478 607000381 /nfs/dbraw/zinc/00/03/81/607000381.db2.gz IRHWGGDPYMITML-WDEREUQCSA-N -1 3 377.430 0.152 20 30 GCEDHM C[C@@H](C#N)CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819844478 607000383 /nfs/dbraw/zinc/00/03/83/607000383.db2.gz IRHWGGDPYMITML-WDEREUQCSA-N -1 3 377.430 0.152 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(CC#N)C1CC1 ZINC000820444236 607002033 /nfs/dbraw/zinc/00/20/33/607002033.db2.gz HXRYKTGXSKQYLY-JTQLQIEISA-N -1 3 375.414 0.048 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(CC#N)C1CC1 ZINC000820444236 607002035 /nfs/dbraw/zinc/00/20/35/607002035.db2.gz HXRYKTGXSKQYLY-JTQLQIEISA-N -1 3 375.414 0.048 20 30 GCEDHM C=CCSCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819759170 607010275 /nfs/dbraw/zinc/01/02/75/607010275.db2.gz PKLJQLRANZOAKR-LLVKDONJSA-N -1 3 396.498 0.569 20 30 GCEDHM C=CCSCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819759170 607010277 /nfs/dbraw/zinc/01/02/77/607010277.db2.gz PKLJQLRANZOAKR-LLVKDONJSA-N -1 3 396.498 0.569 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC(C#N)CC1 ZINC000820438173 607016712 /nfs/dbraw/zinc/01/67/12/607016712.db2.gz JRTWCQNGKNTRPI-NSHDSACASA-N -1 3 389.441 0.296 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(C#N)CC1 ZINC000820438173 607016713 /nfs/dbraw/zinc/01/67/13/607016713.db2.gz JRTWCQNGKNTRPI-NSHDSACASA-N -1 3 389.441 0.296 20 30 GCEDHM CC(C)C[C@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820050560 607019598 /nfs/dbraw/zinc/01/95/98/607019598.db2.gz BUCOPGSUPQSEFV-DGCLKSJQSA-N -1 3 391.457 0.588 20 30 GCEDHM CC(C)C[C@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820050560 607019600 /nfs/dbraw/zinc/01/96/00/607019600.db2.gz BUCOPGSUPQSEFV-DGCLKSJQSA-N -1 3 391.457 0.588 20 30 GCEDHM CC(C)C[C@@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820050566 607019924 /nfs/dbraw/zinc/01/99/24/607019924.db2.gz BUCOPGSUPQSEFV-YPMHNXCESA-N -1 3 391.457 0.588 20 30 GCEDHM CC(C)C[C@@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820050566 607019925 /nfs/dbraw/zinc/01/99/25/607019925.db2.gz BUCOPGSUPQSEFV-YPMHNXCESA-N -1 3 391.457 0.588 20 30 GCEDHM C=C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819730254 607022054 /nfs/dbraw/zinc/02/20/54/607022054.db2.gz UEKIESBEZAKUTR-LBPRGKRZSA-N -1 3 376.442 0.712 20 30 GCEDHM C=C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819730254 607022055 /nfs/dbraw/zinc/02/20/55/607022055.db2.gz UEKIESBEZAKUTR-LBPRGKRZSA-N -1 3 376.442 0.712 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCCC#N ZINC000820444315 607022498 /nfs/dbraw/zinc/02/24/98/607022498.db2.gz IKFIERHMZOQGQC-NSHDSACASA-N -1 3 377.430 0.344 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCCC#N ZINC000820444315 607022499 /nfs/dbraw/zinc/02/24/99/607022499.db2.gz IKFIERHMZOQGQC-NSHDSACASA-N -1 3 377.430 0.344 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C#N)C(C)(C)C ZINC000820444601 607054151 /nfs/dbraw/zinc/05/41/51/607054151.db2.gz KYWWPKRQWXPSBB-GWCFXTLKSA-N -1 3 391.457 0.588 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C#N)C(C)(C)C ZINC000820444601 607054153 /nfs/dbraw/zinc/05/41/53/607054153.db2.gz KYWWPKRQWXPSBB-GWCFXTLKSA-N -1 3 391.457 0.588 20 30 GCEDHM C#CCCCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819693695 607061555 /nfs/dbraw/zinc/06/15/55/607061555.db2.gz VJDJBERZLRBAMU-LBPRGKRZSA-N -1 3 376.442 0.453 20 30 GCEDHM C#CCCCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819693695 607061558 /nfs/dbraw/zinc/06/15/58/607061558.db2.gz VJDJBERZLRBAMU-LBPRGKRZSA-N -1 3 376.442 0.453 20 30 GCEDHM C#CCCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819692723 607061621 /nfs/dbraw/zinc/06/16/21/607061621.db2.gz IHERLDPBEJQGQH-LBPRGKRZSA-N -1 3 376.442 0.453 20 30 GCEDHM C#CCCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819692723 607061623 /nfs/dbraw/zinc/06/16/23/607061623.db2.gz IHERLDPBEJQGQH-LBPRGKRZSA-N -1 3 376.442 0.453 20 30 GCEDHM CC(C)[C@@H](C#N)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820451534 607082519 /nfs/dbraw/zinc/08/25/19/607082519.db2.gz VQODZWXJOFGXGR-GXFFZTMASA-N -1 3 378.414 0.625 20 30 GCEDHM CC(C)[C@@H](C#N)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820451534 607082521 /nfs/dbraw/zinc/08/25/21/607082521.db2.gz VQODZWXJOFGXGR-GXFFZTMASA-N -1 3 378.414 0.625 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCCCCC#N ZINC000820444085 607089761 /nfs/dbraw/zinc/08/97/61/607089761.db2.gz FQMXJPOJKGFRID-LLVKDONJSA-N -1 3 378.414 0.771 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCCC#N ZINC000820444085 607089763 /nfs/dbraw/zinc/08/97/63/607089763.db2.gz FQMXJPOJKGFRID-LLVKDONJSA-N -1 3 378.414 0.771 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000819743634 607144567 /nfs/dbraw/zinc/14/45/67/607144567.db2.gz MXVNFMFKOHGHAH-LSDHHAIUSA-N -1 3 385.428 0.597 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000819743634 607144569 /nfs/dbraw/zinc/14/45/69/607144569.db2.gz MXVNFMFKOHGHAH-LSDHHAIUSA-N -1 3 385.428 0.597 20 30 GCEDHM S=C(NCCN1CCOCC1)NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000823733015 607146594 /nfs/dbraw/zinc/14/65/94/607146594.db2.gz RMSGDLKNIJNVFO-UHFFFAOYSA-N -1 3 399.484 0.478 20 30 GCEDHM S=C(NCCN1CCOCC1)NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000823733015 607146596 /nfs/dbraw/zinc/14/65/96/607146596.db2.gz RMSGDLKNIJNVFO-UHFFFAOYSA-N -1 3 399.484 0.478 20 30 GCEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)S(=O)(=O)C1CCOCC1 ZINC000819867954 607238076 /nfs/dbraw/zinc/23/80/76/607238076.db2.gz VUTWUMCBASTNPK-JTQLQIEISA-N -1 3 390.425 0.659 20 30 GCEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)S(=O)(=O)C1CCOCC1 ZINC000819867954 607238077 /nfs/dbraw/zinc/23/80/77/607238077.db2.gz VUTWUMCBASTNPK-JTQLQIEISA-N -1 3 390.425 0.659 20 30 GCEDHM Cc1nn(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c(=O)c(C#N)c1C ZINC000826334994 607814960 /nfs/dbraw/zinc/81/49/60/607814960.db2.gz SOTXVPZYDAZZGL-UHFFFAOYSA-N -1 3 385.409 0.386 20 30 GCEDHM Cc1nn(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(=O)c(C#N)c1C ZINC000826334994 607814961 /nfs/dbraw/zinc/81/49/61/607814961.db2.gz SOTXVPZYDAZZGL-UHFFFAOYSA-N -1 3 385.409 0.386 20 30 GCEDHM C#CCNC(=S)NCCCc1nn(-c2ccccc2)c(N)c1-c1nnn[n-]1 ZINC000823851097 607966085 /nfs/dbraw/zinc/96/60/85/607966085.db2.gz ZISAPIKZEWWVJD-UHFFFAOYSA-N -1 3 381.469 0.665 20 30 GCEDHM C#CCNC(=S)NCCCc1nn(-c2ccccc2)c(N)c1-c1nn[n-]n1 ZINC000823851097 607966086 /nfs/dbraw/zinc/96/60/86/607966086.db2.gz ZISAPIKZEWWVJD-UHFFFAOYSA-N -1 3 381.469 0.665 20 30 GCEDHM C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823898820 608250042 /nfs/dbraw/zinc/25/00/42/608250042.db2.gz CNLHNQICNAAFLK-NSHDSACASA-N -1 3 376.442 0.711 20 30 GCEDHM C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823898820 608250043 /nfs/dbraw/zinc/25/00/43/608250043.db2.gz CNLHNQICNAAFLK-NSHDSACASA-N -1 3 376.442 0.711 20 30 GCEDHM C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000823888332 608469688 /nfs/dbraw/zinc/46/96/88/608469688.db2.gz JBWUSWHESNRAEN-GFCCVEGCSA-N -1 3 388.428 0.893 20 30 GCEDHM C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000823888332 608469690 /nfs/dbraw/zinc/46/96/90/608469690.db2.gz JBWUSWHESNRAEN-GFCCVEGCSA-N -1 3 388.428 0.893 20 30 GCEDHM C=CC[C@H](CO)CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823888668 608527248 /nfs/dbraw/zinc/52/72/48/608527248.db2.gz SVTALYRWUACOOU-ZDUSSCGKSA-N -1 3 386.460 0.714 20 30 GCEDHM C=CC[C@H](CO)CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823888668 608527249 /nfs/dbraw/zinc/52/72/49/608527249.db2.gz SVTALYRWUACOOU-ZDUSSCGKSA-N -1 3 386.460 0.714 20 30 GCEDHM N#Cc1nc(N)n(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826387839 609175339 /nfs/dbraw/zinc/17/53/39/609175339.db2.gz ULLZYCVQOUYMOP-GFCCVEGCSA-N -1 3 392.427 0.160 20 30 GCEDHM N#Cc1nc(N)n(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826387839 609175341 /nfs/dbraw/zinc/17/53/41/609175341.db2.gz ULLZYCVQOUYMOP-GFCCVEGCSA-N -1 3 392.427 0.160 20 30 GCEDHM N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)[nH]1 ZINC000826384530 609179336 /nfs/dbraw/zinc/17/93/36/609179336.db2.gz YVKQTHSTJILUCK-OAHLLOKOSA-N -1 3 376.380 0.992 20 30 GCEDHM N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)[nH]1 ZINC000826384530 609179337 /nfs/dbraw/zinc/17/93/37/609179337.db2.gz YVKQTHSTJILUCK-OAHLLOKOSA-N -1 3 376.380 0.992 20 30 GCEDHM N#Cc1ccc([C@@H](O)C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cc1 ZINC000826384652 609190695 /nfs/dbraw/zinc/19/06/95/609190695.db2.gz DJWIGEXISUKCRT-QGZVFWFLSA-N -1 3 390.407 0.516 20 30 GCEDHM N#Cc1ccc([C@@H](O)C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cc1 ZINC000826384652 609190696 /nfs/dbraw/zinc/19/06/96/609190696.db2.gz DJWIGEXISUKCRT-QGZVFWFLSA-N -1 3 390.407 0.516 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000823909631 609194181 /nfs/dbraw/zinc/19/41/81/609194181.db2.gz LIYLPXOSRAFCBZ-UHFFFAOYSA-N -1 3 395.427 0.717 20 30 GCEDHM N#Cc1ccc([C@H](O)C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000826384803 609209699 /nfs/dbraw/zinc/20/96/99/609209699.db2.gz KIXOUABWLCSJNO-KRWDZBQOSA-N -1 3 390.407 0.516 20 30 GCEDHM N#Cc1ccc([C@H](O)C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000826384803 609209700 /nfs/dbraw/zinc/20/97/00/609209700.db2.gz KIXOUABWLCSJNO-KRWDZBQOSA-N -1 3 390.407 0.516 20 30 GCEDHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000824974743 609220892 /nfs/dbraw/zinc/22/08/92/609220892.db2.gz FCUDHVLOGNUJOQ-JTQLQIEISA-N -1 3 379.384 0.381 20 30 GCEDHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000824974743 609220894 /nfs/dbraw/zinc/22/08/94/609220894.db2.gz FCUDHVLOGNUJOQ-JTQLQIEISA-N -1 3 379.384 0.381 20 30 GCEDHM C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823919453 609252483 /nfs/dbraw/zinc/25/24/83/609252483.db2.gz GDCMENZMGXHXKF-UHFFFAOYSA-N -1 3 397.317 0.242 20 30 GCEDHM C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823919453 609252484 /nfs/dbraw/zinc/25/24/84/609252484.db2.gz GDCMENZMGXHXKF-UHFFFAOYSA-N -1 3 397.317 0.242 20 30 GCEDHM CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000825938701 609304800 /nfs/dbraw/zinc/30/48/00/609304800.db2.gz WRQRWPVZCVULJF-UHFFFAOYSA-N -1 3 398.406 0.957 20 30 GCEDHM CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000825938701 609304801 /nfs/dbraw/zinc/30/48/01/609304801.db2.gz WRQRWPVZCVULJF-UHFFFAOYSA-N -1 3 398.406 0.957 20 30 GCEDHM CCC[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825242117 609452116 /nfs/dbraw/zinc/45/21/16/609452116.db2.gz INDVUQHJMOLGDL-LBPRGKRZSA-N -1 3 381.400 0.723 20 30 GCEDHM CCC[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825242117 609452118 /nfs/dbraw/zinc/45/21/18/609452118.db2.gz INDVUQHJMOLGDL-LBPRGKRZSA-N -1 3 381.400 0.723 20 30 GCEDHM CC(C)[C@](C)(CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824191884 609460069 /nfs/dbraw/zinc/46/00/69/609460069.db2.gz HRDDNVGLQCNCSV-SFHVURJKSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)[C@](C)(CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824191884 609460070 /nfs/dbraw/zinc/46/00/70/609460070.db2.gz HRDDNVGLQCNCSV-SFHVURJKSA-N -1 3 395.427 0.969 20 30 GCEDHM C=CCCS(=O)(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823899501 609584007 /nfs/dbraw/zinc/58/40/07/609584007.db2.gz XGFUHLFBUKYATP-CQSZACIVSA-N -1 3 376.442 0.858 20 30 GCEDHM C#CCNC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000823850336 609626385 /nfs/dbraw/zinc/62/63/85/609626385.db2.gz NROZWTPUKKNWKO-LBPRGKRZSA-N -1 3 379.380 0.656 20 30 GCEDHM C#CCNC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000823850336 609626387 /nfs/dbraw/zinc/62/63/87/609626387.db2.gz NROZWTPUKKNWKO-LBPRGKRZSA-N -1 3 379.380 0.656 20 30 GCEDHM N#Cc1ccc([C@@H](O)C(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826384920 609633897 /nfs/dbraw/zinc/63/38/97/609633897.db2.gz PBOBBRUDHJQSLM-MRXNPFEDSA-N -1 3 378.348 0.954 20 30 GCEDHM N#Cc1ccc([C@@H](O)C(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826384920 609633898 /nfs/dbraw/zinc/63/38/98/609633898.db2.gz PBOBBRUDHJQSLM-MRXNPFEDSA-N -1 3 378.348 0.954 20 30 GCEDHM COc1cc(C=c2sc(=C(C#N)C#N)n(C)c2=O)cc(Br)c1[O-] ZINC000255887828 638583945 /nfs/dbraw/zinc/58/39/45/638583945.db2.gz JQDYVOAINKAPKY-UHFFFAOYSA-N -1 3 392.234 0.950 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCCS(C)(=O)=O)ccc1F ZINC000728621014 639091262 /nfs/dbraw/zinc/09/12/62/639091262.db2.gz QKGQGGSVUXBAJZ-UHFFFAOYSA-N -1 3 379.431 0.882 20 30 GCEDHM C#CCN1CCC[C@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000923586636 640144226 /nfs/dbraw/zinc/14/42/26/640144226.db2.gz YFZSNVJDAXOQLS-NSHDSACASA-N -1 3 375.903 0.894 20 30 GCEDHM CCS(=O)(=O)CCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742627914 640247747 /nfs/dbraw/zinc/24/77/47/640247747.db2.gz MCKDKVXFAACYEW-LLVKDONJSA-N -1 3 387.483 0.055 20 30 GCEDHM C=CCNC(=O)COC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000750225944 640359589 /nfs/dbraw/zinc/35/95/89/640359589.db2.gz RKZHSHJOQIRPMQ-UHFFFAOYSA-N -1 3 397.272 0.634 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C)S(C)(=O)=O)ccc1F ZINC000754235474 640449574 /nfs/dbraw/zinc/44/95/74/640449574.db2.gz GDCIPJCGFRZKRA-SNVBAGLBSA-N -1 3 378.447 0.453 20 30 GCEDHM C=CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000769710030 640782299 /nfs/dbraw/zinc/78/22/99/640782299.db2.gz GSQAQALPKAOOGF-GFCCVEGCSA-N -1 3 388.467 0.579 20 30 GCEDHM C#C[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)[C@@H]1CCCO1 ZINC000773058867 640854735 /nfs/dbraw/zinc/85/47/35/640854735.db2.gz VMBIIHITIJELDW-OCCSQVGLSA-N -1 3 376.431 0.656 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000783539218 641270276 /nfs/dbraw/zinc/27/02/76/641270276.db2.gz KUXBLTVQXZBAFA-UHFFFAOYSA-N -1 3 392.474 0.843 20 30 GCEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)C(=O)OC ZINC000795401034 641517841 /nfs/dbraw/zinc/51/78/41/641517841.db2.gz IBAXVAOFXMCFIP-LBPRGKRZSA-N -1 3 375.374 0.635 20 30 GCEDHM CC(C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)S(=O)(=O)C1CCOCC1 ZINC000796746078 641547514 /nfs/dbraw/zinc/54/75/14/641547514.db2.gz PYBBOYUPRSVRQE-NSHDSACASA-N -1 3 386.451 0.345 20 30 GCEDHM CC(C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)S(=O)(=O)C1CCOCC1 ZINC000796746055 641547663 /nfs/dbraw/zinc/54/76/63/641547663.db2.gz PYBBOYUPRSVRQE-LLVKDONJSA-N -1 3 386.451 0.345 20 30 GCEDHM C#CCC[C@@H](O)C[N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC ZINC000798486342 641587509 /nfs/dbraw/zinc/58/75/09/641587509.db2.gz PXAZGXGIDXCVCP-SECBINFHSA-N -1 3 375.424 0.374 20 30 GCEDHM C#CCC[C@H](O)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC ZINC000798485762 641587582 /nfs/dbraw/zinc/58/75/82/641587582.db2.gz JQBKBMPIFOBGLR-ZDUSSCGKSA-N -1 3 390.483 0.509 20 30 GCEDHM C#CCC[C@H](O)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000799665737 641609268 /nfs/dbraw/zinc/60/92/68/641609268.db2.gz HTDSYJJHQNDBBQ-LBPRGKRZSA-N -1 3 391.852 0.831 20 30 GCEDHM N#Cc1cnn(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)c1N ZINC000810203343 641724684 /nfs/dbraw/zinc/72/46/84/641724684.db2.gz JXJGQEFMAJRVPE-UHFFFAOYSA-N -1 3 390.244 0.780 20 30 GCEDHM C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C1 ZINC000885511423 641806961 /nfs/dbraw/zinc/80/69/61/641806961.db2.gz IAMFNPWOAONMRF-GFCCVEGCSA-N -1 3 389.474 0.573 20 30 GCEDHM COc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)nc1I ZINC000816759544 641864632 /nfs/dbraw/zinc/86/46/32/641864632.db2.gz OWPYRDDAVNNMIT-MRVPVSSYSA-N -1 3 391.165 0.805 20 30 GCEDHM CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CCCN([O-])C2=O)ccc1Cl ZINC000820471173 641960868 /nfs/dbraw/zinc/96/08/68/641960868.db2.gz OXDDYEZNUUXNCP-NSHDSACASA-N -1 3 375.834 0.700 20 30 GCEDHM CN(CC(=O)N[C@H]1CCCN([O-])C1=O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000820482797 641961572 /nfs/dbraw/zinc/96/15/72/641961572.db2.gz RRAIUYQNMWTZKR-LBPRGKRZSA-N -1 3 375.834 0.457 20 30 GCEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1cnn(C)c1Br)C(=O)OC ZINC000867221164 642266862 /nfs/dbraw/zinc/26/68/62/642266862.db2.gz WUMDEXZINAIFIK-MRVPVSSYSA-N -1 3 382.236 0.205 20 30 GCEDHM COC(=O)c1cnc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)s1 ZINC000843576099 642376516 /nfs/dbraw/zinc/37/65/16/642376516.db2.gz WLAXLQIZXLSNCX-UHFFFAOYSA-N -1 3 380.407 0.607 20 30 GCEDHM C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1F ZINC000845908429 642458366 /nfs/dbraw/zinc/45/83/66/642458366.db2.gz XEFGJAXJGGKYFS-UHFFFAOYSA-N -1 3 379.431 0.882 20 30 GCEDHM O=C(CS(=O)(=O)c1cccc(Br)c1)N[C@H]1CCCN([O-])C1=O ZINC000848137241 642528630 /nfs/dbraw/zinc/52/86/30/642528630.db2.gz BJZMPFYXVCAKQY-NSHDSACASA-N -1 3 391.243 0.719 20 30 GCEDHM O=C(CCNS(=O)(=O)c1ccccc1Cl)N[C@H]1CCCN([O-])C1=O ZINC000848137225 642528650 /nfs/dbraw/zinc/52/86/50/642528650.db2.gz BBWGJZHTRYOIGC-NSHDSACASA-N -1 3 375.834 0.505 20 30 GCEDHM C#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1n[nH]cc1Br ZINC000848961801 642587178 /nfs/dbraw/zinc/58/71/78/642587178.db2.gz OQEQISSYJWMVBR-UHFFFAOYSA-N -1 3 399.292 0.199 20 30 GCEDHM C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000848964520 642599616 /nfs/dbraw/zinc/59/96/16/642599616.db2.gz ALIIEKWCLHEODM-MRVPVSSYSA-N -1 3 388.393 0.501 20 30 GCEDHM C#CCN(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccc2c(n1)CCC2 ZINC000848969034 642617454 /nfs/dbraw/zinc/61/74/54/642617454.db2.gz TVKVLOMCFUEHBD-UHFFFAOYSA-N -1 3 385.511 0.987 20 30 GCEDHM C#CCOCCOC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000853895717 642809632 /nfs/dbraw/zinc/80/96/32/642809632.db2.gz NQNNKTBDEVGQCP-UHFFFAOYSA-N -1 3 382.257 0.982 20 30 GCEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(Br)cc1-n1cnnn1 ZINC000857721313 642946812 /nfs/dbraw/zinc/94/68/12/642946812.db2.gz HEPDHDHTEVGLCN-SNVBAGLBSA-N -1 3 381.190 0.535 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000278980470 1192427311 /nfs/dbraw/zinc/42/73/11/1192427311.db2.gz CSXNJMDUAMNQOO-UHFFFAOYSA-N -1 3 399.473 0.471 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000278980470 1192427314 /nfs/dbraw/zinc/42/73/14/1192427314.db2.gz CSXNJMDUAMNQOO-UHFFFAOYSA-N -1 3 399.473 0.471 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC(=O)N(CC3CC3)C2)ccc1F ZINC000279521710 1192550872 /nfs/dbraw/zinc/55/08/72/1192550872.db2.gz QUWJSUZTEIUOJF-UHFFFAOYSA-N -1 3 381.429 0.942 20 30 GCEDHM C#CCOCCNC(=O)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000785156638 1186716160 /nfs/dbraw/zinc/71/61/60/1186716160.db2.gz SJLNDSLNVXAMAN-UHFFFAOYSA-N -1 3 383.426 0.161 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2(N3CCOCC3)CC2)ccc1F ZINC000278017741 1186747572 /nfs/dbraw/zinc/74/75/72/1186747572.db2.gz SSWVQECVRATSDB-UHFFFAOYSA-N -1 3 397.472 0.885 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2c2ncon2)ccc1F ZINC000375781217 1187162475 /nfs/dbraw/zinc/16/24/75/1187162475.db2.gz VCWMTSGKQAUOBX-ZDUSSCGKSA-N -1 3 396.400 0.887 20 30 GCEDHM COC(=O)[C@H]1CCCCCN1C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000378559905 1189535690 /nfs/dbraw/zinc/53/56/90/1189535690.db2.gz ADXZIABFXKQGNN-CYBMUJFWSA-N -1 3 379.438 0.669 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000196446054 1189866153 /nfs/dbraw/zinc/86/61/53/1189866153.db2.gz DCWXHWPSLMPSQY-UHFFFAOYSA-N -1 3 387.484 0.465 20 30 GCEDHM N#Cc1cc(F)c(S(=O)(=O)[N-]CCCN2CCC[C@@H](C(N)=O)C2)c(F)c1 ZINC000124962607 1189936604 /nfs/dbraw/zinc/93/66/04/1189936604.db2.gz LMAUJZBZNLULNV-GFCCVEGCSA-N -1 3 386.424 0.702 20 30 GCEDHM CNS(=O)(=O)c1cccc(NC(=O)C/N=C\c2c([O-])c(C)ncc2CO)c1 ZINC000729149985 1193906575 /nfs/dbraw/zinc/90/65/75/1193906575.db2.gz PKCFSSWIRRRZHP-UWVJOHFNSA-N -1 3 392.437 0.554 20 30 GCEDHM CCN(CCC#N)S(=O)(=O)NC[C@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000420774487 1194261998 /nfs/dbraw/zinc/26/19/98/1194261998.db2.gz YHGBPFONIJGJER-ZDUSSCGKSA-N -1 3 387.433 0.933 20 30 GCEDHM CS(=O)(=O)[N-]c1cncc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 ZINC000502278731 1194291170 /nfs/dbraw/zinc/29/11/70/1194291170.db2.gz IXBKXSLCFJUOOY-UHFFFAOYSA-N -1 3 386.437 0.682 20 30 GCEDHM COC(=O)[C@H](CNC(=O)CNc1ccc(C#N)cn1)Cc1ccc([O-])c(F)c1 ZINC000422038772 1194378595 /nfs/dbraw/zinc/37/85/95/1194378595.db2.gz LXDBLZWHZYTPRN-AWEZNQCLSA-N -1 3 386.383 1.358 20 30 GCEDHM CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)C1=O ZINC000280765816 1194853534 /nfs/dbraw/zinc/85/35/34/1194853534.db2.gz MGQVXXSMZVQFSD-INIZCTEOSA-N -1 3 380.405 0.786 20 30 GCEDHM C=CCn1cc(C[N-]S(=O)(=O)c2ccc(OC)c(C(=O)OC)c2OC)nn1 ZINC000425176799 1194866679 /nfs/dbraw/zinc/86/66/79/1194866679.db2.gz CCPPWXWGLFDDFL-UHFFFAOYSA-N -1 3 396.425 0.746 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)CCO1 ZINC000436498901 1195011369 /nfs/dbraw/zinc/01/13/69/1195011369.db2.gz XVSXGAWOBFBUCE-AWEZNQCLSA-N -1 3 394.453 0.056 20 30 GCEDHM COCCN(CCC#N)S(=O)(=O)[N-][C@H](C(=O)OC)[C@H]1CCC[C@@H](OC)C1 ZINC000516575320 1195070113 /nfs/dbraw/zinc/07/01/13/1195070113.db2.gz LVLSWWGDVCRBHJ-ZNMIVQPWSA-N -1 3 391.490 0.430 20 30 GCEDHM C#CCN1C(=O)COCC12CN(C(=O)Cc1ccc([O-])c(Br)c1)C2 ZINC001270466587 1195300723 /nfs/dbraw/zinc/30/07/23/1195300723.db2.gz FFACPLKGAUMLMP-UHFFFAOYSA-N -1 3 393.237 0.770 20 30 GCEDHM CN(CCC#N)C(=O)CCN1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439280904 1195303539 /nfs/dbraw/zinc/30/35/39/1195303539.db2.gz WBZUCXNXIURYLM-UHFFFAOYSA-N -1 3 399.439 0.199 20 30 GCEDHM Cc1cc(C(C#N)=C([O-])c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)nc(C)n1 ZINC000439555669 1195330320 /nfs/dbraw/zinc/33/03/20/1195330320.db2.gz GCFBAYIXRHSMHF-LBPRGKRZSA-N -1 3 378.392 0.838 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCNS(C)(=O)=O)C1CC1 ZINC000550131486 1195443427 /nfs/dbraw/zinc/44/34/27/1195443427.db2.gz AMRVFJRUODBILT-UHFFFAOYSA-N -1 3 380.470 0.749 20 30 GCEDHM CS(=O)(=O)[N-]c1cncc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000546196404 1195467278 /nfs/dbraw/zinc/46/72/78/1195467278.db2.gz FQADONPSMUUNIZ-UHFFFAOYSA-N -1 3 386.437 0.682 20 30 GCEDHM CN(CCCNC(=O)C1CCC1)C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000760030607 1195604972 /nfs/dbraw/zinc/60/49/72/1195604972.db2.gz CTYXFRLNGRCWOI-UHFFFAOYSA-N -1 3 392.481 0.490 20 30 GCEDHM Cc1onc(CC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)c1C#N ZINC000442959787 1196013096 /nfs/dbraw/zinc/01/30/96/1196013096.db2.gz ATQHBSVHMRXFQU-UHFFFAOYSA-N -1 3 384.364 0.770 20 30 GCEDHM N#Cc1ccc(NCC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)nc1 ZINC000442959587 1196013229 /nfs/dbraw/zinc/01/32/29/1196013229.db2.gz AMISWHYPGZYHOL-UHFFFAOYSA-N -1 3 395.391 0.738 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)c2nncn2C)ccc1F ZINC000280857457 1196064434 /nfs/dbraw/zinc/06/44/34/1196064434.db2.gz RWWIAYKLZPWTMS-NSHDSACASA-N -1 3 381.433 0.952 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C)c2nncn2C)ccc1F ZINC000280857454 1196064584 /nfs/dbraw/zinc/06/45/84/1196064584.db2.gz RWWIAYKLZPWTMS-LLVKDONJSA-N -1 3 381.433 0.952 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](CO)[C@H]2CCOC2)ccc1F ZINC000281808536 1196334942 /nfs/dbraw/zinc/33/49/42/1196334942.db2.gz NHPTWIQGXFBDPU-UONOGXRCSA-N -1 3 386.445 0.665 20 30 GCEDHM COCCN(CCC#N)S(=O)(=O)[N-][C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000281840169 1196339947 /nfs/dbraw/zinc/33/99/47/1196339947.db2.gz WTQWPIUHGLGZFQ-NSHDSACASA-N -1 3 398.449 0.248 20 30 GCEDHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)n[n-]1 ZINC000444906933 1196530162 /nfs/dbraw/zinc/53/01/62/1196530162.db2.gz YCMLYMXZYUPRLY-UHFFFAOYSA-N -1 3 386.416 1.503 20 30 GCEDHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)[n-]1 ZINC000444906933 1196530164 /nfs/dbraw/zinc/53/01/64/1196530164.db2.gz YCMLYMXZYUPRLY-UHFFFAOYSA-N -1 3 386.416 1.503 20 30 GCEDHM Cc1ncc(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(=O)[n-]1 ZINC000487521434 1196640439 /nfs/dbraw/zinc/64/04/39/1196640439.db2.gz VTJZLRQKNPFGBA-MRXNPFEDSA-N -1 3 380.408 0.963 20 30 GCEDHM Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)NCc1ccc(C(=O)NO)cc1 ZINC000671998486 1198992940 /nfs/dbraw/zinc/99/29/40/1198992940.db2.gz NIIGCFKVCNSPOD-UHFFFAOYSA-N -1 3 396.425 0.395 20 30 GCEDHM CCC[C@@H]1C(=O)NCCN1C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000766011554 1199910591 /nfs/dbraw/zinc/91/05/91/1199910591.db2.gz FIHYMAWMUGBHPO-TZMCWYRMSA-N -1 3 392.481 0.631 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)ccc1F ZINC000766048789 1200080670 /nfs/dbraw/zinc/08/06/70/1200080670.db2.gz XBGPLSPTXOLWDX-CYBMUJFWSA-N -1 3 381.429 0.737 20 30 GCEDHM CCOC(=O)c1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[n-]n1 ZINC000543762436 1200937072 /nfs/dbraw/zinc/93/70/72/1200937072.db2.gz UEWBHQFWZLZACK-SNVBAGLBSA-N -1 3 391.409 0.764 20 30 GCEDHM CCOC(=O)c1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n[n-]1 ZINC000543762436 1200937078 /nfs/dbraw/zinc/93/70/78/1200937078.db2.gz UEWBHQFWZLZACK-SNVBAGLBSA-N -1 3 391.409 0.764 20 30 GCEDHM CN(Cc1cc(=O)[n-]c(N)n1)[C@@H]1CCN(C(=O)Cc2c(F)cccc2C#N)C1 ZINC000552466196 1201109852 /nfs/dbraw/zinc/10/98/52/1201109852.db2.gz WDVZPFJQLGICRL-CQSZACIVSA-N -1 3 384.415 1.051 20 30 GCEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCn1cncn1 ZINC000727050678 1201332464 /nfs/dbraw/zinc/33/24/64/1201332464.db2.gz WRARDTGELFOWQO-CQSZACIVSA-N -1 3 391.453 0.975 20 30 GCEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC(=O)NCC#N ZINC000731237352 1201477165 /nfs/dbraw/zinc/47/71/65/1201477165.db2.gz GCKAAGPAWSVBQZ-ZDUSSCGKSA-N -1 3 392.437 0.467 20 30 GCEDHM C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000731853711 1201505179 /nfs/dbraw/zinc/50/51/79/1201505179.db2.gz OHMAULRAEJNZEL-UHFFFAOYSA-N -1 3 396.432 0.708 20 30 GCEDHM C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000731853711 1201505185 /nfs/dbraw/zinc/50/51/85/1201505185.db2.gz OHMAULRAEJNZEL-UHFFFAOYSA-N -1 3 396.432 0.708 20 30 GCEDHM CNC(=O)CNC(=S)NN=C(C)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000731927124 1201510172 /nfs/dbraw/zinc/51/01/72/1201510172.db2.gz NEWCSIAOGVSFFH-UHFFFAOYSA-N -1 3 379.486 0.159 20 30 GCEDHM COc1cccc([C@H](O)CNC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000732296175 1201531068 /nfs/dbraw/zinc/53/10/68/1201531068.db2.gz NHIYCNLJVCIRJT-OAHLLOKOSA-N -1 3 389.433 0.584 20 30 GCEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCc1nnnn1C ZINC000733407482 1201588584 /nfs/dbraw/zinc/58/85/84/1201588584.db2.gz VYPMKUQJVKUELU-LBPRGKRZSA-N -1 3 392.441 0.551 20 30 GCEDHM C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1nc(=O)n(C)[n-]1 ZINC001085357581 1201684828 /nfs/dbraw/zinc/68/48/28/1201684828.db2.gz FCEZUUVVEDRUNR-HWMZRRJGSA-N -1 3 377.489 0.997 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000735847796 1201703540 /nfs/dbraw/zinc/70/35/40/1201703540.db2.gz SPBWYKSKWBUFDB-HNENSFHCSA-N -1 3 398.419 0.593 20 30 GCEDHM CC(C)(C)OC(=O)N1CC(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000736094266 1201709058 /nfs/dbraw/zinc/70/90/58/1201709058.db2.gz NLHSKLQWRVISDX-UHFFFAOYSA-N -1 3 394.453 0.461 20 30 GCEDHM O=C(Cn1ccc(C=N[O-])nc1=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000736306758 1201713114 /nfs/dbraw/zinc/71/31/14/1201713114.db2.gz KKQCDAXLCNOMFY-AWEZNQCLSA-N -1 3 382.442 0.010 20 30 GCEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCOCCO ZINC000740179387 1201744744 /nfs/dbraw/zinc/74/47/44/1201744744.db2.gz TXWJXXOAQXSTKY-CQSZACIVSA-N -1 3 384.454 0.692 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCOCCO ZINC000740179386 1201744852 /nfs/dbraw/zinc/74/48/52/1201744852.db2.gz TXWJXXOAQXSTKY-AWEZNQCLSA-N -1 3 384.454 0.692 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCn2cnnc2CC)ccc1F ZINC000740729567 1201748871 /nfs/dbraw/zinc/74/88/71/1201748871.db2.gz DYPNRSNKUYVGNT-UHFFFAOYSA-N -1 3 381.433 0.874 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NC[C@H](O)c1c(F)cccc1F ZINC000740936406 1201752739 /nfs/dbraw/zinc/75/27/39/1201752739.db2.gz KZSYWFNXMKIQMA-ZDUSSCGKSA-N -1 3 395.387 0.853 20 30 GCEDHM C[C@H](CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742490996 1201798412 /nfs/dbraw/zinc/79/84/12/1201798412.db2.gz NAMMNPJGRWABHS-VXGBXAGGSA-N -1 3 399.494 0.149 20 30 GCEDHM CC(=O)N1CCC(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000742488894 1201799030 /nfs/dbraw/zinc/79/90/30/1201799030.db2.gz HMTIOBSVMQJTRY-GFCCVEGCSA-N -1 3 392.481 0.631 20 30 GCEDHM COC(=O)N1CCN(C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000742564209 1201799431 /nfs/dbraw/zinc/79/94/31/1201799431.db2.gz YRTBAKCPQSODOE-GFCCVEGCSA-N -1 3 394.453 0.414 20 30 GCEDHM C[C@H](CC(=O)N[C@@H](C)Cn1ccnc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742543335 1201800506 /nfs/dbraw/zinc/80/05/06/1201800506.db2.gz FXRPZGSMNYSPGG-OLZOCXBDSA-N -1 3 375.454 0.905 20 30 GCEDHM CC[C@H](C)NC(=O)CCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742555163 1201800776 /nfs/dbraw/zinc/80/07/76/1201800776.db2.gz UYUMTNCFIYQRLU-QWHCGFSZSA-N -1 3 394.497 0.925 20 30 GCEDHM CCCNC(=O)CCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742568534 1201802166 /nfs/dbraw/zinc/80/21/66/1201802166.db2.gz QVVSBBJWFGXMIT-LBPRGKRZSA-N -1 3 380.470 0.536 20 30 GCEDHM CC[C@](C)(NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OC ZINC000742605834 1201802569 /nfs/dbraw/zinc/80/25/69/1201802569.db2.gz ZLJAMZXJUZOULP-GTNSWQLSSA-N -1 3 381.454 0.962 20 30 GCEDHM C[C@H](CC(=O)NCCN1CCO[C@@H](C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742609202 1201802929 /nfs/dbraw/zinc/80/29/29/1201802929.db2.gz PJSUQWZWFQFKET-KGLIPLIRSA-N -1 3 394.497 0.341 20 30 GCEDHM CC(C)N1C[C@@H](NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1=O ZINC000742612907 1201803123 /nfs/dbraw/zinc/80/31/23/1201803123.db2.gz MUFCDRAPBMMOOZ-OLZOCXBDSA-N -1 3 392.481 0.629 20 30 GCEDHM CC(C)[C@@H]1C(=O)NCCN1C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742629376 1201803314 /nfs/dbraw/zinc/80/33/14/1201803314.db2.gz KXNDRGPIVPYRIN-MLGOLLRUSA-N -1 3 392.481 0.487 20 30 GCEDHM CC(C)n1cnnc1CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742642929 1201804161 /nfs/dbraw/zinc/80/41/61/1201804161.db2.gz UWSXKFGSQVWDOO-GFCCVEGCSA-N -1 3 390.469 0.993 20 30 GCEDHM CCOC(=O)CCN(C)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742671734 1201804428 /nfs/dbraw/zinc/80/44/28/1201804428.db2.gz JNASUGSKSDIWKK-GFCCVEGCSA-N -1 3 381.454 0.915 20 30 GCEDHM COC(=O)[C@H](C)CN(C)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742670383 1201804461 /nfs/dbraw/zinc/80/44/61/1201804461.db2.gz ISNUZAKPMYAYQE-VXGBXAGGSA-N -1 3 381.454 0.771 20 30 GCEDHM COCCN1CCN(C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000742669635 1201804521 /nfs/dbraw/zinc/80/45/21/1201804521.db2.gz MLSCCJMSZIEUQU-AWEZNQCLSA-N -1 3 394.497 0.294 20 30 GCEDHM COC(=O)[C@H](C)CN(C)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742670381 1201804786 /nfs/dbraw/zinc/80/47/86/1201804786.db2.gz ISNUZAKPMYAYQE-NEPJUHHUSA-N -1 3 381.454 0.771 20 30 GCEDHM C[C@H](CC(=O)NC1(C#N)CCOCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742680754 1201805218 /nfs/dbraw/zinc/80/52/18/1201805218.db2.gz YCDCTDDCVGHLGN-GFCCVEGCSA-N -1 3 376.438 0.693 20 30 GCEDHM C[C@H](CC(=O)N1CC[S@](=O)[C@H](C)[C@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742692032 1201805909 /nfs/dbraw/zinc/80/59/09/1201805909.db2.gz BPTLXPXCVYRIOR-PBGGMMCZSA-N -1 3 397.522 0.872 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2nnnn2C2CC2)ccc1F ZINC000742850751 1201809117 /nfs/dbraw/zinc/80/91/17/1201809117.db2.gz JMZVDFXMNPKPOU-UHFFFAOYSA-N -1 3 380.405 0.541 20 30 GCEDHM CCc1nncn1CCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742872959 1201809424 /nfs/dbraw/zinc/80/94/24/1201809424.db2.gz OOWFMKHMAPFJFW-GFCCVEGCSA-N -1 3 390.469 0.474 20 30 GCEDHM C[C@H](CC(=O)NC[C@H](O)C1CCOCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743470876 1201818765 /nfs/dbraw/zinc/81/87/65/1201818765.db2.gz ZNYFXCCWMFHBQV-DOMZBBRYSA-N -1 3 395.481 0.407 20 30 GCEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@H](C)CC(N)=O ZINC000743525039 1201819668 /nfs/dbraw/zinc/81/96/68/1201819668.db2.gz MKNIGNOAVBNBJM-YPMHNXCESA-N -1 3 380.470 0.664 20 30 GCEDHM C[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCc1ccco1 ZINC000743696547 1201823097 /nfs/dbraw/zinc/82/30/97/1201823097.db2.gz PHBZLBGSBRUZPN-NSHDSACASA-N -1 3 390.421 0.139 20 30 GCEDHM CCOC(=O)c1cc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cn1C ZINC000743758372 1201823328 /nfs/dbraw/zinc/82/33/28/1201823328.db2.gz NUYPMNAGTDTBGN-UHFFFAOYSA-N -1 3 390.421 0.879 20 30 GCEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCCNC(N)=O ZINC000744145922 1201836678 /nfs/dbraw/zinc/83/66/78/1201836678.db2.gz IZEIOCHYQJGWSD-ZDUSSCGKSA-N -1 3 396.469 0.886 20 30 GCEDHM C[C@@H](CC(=O)OCCN1CCOC1=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744145476 1201837013 /nfs/dbraw/zinc/83/70/13/1201837013.db2.gz WOGDLRHNVQEYSF-NSHDSACASA-N -1 3 381.410 0.499 20 30 GCEDHM CCOC(=O)[C@H](COC)OC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000766320028 1201845565 /nfs/dbraw/zinc/84/55/65/1201845565.db2.gz ODZAYHRLVRZRRB-AAEUAGOBSA-N -1 3 398.437 0.625 20 30 GCEDHM COCCCNC(=O)COC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745495729 1201879627 /nfs/dbraw/zinc/87/96/27/1201879627.db2.gz IGZYAYRCEHUDLH-GFCCVEGCSA-N -1 3 397.453 0.200 20 30 GCEDHM CNC(=O)C(C)(C)CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000746236770 1201904124 /nfs/dbraw/zinc/90/41/24/1201904124.db2.gz LRNYWYNTBKZTDR-LLVKDONJSA-N -1 3 380.470 0.392 20 30 GCEDHM COC(=O)[C@@H](COC(C)C)N(C)C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000766811030 1201956367 /nfs/dbraw/zinc/95/63/67/1201956367.db2.gz ZULPOAMCTYNBFZ-CYBMUJFWSA-N -1 3 397.453 0.150 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N[C@@H](CO)Cc1ccc(F)cc1 ZINC000767135369 1201966846 /nfs/dbraw/zinc/96/68/46/1201966846.db2.gz OYTJJVQMWQXGRZ-CQSZACIVSA-N -1 3 391.424 0.584 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000768591253 1202024987 /nfs/dbraw/zinc/02/49/87/1202024987.db2.gz NAXZBNSJDYKFKO-CYBMUJFWSA-N -1 3 393.465 0.570 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000770891207 1202117894 /nfs/dbraw/zinc/11/78/94/1202117894.db2.gz XRZWFYCYXIZNKB-SJKOYZFVSA-N -1 3 379.438 0.179 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N[C@@H](CO)c1ccc(F)cc1 ZINC000771127649 1202124214 /nfs/dbraw/zinc/12/42/14/1202124214.db2.gz BBVAEJKVJATMIX-AWEZNQCLSA-N -1 3 377.397 0.714 20 30 GCEDHM CCOC(=O)C1(CNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000771603885 1202150965 /nfs/dbraw/zinc/15/09/65/1202150965.db2.gz QEKXTEWRXOTODK-GFCCVEGCSA-N -1 3 393.465 0.963 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NC[C@@H](O)c1ccccc1F ZINC000746709970 1205405813 /nfs/dbraw/zinc/40/58/13/1205405813.db2.gz IPZGRCZHNLEHEW-CQSZACIVSA-N -1 3 377.397 0.714 20 30 GCEDHM CN(C(=O)COC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C(C)(C)C#N ZINC000791260794 1205475518 /nfs/dbraw/zinc/47/55/18/1205475518.db2.gz YTPZFPGKCYKEKP-UHFFFAOYSA-N -1 3 378.410 0.029 20 30 GCEDHM C[C@H](CC(=O)N1CC[C@@](C)(C(N)=O)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000794361757 1205513836 /nfs/dbraw/zinc/51/38/36/1205513836.db2.gz SQXOIXLEIXZSLP-PIGZYNQJSA-N -1 3 378.454 0.228 20 30 GCEDHM COC(=O)[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1cccs1 ZINC000747325175 1205554313 /nfs/dbraw/zinc/55/43/13/1205554313.db2.gz FHEUIIFQXVCECB-CQSZACIVSA-N -1 3 393.446 0.817 20 30 GCEDHM CSCC[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)C ZINC000807905217 1205594228 /nfs/dbraw/zinc/59/42/28/1205594228.db2.gz DJDXASNSZDGTHF-LBPRGKRZSA-N -1 3 398.510 0.051 20 30 GCEDHM C[C@H](CC(=O)NCC(C)(C)OCCO)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000813843832 1205680950 /nfs/dbraw/zinc/68/09/50/1205680950.db2.gz HIJUDBFWHXOZKB-GFCCVEGCSA-N -1 3 383.470 0.407 20 30 GCEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC001171680866 1205709070 /nfs/dbraw/zinc/70/90/70/1205709070.db2.gz QDFXRNNIQGMZGY-KFWWJZLASA-N -1 3 395.481 0.094 20 30 GCEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCOC[C@H]1O ZINC001176985927 1205759650 /nfs/dbraw/zinc/75/96/50/1205759650.db2.gz UWDBYRZUFAUSGK-RBSFLKMASA-N -1 3 395.481 0.406 20 30 GCEDHM N#CC(Cc1cccs1)C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-] ZINC001177917857 1205779410 /nfs/dbraw/zinc/77/94/10/1205779410.db2.gz MQHLGGUCGOZPPE-JQWIXIFHSA-N -1 3 393.427 0.973 20 30 GCEDHM COc1ncnc(N(C([O-])=C(C)C#N)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001179894805 1205815446 /nfs/dbraw/zinc/81/54/46/1205815446.db2.gz NCTWDZYCHOEZPT-JTQLQIEISA-N -1 3 391.409 0.958 20 30 GCEDHM C=CCN1C(=O)CC[C@@]12CCCN(C(=O)Cn1cc(F)c(=O)[n-]c1=O)CC2 ZINC001183657243 1205897992 /nfs/dbraw/zinc/89/79/92/1205897992.db2.gz NWQDILIARVUXOK-GOSISDBHSA-N -1 3 378.404 0.648 20 30 GCEDHM CCOC(=O)C1(C#N)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185588375 1205924876 /nfs/dbraw/zinc/92/48/76/1205924876.db2.gz NTFPBMSOZYKROV-UHFFFAOYSA-N -1 3 390.425 0.724 20 30 GCEDHM CCOC(=O)C1(C#N)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185588375 1205924878 /nfs/dbraw/zinc/92/48/78/1205924878.db2.gz NTFPBMSOZYKROV-UHFFFAOYSA-N -1 3 390.425 0.724 20 30 GCEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)C1=O ZINC000774930500 1205929204 /nfs/dbraw/zinc/92/92/04/1205929204.db2.gz SVYDRDPBHFFTPB-BLLLJJGKSA-N -1 3 390.506 0.969 20 30 GCEDHM CC(C)(C)OC(=O)N1CC(O)(C[N-]S(=O)(=O)c2cc(C#N)ccc2F)C1 ZINC001190663322 1206040604 /nfs/dbraw/zinc/04/06/04/1206040604.db2.gz RULGWHHKZBNWLE-UHFFFAOYSA-N -1 3 385.417 0.957 20 30 GCEDHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2F)C1 ZINC001190663687 1206040750 /nfs/dbraw/zinc/04/07/50/1206040750.db2.gz YYXGFIQCELWXHY-CHWSQXEVSA-N -1 3 385.417 0.956 20 30 GCEDHM CNC(=O)[C@H](CCCC[N-]S(=O)(=O)c1cc(C#N)ccc1F)NC(C)=O ZINC001190676569 1206043310 /nfs/dbraw/zinc/04/33/10/1206043310.db2.gz HJXVWGXMZIGHCJ-AWEZNQCLSA-N -1 3 384.433 0.397 20 30 GCEDHM C=CCC1(S(=O)(=O)[N-]c2cc(N3CCN(CCO)CC3)nc(C)n2)CC1 ZINC001190773440 1206046470 /nfs/dbraw/zinc/04/64/70/1206046470.db2.gz ZHUHEBUMWGZUPC-UHFFFAOYSA-N -1 3 381.502 0.750 20 30 GCEDHM N#Cc1ccc(N2CC[C@@H]3[C@H]2CCCN3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001571295734 946172499 /nfs/dbraw/zinc/17/24/99/946172499.db2.gz DKMQFTKGUUNZHG-HUUCEWRRSA-N -1 3 390.411 0.740 20 30 GCEDHM N#Cc1ccc(N2CC[C@@H]3[C@H]2CCCN3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001571295734 946172504 /nfs/dbraw/zinc/17/25/04/946172504.db2.gz DKMQFTKGUUNZHG-HUUCEWRRSA-N -1 3 390.411 0.740 20 30 GCEDHM N#Cc1cncc(N2CCC3(C[C@@H]3NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)n1 ZINC001571295904 946179447 /nfs/dbraw/zinc/17/94/47/946179447.db2.gz IYRUSTXELIBDCA-AWEZNQCLSA-N -1 3 390.411 0.645 20 30 GCEDHM N#Cc1cncc(N2CCC3(C[C@@H]3NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)n1 ZINC001571295904 946179460 /nfs/dbraw/zinc/17/94/60/946179460.db2.gz IYRUSTXELIBDCA-AWEZNQCLSA-N -1 3 390.411 0.645 20 30 GCEDHM N#CCCN(CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)CCN1CCOCC1 ZINC000822811106 946195308 /nfs/dbraw/zinc/19/53/08/946195308.db2.gz SKCNXMCXCYFQDR-UHFFFAOYSA-N -1 3 398.471 0.743 20 30 GCEDHM N#Cc1cc(C(=O)N2C[C@H]3CCN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@H]32)c[nH]1 ZINC001571302097 946292048 /nfs/dbraw/zinc/29/20/48/946292048.db2.gz ONHLOEYKLDAMEK-MEBBXXQBSA-N -1 3 391.395 0.381 20 30 GCEDHM N#Cc1cc(C(=O)N2C[C@H]3CCN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@H]32)c[nH]1 ZINC001571302097 946292062 /nfs/dbraw/zinc/29/20/62/946292062.db2.gz ONHLOEYKLDAMEK-MEBBXXQBSA-N -1 3 391.395 0.381 20 30 GCEDHM N#Cc1cc(C(=O)NC[C@H]2CN(Cc3cccc(-c4nnn[n-]4)c3)CCO2)c[nH]1 ZINC001571309873 946455583 /nfs/dbraw/zinc/45/55/83/946455583.db2.gz NRIDTAMMWJHEDO-KRWDZBQOSA-N -1 3 392.423 0.697 20 30 GCEDHM N#Cc1cc(C(=O)NC[C@H]2CN(Cc3cccc(-c4nn[n-]n4)c3)CCO2)c[nH]1 ZINC001571309873 946455590 /nfs/dbraw/zinc/45/55/90/946455590.db2.gz NRIDTAMMWJHEDO-KRWDZBQOSA-N -1 3 392.423 0.697 20 30 GCEDHM CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571313083 946509886 /nfs/dbraw/zinc/50/98/86/946509886.db2.gz NEOLIBXVXOXDPJ-QMTHXVAHSA-N -1 3 392.427 0.674 20 30 GCEDHM CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571313083 946509899 /nfs/dbraw/zinc/50/98/99/946509899.db2.gz NEOLIBXVXOXDPJ-QMTHXVAHSA-N -1 3 392.427 0.674 20 30 GCEDHM CC1(C)CN(c2cncc(C#N)n2)CC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571313071 946511413 /nfs/dbraw/zinc/51/14/13/946511413.db2.gz MXRUTYAGBRXKJC-AWEZNQCLSA-N -1 3 392.427 0.891 20 30 GCEDHM CC1(C)CN(c2cncc(C#N)n2)CC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571313071 946511420 /nfs/dbraw/zinc/51/14/20/946511420.db2.gz MXRUTYAGBRXKJC-AWEZNQCLSA-N -1 3 392.427 0.891 20 30 GCEDHM C=CCNC(=O)NC(=O)[C@H](C)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000823925873 946518791 /nfs/dbraw/zinc/51/87/91/946518791.db2.gz PKQZZZGXQJPGRA-NSHDSACASA-N -1 3 389.416 0.704 20 30 GCEDHM C=CCNC(=O)NC(=O)[C@H](C)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000823925873 946518801 /nfs/dbraw/zinc/51/88/01/946518801.db2.gz PKQZZZGXQJPGRA-NSHDSACASA-N -1 3 389.416 0.704 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000823932345 946519953 /nfs/dbraw/zinc/51/99/53/946519953.db2.gz VHIQHFYHCYWKMU-UHFFFAOYSA-N -1 3 379.442 0.741 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000823932345 946519962 /nfs/dbraw/zinc/51/99/62/946519962.db2.gz VHIQHFYHCYWKMU-UHFFFAOYSA-N -1 3 379.442 0.741 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000823932088 946521362 /nfs/dbraw/zinc/52/13/62/946521362.db2.gz NZUJMJYHLOFGAT-OAHLLOKOSA-N -1 3 393.469 0.987 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000823932088 946521369 /nfs/dbraw/zinc/52/13/69/946521369.db2.gz NZUJMJYHLOFGAT-OAHLLOKOSA-N -1 3 393.469 0.987 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823932091 946521560 /nfs/dbraw/zinc/52/15/60/946521560.db2.gz OFCVAOYRGBXQKY-UHFFFAOYSA-N -1 3 398.832 0.176 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823932091 946521568 /nfs/dbraw/zinc/52/15/68/946521568.db2.gz OFCVAOYRGBXQKY-UHFFFAOYSA-N -1 3 398.832 0.176 20 30 GCEDHM Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C)n1 ZINC001571313914 946537138 /nfs/dbraw/zinc/53/71/38/946537138.db2.gz XIGPECHKXFIUSV-NWDGAFQWSA-N -1 3 392.427 0.952 20 30 GCEDHM Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C)n1 ZINC001571313914 946537146 /nfs/dbraw/zinc/53/71/46/946537146.db2.gz XIGPECHKXFIUSV-NWDGAFQWSA-N -1 3 392.427 0.952 20 30 GCEDHM C[C@H](C#N)CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824034392 946562285 /nfs/dbraw/zinc/56/22/85/946562285.db2.gz JCBXABGGJWHXDO-SECBINFHSA-N -1 3 399.802 0.920 20 30 GCEDHM C[C@H](C#N)CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824034392 946562300 /nfs/dbraw/zinc/56/23/00/946562300.db2.gz JCBXABGGJWHXDO-SECBINFHSA-N -1 3 399.802 0.920 20 30 GCEDHM C#CCN(C(=O)[C@@H]1C[C@H]1C)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573281945 946681608 /nfs/dbraw/zinc/68/16/08/946681608.db2.gz CXGTYSAOKIJODJ-TZMCWYRMSA-N -1 3 381.440 0.917 20 30 GCEDHM C#CCN(C(=O)[C@@H]1C[C@H]1C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573281945 946681613 /nfs/dbraw/zinc/68/16/13/946681613.db2.gz CXGTYSAOKIJODJ-TZMCWYRMSA-N -1 3 381.440 0.917 20 30 GCEDHM C#CCN(C(=O)c1nc[nH]n1)C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573282269 946687611 /nfs/dbraw/zinc/68/76/11/946687611.db2.gz HSKKDWICCWDWIW-UHFFFAOYSA-N -1 3 378.400 0.124 20 30 GCEDHM C#CCN(C(=O)c1cncnc1)C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573283113 946707045 /nfs/dbraw/zinc/70/70/45/946707045.db2.gz PDNLXGKJQLSGQY-UHFFFAOYSA-N -1 3 389.423 0.796 20 30 GCEDHM C#CCN(C(=O)c1cncnc1)C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573283113 946707053 /nfs/dbraw/zinc/70/70/53/946707053.db2.gz PDNLXGKJQLSGQY-UHFFFAOYSA-N -1 3 389.423 0.796 20 30 GCEDHM C#CCC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1 ZINC001573285058 946765269 /nfs/dbraw/zinc/76/52/69/946765269.db2.gz QJNNRFBTMLATTA-NHAGDIPZSA-N -1 3 379.424 0.575 20 30 GCEDHM C#CCC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1 ZINC001573285058 946765276 /nfs/dbraw/zinc/76/52/76/946765276.db2.gz QJNNRFBTMLATTA-NHAGDIPZSA-N -1 3 379.424 0.575 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)cn1 ZINC001573285701 946784985 /nfs/dbraw/zinc/78/49/85/946784985.db2.gz LLBZMOBFUDWJDQ-BMFZPTHFSA-N -1 3 381.440 0.870 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cn1 ZINC001573285701 946784990 /nfs/dbraw/zinc/78/49/90/946784990.db2.gz LLBZMOBFUDWJDQ-BMFZPTHFSA-N -1 3 381.440 0.870 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1CC=C(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573286006 946791983 /nfs/dbraw/zinc/79/19/83/946791983.db2.gz RGGLMQOFPUIHFU-GFCCVEGCSA-N -1 3 383.412 0.122 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1CC=C(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573286006 946791993 /nfs/dbraw/zinc/79/19/93/946791993.db2.gz RGGLMQOFPUIHFU-GFCCVEGCSA-N -1 3 383.412 0.122 20 30 GCEDHM C#CCO[C@H](C)C(=O)N(C)CCN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573286057 946794378 /nfs/dbraw/zinc/79/43/78/946794378.db2.gz SNOFRQVYQVLVKU-CYBMUJFWSA-N -1 3 387.444 0.542 20 30 GCEDHM C#CCO[C@H](C)C(=O)N(C)CCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573286057 946794386 /nfs/dbraw/zinc/79/43/86/946794386.db2.gz SNOFRQVYQVLVKU-CYBMUJFWSA-N -1 3 387.444 0.542 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC[C@@H](CC)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573286200 946796499 /nfs/dbraw/zinc/79/64/99/946796499.db2.gz WCDNJOGQIJEOAX-HIFRSBDPSA-N -1 3 386.435 0.805 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC[C@@H](CC)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573286200 946796502 /nfs/dbraw/zinc/79/65/02/946796502.db2.gz WCDNJOGQIJEOAX-HIFRSBDPSA-N -1 3 386.435 0.805 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@]2(CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573286507 946808430 /nfs/dbraw/zinc/80/84/30/946808430.db2.gz CTWQGGNJLZENMY-IBGZPJMESA-N -1 3 381.440 0.730 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@]2(CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573286507 946808445 /nfs/dbraw/zinc/80/84/45/946808445.db2.gz CTWQGGNJLZENMY-IBGZPJMESA-N -1 3 381.440 0.730 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001573286595 946811861 /nfs/dbraw/zinc/81/18/61/946811861.db2.gz FWWCZNUUUGHSMQ-DLBZAZTESA-N -1 3 381.440 0.871 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001573286595 946811872 /nfs/dbraw/zinc/81/18/72/946811872.db2.gz FWWCZNUUUGHSMQ-DLBZAZTESA-N -1 3 381.440 0.871 20 30 GCEDHM C#CCOCCC(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)c(C)n3)C[C@@]2(C)C1 ZINC001573287914 946849195 /nfs/dbraw/zinc/84/91/95/946849195.db2.gz QIUAXEAIASTZSL-QRWLVFNGSA-N -1 3 395.467 0.895 20 30 GCEDHM C#CCOCCC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)c(C)n3)C[C@@]2(C)C1 ZINC001573287914 946849206 /nfs/dbraw/zinc/84/92/06/946849206.db2.gz QIUAXEAIASTZSL-QRWLVFNGSA-N -1 3 395.467 0.895 20 30 GCEDHM C#CCOCCC(=O)N[C@H]1CC[C@@H](C)N(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573288037 946855152 /nfs/dbraw/zinc/85/51/52/946855152.db2.gz RQSRXIXMZUXZEA-OCCSQVGLSA-N -1 3 387.419 0.914 20 30 GCEDHM C#CCOCCC(=O)N[C@H]1CC[C@@H](C)N(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573288037 946855161 /nfs/dbraw/zinc/85/51/61/946855161.db2.gz RQSRXIXMZUXZEA-OCCSQVGLSA-N -1 3 387.419 0.914 20 30 GCEDHM C#CCOCCC(=O)N1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](C)C1 ZINC001573288692 946872747 /nfs/dbraw/zinc/87/27/47/946872747.db2.gz XZSDRFGXHHOJPU-CHWSQXEVSA-N -1 3 385.428 0.059 20 30 GCEDHM C#CCOCCC(=O)N1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](C)C1 ZINC001573288692 946872761 /nfs/dbraw/zinc/87/27/61/946872761.db2.gz XZSDRFGXHHOJPU-CHWSQXEVSA-N -1 3 385.428 0.059 20 30 GCEDHM C#CCOCCC(=O)N1C[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2C1 ZINC001573288670 946874157 /nfs/dbraw/zinc/87/41/57/946874157.db2.gz XPOKYXDSHIDLMG-HIFRSBDPSA-N -1 3 399.430 0.725 20 30 GCEDHM C#CCOCCC(=O)N1C[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2C1 ZINC001573288670 946874163 /nfs/dbraw/zinc/87/41/63/946874163.db2.gz XPOKYXDSHIDLMG-HIFRSBDPSA-N -1 3 399.430 0.725 20 30 GCEDHM C#CCO[C@H](C)C(=O)N[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1(C)C ZINC001573288716 946875361 /nfs/dbraw/zinc/87/53/61/946875361.db2.gz YBXCWQHEAWPJNS-RISCZKNCSA-N -1 3 385.428 0.200 20 30 GCEDHM C#CCO[C@H](C)C(=O)N[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1(C)C ZINC001573288716 946875375 /nfs/dbraw/zinc/87/53/75/946875375.db2.gz YBXCWQHEAWPJNS-RISCZKNCSA-N -1 3 385.428 0.200 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1(C)C ZINC001573288714 946876952 /nfs/dbraw/zinc/87/69/52/946876952.db2.gz YBXCWQHEAWPJNS-FZMZJTMJSA-N -1 3 385.428 0.200 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1(C)C ZINC001573288714 946876957 /nfs/dbraw/zinc/87/69/57/946876957.db2.gz YBXCWQHEAWPJNS-FZMZJTMJSA-N -1 3 385.428 0.200 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1(C#N)CC1 ZINC000824633339 946877471 /nfs/dbraw/zinc/87/74/71/946877471.db2.gz LDQQKHDQAWQRMX-SNVBAGLBSA-N -1 3 376.398 0.380 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1(C#N)CC1 ZINC000824633339 946877492 /nfs/dbraw/zinc/87/74/92/946877492.db2.gz LDQQKHDQAWQRMX-SNVBAGLBSA-N -1 3 376.398 0.380 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001573289283 946883188 /nfs/dbraw/zinc/88/31/88/946883188.db2.gz XZWREWNBXHHZDN-FUKZOUPISA-N -1 3 390.407 0.510 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001573289283 946883197 /nfs/dbraw/zinc/88/31/97/946883197.db2.gz XZWREWNBXHHZDN-FUKZOUPISA-N -1 3 390.407 0.510 20 30 GCEDHM C#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nc1 ZINC001573289517 946886705 /nfs/dbraw/zinc/88/67/05/946886705.db2.gz ZSVVBPJWXPZZFP-CQSZACIVSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nc1 ZINC001573289517 946886716 /nfs/dbraw/zinc/88/67/16/946886716.db2.gz ZSVVBPJWXPZZFP-CQSZACIVSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573289661 946889433 /nfs/dbraw/zinc/88/94/33/946889433.db2.gz AQQMDEFBVUPFRV-INIZCTEOSA-N -1 3 389.419 0.750 20 30 GCEDHM C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573289661 946889450 /nfs/dbraw/zinc/88/94/50/946889450.db2.gz AQQMDEFBVUPFRV-INIZCTEOSA-N -1 3 389.419 0.750 20 30 GCEDHM C#Cc1cncc(C(=O)N(C)C[C@@H](O)CNc2nc(C)ccc2-c2nnn[n-]2)c1 ZINC001573289880 946896229 /nfs/dbraw/zinc/89/62/29/946896229.db2.gz FNLYIZZFPDRHAQ-HNNXBMFYSA-N -1 3 392.423 0.491 20 30 GCEDHM C#Cc1cncc(C(=O)N(C)C[C@@H](O)CNc2nc(C)ccc2-c2nn[n-]n2)c1 ZINC001573289880 946896240 /nfs/dbraw/zinc/89/62/40/946896240.db2.gz FNLYIZZFPDRHAQ-HNNXBMFYSA-N -1 3 392.423 0.491 20 30 GCEDHM C#Cc1cccc(NC(=O)CN(C)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001573291156 946914474 /nfs/dbraw/zinc/91/44/74/946914474.db2.gz XWRYEUWWMVLENO-UHFFFAOYSA-N -1 3 392.423 0.476 20 30 GCEDHM C#Cc1cccc(NC(=O)CN(C)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001573291156 946914470 /nfs/dbraw/zinc/91/44/70/946914470.db2.gz XWRYEUWWMVLENO-UHFFFAOYSA-N -1 3 392.423 0.476 20 30 GCEDHM C#Cc1ccccc1CC(=O)N(C)C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573291405 946920520 /nfs/dbraw/zinc/92/05/20/946920520.db2.gz ZTIDZMARHMEITK-CYBMUJFWSA-N -1 3 391.435 0.996 20 30 GCEDHM C#Cc1ccccc1CC(=O)N(C)C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573291405 946920528 /nfs/dbraw/zinc/92/05/28/946920528.db2.gz ZTIDZMARHMEITK-CYBMUJFWSA-N -1 3 391.435 0.996 20 30 GCEDHM C=C(Br)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573291806 946924418 /nfs/dbraw/zinc/92/44/18/946924418.db2.gz JCYKYLHXFYTXDA-GDGBQDQQSA-N -1 3 378.234 0.763 20 30 GCEDHM C=C(Br)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573291806 946924427 /nfs/dbraw/zinc/92/44/27/946924427.db2.gz JCYKYLHXFYTXDA-GDGBQDQQSA-N -1 3 378.234 0.763 20 30 GCEDHM C#Cc1cncc(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001573291960 946926876 /nfs/dbraw/zinc/92/68/76/946926876.db2.gz LXLRTNIXBDPSRZ-OAHLLOKOSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1cncc(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001573291960 946926882 /nfs/dbraw/zinc/92/68/82/946926882.db2.gz LXLRTNIXBDPSRZ-OAHLLOKOSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1cncc(C(=O)N[C@H](C)CCCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001573292148 946929054 /nfs/dbraw/zinc/92/90/54/946929054.db2.gz PDCNRNVAOMJWJJ-GFCCVEGCSA-N -1 3 392.423 0.900 20 30 GCEDHM C#Cc1cncc(C(=O)N[C@H](C)CCCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001573292148 946929063 /nfs/dbraw/zinc/92/90/63/946929063.db2.gz PDCNRNVAOMJWJJ-GFCCVEGCSA-N -1 3 392.423 0.900 20 30 GCEDHM C=C(C)C(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573293494 946957504 /nfs/dbraw/zinc/95/75/04/946957504.db2.gz XXYXDHNTQVWGCF-SFHVURJKSA-N -1 3 387.444 0.490 20 30 GCEDHM C=C(C)C(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573293494 946957514 /nfs/dbraw/zinc/95/75/14/946957514.db2.gz XXYXDHNTQVWGCF-SFHVURJKSA-N -1 3 387.444 0.490 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573294444 946988452 /nfs/dbraw/zinc/98/84/52/946988452.db2.gz FXQCZDCOVLWLDW-INWMFGNUSA-N -1 3 387.444 0.440 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573294444 946988456 /nfs/dbraw/zinc/98/84/56/946988456.db2.gz FXQCZDCOVLWLDW-INWMFGNUSA-N -1 3 387.444 0.440 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CC2 ZINC001573566716 947029555 /nfs/dbraw/zinc/02/95/55/947029555.db2.gz FYVPKAFGVUFRHO-GFCCVEGCSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CC2 ZINC001573566716 947029563 /nfs/dbraw/zinc/02/95/63/947029563.db2.gz FYVPKAFGVUFRHO-GFCCVEGCSA-N -1 3 382.428 0.809 20 30 GCEDHM C=C(Cl)CN1CC[C@@H](N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001573295915 947030642 /nfs/dbraw/zinc/03/06/42/947030642.db2.gz XEHSYYLRVMVALA-CQSZACIVSA-N -1 3 390.879 0.779 20 30 GCEDHM C=C(Cl)CN1CC[C@@H](N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001573295915 947030652 /nfs/dbraw/zinc/03/06/52/947030652.db2.gz XEHSYYLRVMVALA-CQSZACIVSA-N -1 3 390.879 0.779 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC2(CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001573567196 947037808 /nfs/dbraw/zinc/03/78/08/947037808.db2.gz JYOUDEJGYAQGOG-GFCCVEGCSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC[C@@H](N(CCO)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573567648 947052760 /nfs/dbraw/zinc/05/27/60/947052760.db2.gz PYFUTRZLHNDJFM-QWHCGFSZSA-N -1 3 387.419 0.955 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC[C@@H](N(CCO)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573567648 947052772 /nfs/dbraw/zinc/05/27/72/947052772.db2.gz PYFUTRZLHNDJFM-QWHCGFSZSA-N -1 3 387.419 0.955 20 30 GCEDHM C=C1CC(C)(C(=O)N2CCO[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001573296950 947057980 /nfs/dbraw/zinc/05/79/80/947057980.db2.gz CGDOORDHRLTGHF-GFCCVEGCSA-N -1 3 385.428 0.508 20 30 GCEDHM C=C1CC(C)(C(=O)N2CCO[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001573296950 947057990 /nfs/dbraw/zinc/05/79/90/947057990.db2.gz CGDOORDHRLTGHF-GFCCVEGCSA-N -1 3 385.428 0.508 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC2(CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001573567975 947062860 /nfs/dbraw/zinc/06/28/60/947062860.db2.gz VVYKVBUQRDQRCY-LBPRGKRZSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC2(CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001573567975 947062869 /nfs/dbraw/zinc/06/28/69/947062869.db2.gz VVYKVBUQRDQRCY-LBPRGKRZSA-N -1 3 382.428 0.809 20 30 GCEDHM C=C(C)C[C@@H](C)C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573298126 947068271 /nfs/dbraw/zinc/06/82/71/947068271.db2.gz BAXFBBLXGGQLMP-GFCCVEGCSA-N -1 3 387.444 0.490 20 30 GCEDHM C=C(C)C[C@@H](C)C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573298126 947068284 /nfs/dbraw/zinc/06/82/84/947068284.db2.gz BAXFBBLXGGQLMP-GFCCVEGCSA-N -1 3 387.444 0.490 20 30 GCEDHM C=C(C)[C@H](CC(=O)N[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)OCC ZINC001573298039 947069794 /nfs/dbraw/zinc/06/97/94/947069794.db2.gz ADVJFHGSCIEKKH-FZMZJTMJSA-N -1 3 375.433 0.801 20 30 GCEDHM C=C(C)[C@H](CC(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)OCC ZINC001573298039 947069802 /nfs/dbraw/zinc/06/98/02/947069802.db2.gz ADVJFHGSCIEKKH-FZMZJTMJSA-N -1 3 375.433 0.801 20 30 GCEDHM C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573570056 947081625 /nfs/dbraw/zinc/08/16/25/947081625.db2.gz JDJGSBNYDQYQDC-BYCMXARLSA-N -1 3 392.427 0.561 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCO[C@@H](CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573571061 947099697 /nfs/dbraw/zinc/09/96/97/947099697.db2.gz YDRSWGNBOPCTCK-ONGXEEELSA-N -1 3 376.808 0.714 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCO[C@@H](CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573571061 947099707 /nfs/dbraw/zinc/09/97/07/947099707.db2.gz YDRSWGNBOPCTCK-ONGXEEELSA-N -1 3 376.808 0.714 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccccc1 ZINC001573572004 947106780 /nfs/dbraw/zinc/10/67/80/947106780.db2.gz CTFDXVHDLVQJSI-NHYWBVRUSA-N -1 3 378.396 0.942 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccccc1 ZINC001573572004 947106789 /nfs/dbraw/zinc/10/67/89/947106789.db2.gz CTFDXVHDLVQJSI-NHYWBVRUSA-N -1 3 378.396 0.942 20 30 GCEDHM C[C@@H](C#N)C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573572308 947110165 /nfs/dbraw/zinc/11/01/65/947110165.db2.gz GUOGLAGBNAKFDB-HLVVYCRESA-N -1 3 382.428 0.996 20 30 GCEDHM C[C@@H](C#N)C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573572308 947110172 /nfs/dbraw/zinc/11/01/72/947110172.db2.gz GUOGLAGBNAKFDB-HLVVYCRESA-N -1 3 382.428 0.996 20 30 GCEDHM C[C@H](C#N)C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573573088 947119917 /nfs/dbraw/zinc/11/99/17/947119917.db2.gz MMGCAQYZRCKFMK-ODWCKFRGSA-N -1 3 382.428 0.996 20 30 GCEDHM C[C@H](C#N)C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573573088 947119926 /nfs/dbraw/zinc/11/99/26/947119926.db2.gz MMGCAQYZRCKFMK-ODWCKFRGSA-N -1 3 382.428 0.996 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573300772 947121366 /nfs/dbraw/zinc/12/13/66/947121366.db2.gz UNJGMSCYFBKAOD-HNNXBMFYSA-N -1 3 386.460 0.911 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573300772 947121373 /nfs/dbraw/zinc/12/13/73/947121373.db2.gz UNJGMSCYFBKAOD-HNNXBMFYSA-N -1 3 386.460 0.911 20 30 GCEDHM C[C@@H](C#N)C(=O)NC1(CO)CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573574773 947134534 /nfs/dbraw/zinc/13/45/34/947134534.db2.gz UUEXMDOKIARFTC-JTQLQIEISA-N -1 3 390.835 0.522 20 30 GCEDHM C[C@@H](C#N)C(=O)NC1(CO)CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573574773 947134538 /nfs/dbraw/zinc/13/45/38/947134538.db2.gz UUEXMDOKIARFTC-JTQLQIEISA-N -1 3 390.835 0.522 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@]1(C)CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CCO1 ZINC001573575931 947144997 /nfs/dbraw/zinc/14/49/97/947144997.db2.gz BVQWRYLVXIDMKL-KZULUSFZSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@]1(C)CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CCO1 ZINC001573575931 947145001 /nfs/dbraw/zinc/14/50/01/947145001.db2.gz BVQWRYLVXIDMKL-KZULUSFZSA-N -1 3 387.419 0.873 20 30 GCEDHM C=CC(C)(C)C(=O)NC[C@]1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001573305072 947147536 /nfs/dbraw/zinc/14/75/36/947147536.db2.gz LVTDMPRNMIAOES-GOSISDBHSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CC(C)(C)C(=O)NC[C@]1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001573305072 947147543 /nfs/dbraw/zinc/14/75/43/947147543.db2.gz LVTDMPRNMIAOES-GOSISDBHSA-N -1 3 387.444 0.754 20 30 GCEDHM C=C[C@@](C)(CC)C(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001573305204 947152295 /nfs/dbraw/zinc/15/22/95/947152295.db2.gz BORCYCMQDPZBMG-UGSOOPFHSA-N -1 3 387.444 0.754 20 30 GCEDHM C=C[C@@](C)(CC)C(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001573305204 947152299 /nfs/dbraw/zinc/15/22/99/947152299.db2.gz BORCYCMQDPZBMG-UGSOOPFHSA-N -1 3 387.444 0.754 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573576599 947153532 /nfs/dbraw/zinc/15/35/32/947153532.db2.gz HYJHAKIBLCXXFY-IAQYHMDHSA-N -1 3 378.396 0.942 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(c2ncc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC001573577086 947160028 /nfs/dbraw/zinc/16/00/28/947160028.db2.gz LYHGZPLLJIEUTG-QFYYESIMSA-N -1 3 390.835 0.786 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(c2ncc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC001573577086 947160033 /nfs/dbraw/zinc/16/00/33/947160033.db2.gz LYHGZPLLJIEUTG-QFYYESIMSA-N -1 3 390.835 0.786 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H]1CCC2(CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)O1 ZINC001573577140 947161804 /nfs/dbraw/zinc/16/18/04/947161804.db2.gz MQEZXLWILPOWJB-CZUORRHYSA-N -1 3 381.440 0.876 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC001573577620 947170515 /nfs/dbraw/zinc/17/05/15/947170515.db2.gz RQHGCDJEWYJOAF-SGTLLEGYSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@]1(C)CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC001573577620 947170520 /nfs/dbraw/zinc/17/05/20/947170520.db2.gz RQHGCDJEWYJOAF-SGTLLEGYSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@H]1COC2(CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001573577956 947178023 /nfs/dbraw/zinc/17/80/23/947178023.db2.gz WGTAKYQQKTXQND-WCQYABFASA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@H]1COC2(CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC001573577956 947178031 /nfs/dbraw/zinc/17/80/31/947178031.db2.gz WGTAKYQQKTXQND-WCQYABFASA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@@H](C#N)C(=O)NCCc1ccc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC001573583004 947198559 /nfs/dbraw/zinc/19/85/59/947198559.db2.gz IBZLLRHALHMWBK-LBPRGKRZSA-N -1 3 392.423 0.943 20 30 GCEDHM C[C@@H](C#N)C(=O)NCCc1ccc(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC001573583004 947198567 /nfs/dbraw/zinc/19/85/67/947198567.db2.gz IBZLLRHALHMWBK-LBPRGKRZSA-N -1 3 392.423 0.943 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N[C@H](CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573309487 947201235 /nfs/dbraw/zinc/20/12/35/947201235.db2.gz JKXUBGSSTXACEJ-ACJLOTCBSA-N -1 3 389.460 0.783 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N[C@H](CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573309487 947201242 /nfs/dbraw/zinc/20/12/42/947201242.db2.gz JKXUBGSSTXACEJ-ACJLOTCBSA-N -1 3 389.460 0.783 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)NC[C@H]1CCN1Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001573309613 947204643 /nfs/dbraw/zinc/20/46/43/947204643.db2.gz LONHTVFPLUEZHU-AUUYWEPGSA-N -1 3 386.456 0.893 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)NC[C@H]1CCN1Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001573309613 947204651 /nfs/dbraw/zinc/20/46/51/947204651.db2.gz LONHTVFPLUEZHU-AUUYWEPGSA-N -1 3 386.456 0.893 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1C[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1 ZINC001573309603 947205933 /nfs/dbraw/zinc/20/59/33/947205933.db2.gz LLYVAEVBKZBDNL-BIENJYKASA-N -1 3 383.456 0.874 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1C[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1 ZINC001573309603 947205940 /nfs/dbraw/zinc/20/59/40/947205940.db2.gz LLYVAEVBKZBDNL-BIENJYKASA-N -1 3 383.456 0.874 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC001573583792 947208266 /nfs/dbraw/zinc/20/82/66/947208266.db2.gz OVXDKDXCPOBNFH-ONGXEEELSA-N -1 3 376.808 0.396 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC001573583792 947208272 /nfs/dbraw/zinc/20/82/72/947208272.db2.gz OVXDKDXCPOBNFH-ONGXEEELSA-N -1 3 376.808 0.396 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1(F)F ZINC001573583841 947210041 /nfs/dbraw/zinc/21/00/41/947210041.db2.gz PQBSVAAEOKMPRP-MWLCHTKSSA-N -1 3 392.370 0.568 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1(F)F ZINC001573583841 947210053 /nfs/dbraw/zinc/21/00/53/947210053.db2.gz PQBSVAAEOKMPRP-MWLCHTKSSA-N -1 3 392.370 0.568 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CCCO1 ZINC001573584154 947214173 /nfs/dbraw/zinc/21/41/73/947214173.db2.gz QRSWLRBCXZRNQB-JSGCOSHPSA-N -1 3 387.419 0.873 20 30 GCEDHM CCOC(=O)c1cnn(CC(=O)N(C)C2(C#N)CCCCC2)c1-c1nnn[n-]1 ZINC000825564790 947222130 /nfs/dbraw/zinc/22/21/30/947222130.db2.gz FSJZJSBFFPDHGT-UHFFFAOYSA-N -1 3 386.416 0.925 20 30 GCEDHM C[C@@H](C#N)C(=O)NCc1ccc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC001573584714 947231794 /nfs/dbraw/zinc/23/17/94/947231794.db2.gz CGSUBIPUSRGEED-NSHDSACASA-N -1 3 378.396 0.901 20 30 GCEDHM C[C@@H](C#N)C(=O)NCc1ccc(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC001573584714 947231800 /nfs/dbraw/zinc/23/18/00/947231800.db2.gz CGSUBIPUSRGEED-NSHDSACASA-N -1 3 378.396 0.901 20 30 GCEDHM C[C@H](C#N)C(=O)NCc1ccc(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC001573584879 947237135 /nfs/dbraw/zinc/23/71/35/947237135.db2.gz HCLJXUXVKRIMLH-LLVKDONJSA-N -1 3 378.396 0.901 20 30 GCEDHM C[C@H](C#N)C(=O)NCc1cn(C2CN(Cc3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC001573584883 947238908 /nfs/dbraw/zinc/23/89/08/947238908.db2.gz HDYATSVBOKRXIE-GFCCVEGCSA-N -1 3 392.427 0.291 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573585611 947262473 /nfs/dbraw/zinc/26/24/73/947262473.db2.gz SWGVCXGAUAAJBU-UHNFBRDESA-N -1 3 390.407 0.866 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573585611 947262479 /nfs/dbraw/zinc/26/24/79/947262479.db2.gz SWGVCXGAUAAJBU-UHNFBRDESA-N -1 3 390.407 0.866 20 30 GCEDHM C=C[C@H](CC)CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573315958 947263322 /nfs/dbraw/zinc/26/33/22/947263322.db2.gz RENZWCPCLZGVMP-OLZOCXBDSA-N -1 3 389.460 0.688 20 30 GCEDHM C=C[C@H](CC)CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573315958 947263330 /nfs/dbraw/zinc/26/33/30/947263330.db2.gz RENZWCPCLZGVMP-OLZOCXBDSA-N -1 3 389.460 0.688 20 30 GCEDHM C=C[C@H](CC)CC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573316352 947270809 /nfs/dbraw/zinc/27/08/09/947270809.db2.gz VZPLUBMFFYZMHM-OLZOCXBDSA-N -1 3 387.444 0.754 20 30 GCEDHM C=C[C@H](CC)CC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573316352 947270822 /nfs/dbraw/zinc/27/08/22/947270822.db2.gz VZPLUBMFFYZMHM-OLZOCXBDSA-N -1 3 387.444 0.754 20 30 GCEDHM CN(CC(=O)Nc1ccccc1Cl)C(=O)Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC000825892624 947361356 /nfs/dbraw/zinc/36/13/56/947361356.db2.gz QOSXOAIELSJESX-UHFFFAOYSA-N -1 3 399.802 0.685 20 30 GCEDHM C=CCC1(C(=O)NC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCOCC1 ZINC001573326377 947370821 /nfs/dbraw/zinc/37/08/21/947370821.db2.gz OJWUPOOLYNWMFX-UHFFFAOYSA-N -1 3 385.428 0.508 20 30 GCEDHM C=CCC1(C(=O)NC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCOCC1 ZINC001573326377 947370834 /nfs/dbraw/zinc/37/08/34/947370834.db2.gz OJWUPOOLYNWMFX-UHFFFAOYSA-N -1 3 385.428 0.508 20 30 GCEDHM CN(CCCc1[nH]nc(N)c1C#N)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000825938329 947377557 /nfs/dbraw/zinc/37/75/57/947377557.db2.gz PMIAEKVYHQSDEX-UHFFFAOYSA-N -1 3 380.416 0.547 20 30 GCEDHM C=CCC1(C(=O)NCCN(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1 ZINC001573326616 947378578 /nfs/dbraw/zinc/37/85/78/947378578.db2.gz RTRPJSQWGLBTAH-UHFFFAOYSA-N -1 3 387.444 0.492 20 30 GCEDHM C=CCC1(C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1 ZINC001573326616 947378586 /nfs/dbraw/zinc/37/85/86/947378586.db2.gz RTRPJSQWGLBTAH-UHFFFAOYSA-N -1 3 387.444 0.492 20 30 GCEDHM C=CCCCC(=O)N1CCO[C@@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573334228 947451651 /nfs/dbraw/zinc/45/16/51/947451651.db2.gz KXUSOGUXMWTJSG-SFHVURJKSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCCCC(=O)N1CCO[C@@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573334228 947451659 /nfs/dbraw/zinc/45/16/59/947451659.db2.gz KXUSOGUXMWTJSG-SFHVURJKSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573335628 947485013 /nfs/dbraw/zinc/48/50/13/947485013.db2.gz BYRFCHYEXIIIRF-TYNCELHUSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573335628 947485021 /nfs/dbraw/zinc/48/50/21/947485021.db2.gz BYRFCHYEXIIIRF-TYNCELHUSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573335697 947487156 /nfs/dbraw/zinc/48/71/56/947487156.db2.gz CLOPKHOEMRSTEP-UKRRQHHQSA-N -1 3 387.444 0.882 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573335697 947487163 /nfs/dbraw/zinc/48/71/63/947487163.db2.gz CLOPKHOEMRSTEP-UKRRQHHQSA-N -1 3 387.444 0.882 20 30 GCEDHM C=CCCOCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573335987 947496129 /nfs/dbraw/zinc/49/61/29/947496129.db2.gz GUJHUPYUAONQMH-GXTWGEPZSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCCOCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573335987 947496136 /nfs/dbraw/zinc/49/61/36/947496136.db2.gz GUJHUPYUAONQMH-GXTWGEPZSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1 ZINC001573336609 947508391 /nfs/dbraw/zinc/50/83/91/947508391.db2.gz PQDUVPXCABQADE-LBPRGKRZSA-N -1 3 387.444 0.945 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1 ZINC001573336609 947508401 /nfs/dbraw/zinc/50/84/01/947508401.db2.gz PQDUVPXCABQADE-LBPRGKRZSA-N -1 3 387.444 0.945 20 30 GCEDHM C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C ZINC001573336707 947509152 /nfs/dbraw/zinc/50/91/52/947509152.db2.gz QKIIATPSNXFXPQ-CHWSQXEVSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001573336707 947509162 /nfs/dbraw/zinc/50/91/62/947509162.db2.gz QKIIATPSNXFXPQ-CHWSQXEVSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573336778 947511098 /nfs/dbraw/zinc/51/10/98/947511098.db2.gz RAAZMXOTIKDBOR-GXTWGEPZSA-N -1 3 387.444 0.849 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573336778 947511107 /nfs/dbraw/zinc/51/11/07/947511107.db2.gz RAAZMXOTIKDBOR-GXTWGEPZSA-N -1 3 387.444 0.849 20 30 GCEDHM C=CCCn1cc(C(=O)NCC=CCNc2ncccc2-c2nnn[n-]2)nn1 ZINC001573341582 947533394 /nfs/dbraw/zinc/53/33/94/947533394.db2.gz OBVRMCLAVBSZKR-SNAWJCMRSA-N -1 3 380.416 0.827 20 30 GCEDHM C=CCCn1cc(C(=O)NCC=CCNc2ncccc2-c2nn[n-]n2)nn1 ZINC001573341582 947533407 /nfs/dbraw/zinc/53/34/07/947533407.db2.gz OBVRMCLAVBSZKR-SNAWJCMRSA-N -1 3 380.416 0.827 20 30 GCEDHM C=CCCn1cc(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nnn[n-]3)nc2)nn1 ZINC001573341996 947537019 /nfs/dbraw/zinc/53/70/19/947537019.db2.gz SCCNZZRFFCPJKD-GFCCVEGCSA-N -1 3 382.432 0.684 20 30 GCEDHM C=CCCn1cc(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nn[n-]n3)nc2)nn1 ZINC001573341996 947537034 /nfs/dbraw/zinc/53/70/34/947537034.db2.gz SCCNZZRFFCPJKD-GFCCVEGCSA-N -1 3 382.432 0.684 20 30 GCEDHM C=CCOCC(=O)NC[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573342729 947543879 /nfs/dbraw/zinc/54/38/79/947543879.db2.gz BAVDUWRGEQIESR-HNNXBMFYSA-N -1 3 390.419 0.525 20 30 GCEDHM C=CCOCC(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573342729 947543887 /nfs/dbraw/zinc/54/38/87/947543887.db2.gz BAVDUWRGEQIESR-HNNXBMFYSA-N -1 3 390.419 0.525 20 30 GCEDHM C=CCOCC(=O)NC1(CCO)CN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573343075 947553449 /nfs/dbraw/zinc/55/34/49/947553449.db2.gz JBHPWZZUTZZLIZ-UHFFFAOYSA-N -1 3 390.419 0.261 20 30 GCEDHM C=CCOCC(=O)NC1(CCO)CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573343075 947553460 /nfs/dbraw/zinc/55/34/60/947553460.db2.gz JBHPWZZUTZZLIZ-UHFFFAOYSA-N -1 3 390.419 0.261 20 30 GCEDHM C=CCOCC(=O)N1CCCCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573343117 947553522 /nfs/dbraw/zinc/55/35/22/947553522.db2.gz JPWLIYJMQKLDRQ-CYBMUJFWSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCOCC(=O)N1CCCCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573343117 947553530 /nfs/dbraw/zinc/55/35/30/947553530.db2.gz JPWLIYJMQKLDRQ-CYBMUJFWSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCOCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O ZINC001573344014 947567048 /nfs/dbraw/zinc/56/70/48/947567048.db2.gz WHQFNWVZRCOTMR-OCCSQVGLSA-N -1 3 376.392 0.264 20 30 GCEDHM C=CCOCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O ZINC001573344014 947567054 /nfs/dbraw/zinc/56/70/54/947567054.db2.gz WHQFNWVZRCOTMR-OCCSQVGLSA-N -1 3 376.392 0.264 20 30 GCEDHM C=CCOCC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O ZINC001573344013 947567542 /nfs/dbraw/zinc/56/75/42/947567542.db2.gz WHQFNWVZRCOTMR-JSGCOSHPSA-N -1 3 376.392 0.264 20 30 GCEDHM C=CCOCC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O ZINC001573344013 947567545 /nfs/dbraw/zinc/56/75/45/947567545.db2.gz WHQFNWVZRCOTMR-JSGCOSHPSA-N -1 3 376.392 0.264 20 30 GCEDHM C=CCOCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573344169 947569694 /nfs/dbraw/zinc/56/96/94/947569694.db2.gz XTDGRQQSULZYJV-DOMZBBRYSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCOCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573344169 947569699 /nfs/dbraw/zinc/56/96/99/947569699.db2.gz XTDGRQQSULZYJV-DOMZBBRYSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCOCC(=O)N1CC[C@H]2[C@@H](CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573344172 947569870 /nfs/dbraw/zinc/56/98/70/947569870.db2.gz XTDGRQQSULZYJV-WFASDCNBSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCOCC(=O)N1CC[C@H]2[C@@H](CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573344172 947569874 /nfs/dbraw/zinc/56/98/74/947569874.db2.gz XTDGRQQSULZYJV-WFASDCNBSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCn1cc(C(=O)N(C)[C@@H](C)CNc2snc(C)c2-c2nnn[n-]2)nn1 ZINC001573347735 947576952 /nfs/dbraw/zinc/57/69/52/947576952.db2.gz GYIHZKBSCRDBOP-VIFPVBQESA-N -1 3 388.461 0.982 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573351291 947610513 /nfs/dbraw/zinc/61/05/13/947610513.db2.gz PLRUUTDOSDICGC-IAISJRAMSA-N -1 3 385.428 0.507 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573351291 947610523 /nfs/dbraw/zinc/61/05/23/947610523.db2.gz PLRUUTDOSDICGC-IAISJRAMSA-N -1 3 385.428 0.507 20 30 GCEDHM COc1ccc(N2CCN(C(=O)Cn3cnc(C#N)c3-c3nnn[n-]3)CC2)cc1 ZINC000826209713 947610853 /nfs/dbraw/zinc/61/08/53/947610853.db2.gz NLJNCMIOGUPFSS-UHFFFAOYSA-N -1 3 393.411 0.292 20 30 GCEDHM C=CCn1cc(C(=O)NCC[C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)nn1 ZINC001573351613 947616126 /nfs/dbraw/zinc/61/61/26/947616126.db2.gz UMLHCOYYLPVLHE-LBPRGKRZSA-N -1 3 382.432 0.968 20 30 GCEDHM C=CCn1cc(C(=O)NCC[C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)nn1 ZINC001573351613 947616131 /nfs/dbraw/zinc/61/61/31/947616131.db2.gz UMLHCOYYLPVLHE-LBPRGKRZSA-N -1 3 382.432 0.968 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573351589 947616567 /nfs/dbraw/zinc/61/65/67/947616567.db2.gz TTYBIIQZOVAHTN-FMKPAKJESA-N -1 3 385.428 0.492 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573351589 947616581 /nfs/dbraw/zinc/61/65/81/947616581.db2.gz TTYBIIQZOVAHTN-FMKPAKJESA-N -1 3 385.428 0.492 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573351851 947621849 /nfs/dbraw/zinc/62/18/49/947621849.db2.gz WCPDWELCVDAONE-YUELXQCFSA-N -1 3 387.444 0.657 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573351851 947621855 /nfs/dbraw/zinc/62/18/55/947621855.db2.gz WCPDWELCVDAONE-YUELXQCFSA-N -1 3 387.444 0.657 20 30 GCEDHM CC#CCN1CC2(C1)C[C@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)c1nccn12 ZINC001573358311 947661958 /nfs/dbraw/zinc/66/19/58/947661958.db2.gz IHVBOXNMAUWXLZ-AWEZNQCLSA-N -1 3 377.412 0.300 20 30 GCEDHM CC#CCN1CC2(C1)C[C@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)c1nccn12 ZINC001573358311 947661968 /nfs/dbraw/zinc/66/19/68/947661968.db2.gz IHVBOXNMAUWXLZ-AWEZNQCLSA-N -1 3 377.412 0.300 20 30 GCEDHM CC#CCCCC(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573358402 947662017 /nfs/dbraw/zinc/66/20/17/947662017.db2.gz JLXLJQWQHCGRAR-CQSZACIVSA-N -1 3 385.428 0.346 20 30 GCEDHM CC#CCCCC(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573358402 947662028 /nfs/dbraw/zinc/66/20/28/947662028.db2.gz JLXLJQWQHCGRAR-CQSZACIVSA-N -1 3 385.428 0.346 20 30 GCEDHM CC#CCCCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001573359350 947686128 /nfs/dbraw/zinc/68/61/28/947686128.db2.gz ZPKDSGOYEJOKQB-ZFWWWQNUSA-N -1 3 385.428 0.080 20 30 GCEDHM CC#CCCCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001573359350 947686131 /nfs/dbraw/zinc/68/61/31/947686131.db2.gz ZPKDSGOYEJOKQB-ZFWWWQNUSA-N -1 3 385.428 0.080 20 30 GCEDHM Cc1cc(C)c(NC(=O)CNC(=O)Cn2cnc(C#N)c2-c2nnn[n-]2)c(C)c1 ZINC000826263630 947761470 /nfs/dbraw/zinc/76/14/70/947761470.db2.gz KVYYQYWDJIFURD-UHFFFAOYSA-N -1 3 393.411 0.615 20 30 GCEDHM N#Cc1cc(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c[nH]1 ZINC000826383659 948184464 /nfs/dbraw/zinc/18/44/64/948184464.db2.gz KRSPBPRIHFAOSP-YGRLFVJLSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1cc(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c[nH]1 ZINC000826383659 948184472 /nfs/dbraw/zinc/18/44/72/948184472.db2.gz KRSPBPRIHFAOSP-YGRLFVJLSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1ncn(Cc2cccc(Cn3cnc(C#N)c3-c3nnn[n-]3)c2)c1C#N ZINC000826388259 948194459 /nfs/dbraw/zinc/19/44/59/948194459.db2.gz PFBUELOEAIPZLK-UHFFFAOYSA-N -1 3 381.363 0.971 20 30 GCEDHM COC(=O)C1(C#N)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185597177 948491880 /nfs/dbraw/zinc/49/18/80/948491880.db2.gz JJMWYDGMKVOAEY-UHFFFAOYSA-N -1 3 376.398 0.334 20 30 GCEDHM COC(=O)C1(C#N)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185597177 948491886 /nfs/dbraw/zinc/49/18/86/948491886.db2.gz JJMWYDGMKVOAEY-UHFFFAOYSA-N -1 3 376.398 0.334 20 30 GCEDHM CC(C)(C#N)CS(=O)(=O)N1CC[C@H](Oc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573762037 948853387 /nfs/dbraw/zinc/85/33/87/948853387.db2.gz PZDAECNOGRYFFC-LBPRGKRZSA-N -1 3 377.430 0.594 20 30 GCEDHM CC(C)(C#N)CS(=O)(=O)N1CC[C@H](Oc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573762037 948853405 /nfs/dbraw/zinc/85/34/05/948853405.db2.gz PZDAECNOGRYFFC-LBPRGKRZSA-N -1 3 377.430 0.594 20 30 GCEDHM CC(C)(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001573793028 949283860 /nfs/dbraw/zinc/28/38/60/949283860.db2.gz IPKGSCXXMQWBRR-GFCCVEGCSA-N -1 3 385.428 0.202 20 30 GCEDHM CC(C)(C)C#CC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001573793028 949283879 /nfs/dbraw/zinc/28/38/79/949283879.db2.gz IPKGSCXXMQWBRR-GFCCVEGCSA-N -1 3 385.428 0.202 20 30 GCEDHM CC(C)(C)C#CC(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573793302 949293050 /nfs/dbraw/zinc/29/30/50/949293050.db2.gz OEKUHFDOUFQXMS-CYBMUJFWSA-N -1 3 385.428 0.202 20 30 GCEDHM CC(C)(C)C#CC(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573793302 949293072 /nfs/dbraw/zinc/29/30/72/949293072.db2.gz OEKUHFDOUFQXMS-CYBMUJFWSA-N -1 3 385.428 0.202 20 30 GCEDHM CC(C)(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573793366 949298625 /nfs/dbraw/zinc/29/86/25/949298625.db2.gz QJDPZWRNYPYCTB-LBPRGKRZSA-N -1 3 385.428 0.202 20 30 GCEDHM CC(C)(C)C#CC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573793366 949298649 /nfs/dbraw/zinc/29/86/49/949298649.db2.gz QJDPZWRNYPYCTB-LBPRGKRZSA-N -1 3 385.428 0.202 20 30 GCEDHM CC(C)(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573793582 949303824 /nfs/dbraw/zinc/30/38/24/949303824.db2.gz VSQLDJIQOVNKDD-GFCCVEGCSA-N -1 3 385.428 0.202 20 30 GCEDHM CC(C)(C)C#CC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573793582 949303842 /nfs/dbraw/zinc/30/38/42/949303842.db2.gz VSQLDJIQOVNKDD-GFCCVEGCSA-N -1 3 385.428 0.202 20 30 GCEDHM C[C@H]1CCCN(C(=O)C#CC2CC2)[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576169417 949676165 /nfs/dbraw/zinc/67/61/65/949676165.db2.gz XVBFPTDZHJIHHL-LRDDRELGSA-N -1 3 381.440 0.965 20 30 GCEDHM C[C@H]1CCCN(C(=O)C#CC2CC2)[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576169417 949676178 /nfs/dbraw/zinc/67/61/78/949676178.db2.gz XVBFPTDZHJIHHL-LRDDRELGSA-N -1 3 381.440 0.965 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1c1ccnc(C#N)n1 ZINC001575882140 949757500 /nfs/dbraw/zinc/75/75/00/949757500.db2.gz GYXMAIKFNIIJJH-CMPLNLGQSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1c1ccnc(C#N)n1 ZINC001575882140 949757515 /nfs/dbraw/zinc/75/75/15/949757515.db2.gz GYXMAIKFNIIJJH-CMPLNLGQSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1c1cnc(C#N)cn1 ZINC001575882530 949777075 /nfs/dbraw/zinc/77/70/75/949777075.db2.gz MKMHECFIFRUQDI-MFKMUULPSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1c1cnc(C#N)cn1 ZINC001575882530 949777102 /nfs/dbraw/zinc/77/71/02/949777102.db2.gz MKMHECFIFRUQDI-MFKMUULPSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575886963 949890385 /nfs/dbraw/zinc/89/03/85/949890385.db2.gz NFGRKFJJVGLVPI-ZANVPECISA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575886963 949890402 /nfs/dbraw/zinc/89/04/02/949890402.db2.gz NFGRKFJJVGLVPI-ZANVPECISA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575889480 949930889 /nfs/dbraw/zinc/93/08/89/949930889.db2.gz SDLUHNZSMOVKMY-CABZTGNLSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575889480 949930905 /nfs/dbraw/zinc/93/09/05/949930905.db2.gz SDLUHNZSMOVKMY-CABZTGNLSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1CNc1ccnc(C#N)n1 ZINC001576180408 949955889 /nfs/dbraw/zinc/95/58/89/949955889.db2.gz HQXVVYLHUOFUSG-BXUZGUMPSA-N -1 3 392.427 0.631 20 30 GCEDHM C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1CNc1ccnc(C#N)n1 ZINC001576180408 949955911 /nfs/dbraw/zinc/95/59/11/949955911.db2.gz HQXVVYLHUOFUSG-BXUZGUMPSA-N -1 3 392.427 0.631 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1c1ccnc(C#N)n1 ZINC001575892089 950048403 /nfs/dbraw/zinc/04/84/03/950048403.db2.gz RKXJEQXYEJCKQG-GHMZBOCLSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1c1ccnc(C#N)n1 ZINC001575892089 950048432 /nfs/dbraw/zinc/04/84/32/950048432.db2.gz RKXJEQXYEJCKQG-GHMZBOCLSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1c1cnc(C#N)cn1 ZINC001575892139 950055916 /nfs/dbraw/zinc/05/59/16/950055916.db2.gz RZSPUEKPFIHGNJ-PWSUYJOCSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1c1cnc(C#N)cn1 ZINC001575892139 950055936 /nfs/dbraw/zinc/05/59/36/950055936.db2.gz RZSPUEKPFIHGNJ-PWSUYJOCSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1CNc1ccnc(C#N)n1 ZINC001576191002 950179467 /nfs/dbraw/zinc/17/94/67/950179467.db2.gz FSRYVIVLGKWLDL-YPMHNXCESA-N -1 3 392.427 0.489 20 30 GCEDHM C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1CNc1ccnc(C#N)n1 ZINC001576191002 950179480 /nfs/dbraw/zinc/17/94/80/950179480.db2.gz FSRYVIVLGKWLDL-YPMHNXCESA-N -1 3 392.427 0.489 20 30 GCEDHM C[C@@H](C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574527761 950903105 /nfs/dbraw/zinc/90/31/05/950903105.db2.gz GTYKEEFKDWAYJK-UWVGGRQHSA-N -1 3 381.400 0.721 20 30 GCEDHM C[C@@H](C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574527761 950903118 /nfs/dbraw/zinc/90/31/18/950903118.db2.gz GTYKEEFKDWAYJK-UWVGGRQHSA-N -1 3 381.400 0.721 20 30 GCEDHM C[C@@](CNc1cnc(C#N)cn1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575155885 952246195 /nfs/dbraw/zinc/24/61/95/952246195.db2.gz POFODADPSQOSKL-KRWDZBQOSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@@](CNc1cnc(C#N)cn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575155885 952246201 /nfs/dbraw/zinc/24/62/01/952246201.db2.gz POFODADPSQOSKL-KRWDZBQOSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1ccncc1N1CCN(C[C@H](O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001571120696 952507673 /nfs/dbraw/zinc/50/76/73/952507673.db2.gz PQURRPCDTNNDLC-SFHVURJKSA-N -1 3 376.424 0.989 20 30 GCEDHM N#Cc1ccc(NC[C@H]2CCC[C@H]2NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nn1 ZINC001571135674 952606823 /nfs/dbraw/zinc/60/68/23/952606823.db2.gz ATWSVZYYAAEFRY-ZWNOBZJWSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1ccc(NC[C@H]2CCC[C@H]2NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nn1 ZINC001571135674 952606826 /nfs/dbraw/zinc/60/68/26/952606826.db2.gz ATWSVZYYAAEFRY-ZWNOBZJWSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1ccc(NC[C@@H]2CCC[C@H]2NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nn1 ZINC001571135672 952606849 /nfs/dbraw/zinc/60/68/49/952606849.db2.gz ATWSVZYYAAEFRY-GXFFZTMASA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1ccc(NC[C@@H]2CCC[C@H]2NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nn1 ZINC001571135672 952606852 /nfs/dbraw/zinc/60/68/52/952606852.db2.gz ATWSVZYYAAEFRY-GXFFZTMASA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CN1c1cnc(C#N)cn1 ZINC001571135705 952607935 /nfs/dbraw/zinc/60/79/35/952607935.db2.gz BIWRPCQZPZLKOS-WDEREUQCSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CN1c1cnc(C#N)cn1 ZINC001571135705 952607937 /nfs/dbraw/zinc/60/79/37/952607937.db2.gz BIWRPCQZPZLKOS-WDEREUQCSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@@H]1Nc1nccnc1C#N ZINC001571135838 952609036 /nfs/dbraw/zinc/60/90/36/952609036.db2.gz FTORYKIDRZDFQT-QWRGUYRKSA-N -1 3 378.400 0.819 20 30 GCEDHM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@@H]1Nc1nccnc1C#N ZINC001571135838 952609038 /nfs/dbraw/zinc/60/90/38/952609038.db2.gz FTORYKIDRZDFQT-QWRGUYRKSA-N -1 3 378.400 0.819 20 30 GCEDHM C[C@H]1C[C@H](Nc2cncc(C#N)n2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571135849 952609197 /nfs/dbraw/zinc/60/91/97/952609197.db2.gz GDWVMIPPLGTKJV-CMPLNLGQSA-N -1 3 378.400 0.962 20 30 GCEDHM C[C@H]1C[C@H](Nc2cncc(C#N)n2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571135849 952609199 /nfs/dbraw/zinc/60/91/99/952609199.db2.gz GDWVMIPPLGTKJV-CMPLNLGQSA-N -1 3 378.400 0.962 20 30 GCEDHM N#Cc1nccnc1N1CCCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571136075 952611741 /nfs/dbraw/zinc/61/17/41/952611741.db2.gz LTTLMJHGXWGQBF-GFCCVEGCSA-N -1 3 378.400 0.645 20 30 GCEDHM N#Cc1nccnc1N1CCCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571136075 952611746 /nfs/dbraw/zinc/61/17/46/952611746.db2.gz LTTLMJHGXWGQBF-GFCCVEGCSA-N -1 3 378.400 0.645 20 30 GCEDHM N#Cc1nccnc1N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571136356 952612722 /nfs/dbraw/zinc/61/27/22/952612722.db2.gz ORNMWFDEUHBGIC-GFCCVEGCSA-N -1 3 378.400 0.645 20 30 GCEDHM N#Cc1nccnc1N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571136356 952612726 /nfs/dbraw/zinc/61/27/26/952612726.db2.gz ORNMWFDEUHBGIC-GFCCVEGCSA-N -1 3 378.400 0.645 20 30 GCEDHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCN(c2cnc(C#N)cn2)CC1 ZINC001571136589 952614613 /nfs/dbraw/zinc/61/46/13/952614613.db2.gz RYVARBMQLAIOKT-UHFFFAOYSA-N -1 3 378.400 0.597 20 30 GCEDHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCN(c2cnc(C#N)cn2)CC1 ZINC001571136589 952614615 /nfs/dbraw/zinc/61/46/15/952614615.db2.gz RYVARBMQLAIOKT-UHFFFAOYSA-N -1 3 378.400 0.597 20 30 GCEDHM N#Cc1ccc(NCC[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001571136604 952615126 /nfs/dbraw/zinc/61/51/26/952615126.db2.gz SNRITRYCFNQIEW-LLVKDONJSA-N -1 3 378.400 0.821 20 30 GCEDHM N#Cc1ccc(NCC[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001571136604 952615128 /nfs/dbraw/zinc/61/51/28/952615128.db2.gz SNRITRYCFNQIEW-LLVKDONJSA-N -1 3 378.400 0.821 20 30 GCEDHM C[C@]1(CNc2cncc(C#N)n2)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571136598 952615483 /nfs/dbraw/zinc/61/54/83/952615483.db2.gz SDYCGLSSUHOAEW-QGZVFWFLSA-N -1 3 378.400 0.821 20 30 GCEDHM C[C@]1(CNc2cncc(C#N)n2)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571136598 952615489 /nfs/dbraw/zinc/61/54/89/952615489.db2.gz SDYCGLSSUHOAEW-QGZVFWFLSA-N -1 3 378.400 0.821 20 30 GCEDHM C[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1c1ccnc(C#N)n1 ZINC001571136844 952616819 /nfs/dbraw/zinc/61/68/19/952616819.db2.gz XXFHAIWOUXECSV-JQWIXIFHSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1c1ccnc(C#N)n1 ZINC001571136844 952616820 /nfs/dbraw/zinc/61/68/20/952616820.db2.gz XXFHAIWOUXECSV-JQWIXIFHSA-N -1 3 378.400 0.644 20 30 GCEDHM N#Cc1ccc(NC[C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001571136994 952616930 /nfs/dbraw/zinc/61/69/30/952616930.db2.gz ZDKYBXBIHMWRDN-LLVKDONJSA-N -1 3 378.400 0.821 20 30 GCEDHM N#Cc1ccc(NC[C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001571136994 952616932 /nfs/dbraw/zinc/61/69/32/952616932.db2.gz ZDKYBXBIHMWRDN-LLVKDONJSA-N -1 3 378.400 0.821 20 30 GCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@@H]1Nc1nccnc1C#N ZINC001571136992 952617589 /nfs/dbraw/zinc/61/75/89/952617589.db2.gz ZANIKWDKKUXBRO-PWSUYJOCSA-N -1 3 378.400 0.819 20 30 GCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@@H]1Nc1nccnc1C#N ZINC001571136992 952617592 /nfs/dbraw/zinc/61/75/92/952617592.db2.gz ZANIKWDKKUXBRO-PWSUYJOCSA-N -1 3 378.400 0.819 20 30 GCEDHM N#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)[nH]1 ZINC001571139147 952619212 /nfs/dbraw/zinc/61/92/12/952619212.db2.gz CWCIRXVLKSKMKW-HOMQSWHASA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)[nH]1 ZINC001571139147 952619217 /nfs/dbraw/zinc/61/92/17/952619217.db2.gz CWCIRXVLKSKMKW-HOMQSWHASA-N -1 3 379.384 0.333 20 30 GCEDHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001571139402 952620384 /nfs/dbraw/zinc/62/03/84/952620384.db2.gz HCVOPOGGZCZUGU-SECBINFHSA-N -1 3 379.384 0.285 20 30 GCEDHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001571139402 952620385 /nfs/dbraw/zinc/62/03/85/952620385.db2.gz HCVOPOGGZCZUGU-SECBINFHSA-N -1 3 379.384 0.285 20 30 GCEDHM C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571139696 952622042 /nfs/dbraw/zinc/62/20/42/952622042.db2.gz KQVILKWDSHZEDT-VIFPVBQESA-N -1 3 379.384 0.285 20 30 GCEDHM C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571139696 952622044 /nfs/dbraw/zinc/62/20/44/952622044.db2.gz KQVILKWDSHZEDT-VIFPVBQESA-N -1 3 379.384 0.285 20 30 GCEDHM C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571141312 952632586 /nfs/dbraw/zinc/63/25/86/952632586.db2.gz XKYZYNFRSJUFPL-BXKDBHETSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571141312 952632587 /nfs/dbraw/zinc/63/25/87/952632587.db2.gz XKYZYNFRSJUFPL-BXKDBHETSA-N -1 3 379.384 0.428 20 30 GCEDHM C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)ccc1F ZINC001588847493 984364642 /nfs/dbraw/zinc/36/46/42/984364642.db2.gz ASBPUVXZXZAGJA-CYBMUJFWSA-N -1 3 399.444 0.378 20 30 GCEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCn1cc(C(=O)[O-])nn1 ZINC001598225577 990915301 /nfs/dbraw/zinc/91/53/01/990915301.db2.gz MQQPQEVSSDXBMI-UHFFFAOYSA-N -1 3 385.428 0.621 20 30 GCEDHM C[C@@H]1CSC[C@@H]1[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N ZINC000571343723 530115132 /nfs/dbraw/zinc/11/51/32/530115132.db2.gz IUNIJSSSDRPUNU-NEPJUHHUSA-N -1 3 389.524 0.860 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CSC[C@@H]1C ZINC000571416598 530119880 /nfs/dbraw/zinc/11/98/80/530119880.db2.gz GVGVSZTWSULTRC-SDDRHHMPSA-N -1 3 389.524 0.907 20 30 GCEDHM N#Cc1ccc(OCC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1Br ZINC000578023615 530123552 /nfs/dbraw/zinc/12/35/52/530123552.db2.gz PZFOFYGSKIKRKY-GFCCVEGCSA-N -1 3 393.197 0.462 20 30 GCEDHM COC(=O)[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000579550926 530188998 /nfs/dbraw/zinc/18/89/98/530188998.db2.gz FHMVAEQFGZZNQX-ZDUSSCGKSA-N -1 3 387.845 0.364 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@]1(C)CCCO1 ZINC000569500742 530237064 /nfs/dbraw/zinc/23/70/64/530237064.db2.gz AHVFSNADXYLWIH-SWLSCSKDSA-N -1 3 387.483 0.724 20 30 GCEDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)[C@@H](C)C#N)C1 ZINC000600760006 530242056 /nfs/dbraw/zinc/24/20/56/530242056.db2.gz GXKHCUCEEGSCAS-AVGNSLFASA-N -1 3 387.483 0.675 20 30 GCEDHM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)O1 ZINC000583452106 530274541 /nfs/dbraw/zinc/27/45/41/530274541.db2.gz SHJOBPYDUWLIED-STQMWFEESA-N -1 3 387.483 0.676 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H](O)[C@@H]1CCOC1 ZINC000561518231 530279732 /nfs/dbraw/zinc/27/97/32/530279732.db2.gz WKDJNWKYCZIDEO-SKDRFNHKSA-N -1 3 375.244 0.996 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](O)CS(=O)(=O)c2cccs2)s1 ZINC000435427734 530255404 /nfs/dbraw/zinc/25/54/04/530255404.db2.gz OJTBQBTVPFKLOB-VIFPVBQESA-N -1 3 392.505 0.794 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]CCNS(=O)(=O)c2cccs2)s1 ZINC000435444420 530255963 /nfs/dbraw/zinc/25/59/63/530255963.db2.gz XESDREVWSUFZGZ-UHFFFAOYSA-N -1 3 377.494 0.938 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000288052287 530258574 /nfs/dbraw/zinc/25/85/74/530258574.db2.gz IQHOTCDNYRGOAB-KWQFWETISA-N -1 3 388.243 0.632 20 30 GCEDHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@H](C#N)C2)c(OC)c1 ZINC000270508289 530260942 /nfs/dbraw/zinc/26/09/42/530260942.db2.gz OCXCQODBDQLARZ-GFCCVEGCSA-N -1 3 389.455 0.370 20 30 GCEDHM N#CC1(CS(=O)(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000274179357 530293635 /nfs/dbraw/zinc/29/36/35/530293635.db2.gz BFJSHUZWZFFXPK-UHFFFAOYSA-N -1 3 388.427 0.096 20 30 GCEDHM CN(C)S(=O)(=O)CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000289423860 530263853 /nfs/dbraw/zinc/26/38/53/530263853.db2.gz CKLJJLBMHAUSGB-UHFFFAOYSA-N -1 3 385.389 0.747 20 30 GCEDHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC(=O)NCC#N ZINC000586775346 530307853 /nfs/dbraw/zinc/30/78/53/530307853.db2.gz YPMMETVNSYUXGW-UHFFFAOYSA-N -1 3 376.232 0.766 20 30 GCEDHM C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000281480928 530359615 /nfs/dbraw/zinc/35/96/15/530359615.db2.gz VJHQRCWDBJCSOH-UHFFFAOYSA-N -1 3 395.384 0.675 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1(C)COC1 ZINC000582073966 530376176 /nfs/dbraw/zinc/37/61/76/530376176.db2.gz WRROIKSOUFHMQI-LBPRGKRZSA-N -1 3 387.483 0.534 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1(C)COC1 ZINC000582073965 530376245 /nfs/dbraw/zinc/37/62/45/530376245.db2.gz WRROIKSOUFHMQI-GFCCVEGCSA-N -1 3 387.483 0.534 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000594634107 530435725 /nfs/dbraw/zinc/43/57/25/530435725.db2.gz IEBJJNVLJOHVJA-CHWSQXEVSA-N -1 3 387.483 0.580 20 30 GCEDHM CN(C(C)(C)C#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCOC1 ZINC000594634147 530435773 /nfs/dbraw/zinc/43/57/73/530435773.db2.gz LHSKPJPAWSSKIV-LBPRGKRZSA-N -1 3 387.483 0.676 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCC1(CO)CCC1 ZINC000594634106 530435782 /nfs/dbraw/zinc/43/57/82/530435782.db2.gz IDWYAVJGMKTANA-LBPRGKRZSA-N -1 3 387.483 0.318 20 30 GCEDHM C[C@H](CO)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000594634004 530435817 /nfs/dbraw/zinc/43/58/17/530435817.db2.gz FBUWPRSFGJIYHM-ABAIWWIYSA-N -1 3 387.483 0.316 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1(CO)CC1 ZINC000594634028 530435855 /nfs/dbraw/zinc/43/58/55/530435855.db2.gz GYCOFLANCKXSTC-LBPRGKRZSA-N -1 3 387.483 0.270 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCOC[C@@H]1C ZINC000594635394 530436438 /nfs/dbraw/zinc/43/64/38/530436438.db2.gz AKEXIDSHUMWGJT-STQMWFEESA-N -1 3 387.483 0.676 20 30 GCEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCOC1 ZINC000594635407 530436691 /nfs/dbraw/zinc/43/66/91/530436691.db2.gz PVCHXTANKNKHFT-CYBMUJFWSA-N -1 3 387.483 0.882 20 30 GCEDHM C[C@H]1COCCCN1S(=O)(=O)CCCS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000594637362 530437159 /nfs/dbraw/zinc/43/71/59/530437159.db2.gz CGZDHTMJMUYRFT-DZGCQCFKSA-N -1 3 393.531 0.429 20 30 GCEDHM CCN(C[C@@H]1CCOC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000594636541 530437261 /nfs/dbraw/zinc/43/72/61/530437261.db2.gz YGZJRYRBNYSPRR-ZDUSSCGKSA-N -1 3 387.483 0.536 20 30 GCEDHM C[C@@H]1COCCCN1S(=O)(=O)CCCS(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000594637369 530437499 /nfs/dbraw/zinc/43/74/99/530437499.db2.gz FKOYKNYJUJCUFC-ZIAGYGMSSA-N -1 3 395.547 0.675 20 30 GCEDHM C[C@@H]1COCCCN1S(=O)(=O)CCCS(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000594637367 530437644 /nfs/dbraw/zinc/43/76/44/530437644.db2.gz FKOYKNYJUJCUFC-KGLIPLIRSA-N -1 3 395.547 0.675 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C2CCC1CC2 ZINC000594637896 530437656 /nfs/dbraw/zinc/43/76/56/530437656.db2.gz SICIVTFTTFZGDH-SSDMNJCBSA-N -1 3 375.516 0.945 20 30 GCEDHM CSCCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000594633296 530434961 /nfs/dbraw/zinc/43/49/61/530434961.db2.gz FNYGHXYQMWCELD-UHFFFAOYSA-N -1 3 375.497 0.662 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CC[C@H](O)C1 ZINC000594633773 530435319 /nfs/dbraw/zinc/43/53/19/530435319.db2.gz HLTQNCKVPXQEEO-XQQFMLRXSA-N -1 3 387.483 0.316 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]1[C@H](C)O ZINC000595958943 530450962 /nfs/dbraw/zinc/45/09/62/530450962.db2.gz KIQXIYBFZUBSQO-RWMBFGLXSA-N -1 3 387.483 0.411 20 30 GCEDHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N([C@@H](C)C#N)C2CC2)s1 ZINC000598128708 530461789 /nfs/dbraw/zinc/46/17/89/530461789.db2.gz OLVYIJJUNVIDQV-JTQLQIEISA-N -1 3 384.483 0.566 20 30 GCEDHM COCC[C@H](C)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N ZINC000416397857 530507515 /nfs/dbraw/zinc/50/75/15/530507515.db2.gz BSADJBARQLFPDB-ZDUSSCGKSA-N -1 3 389.499 0.782 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCCS1 ZINC000563432033 530526030 /nfs/dbraw/zinc/52/60/30/530526030.db2.gz WPTHHWACWQISMR-LLVKDONJSA-N -1 3 375.497 0.662 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](C)C#N ZINC000566487705 530530298 /nfs/dbraw/zinc/53/02/98/530530298.db2.gz BMPHHVGVAZZAKH-CHWSQXEVSA-N -1 3 384.483 0.951 20 30 GCEDHM N#CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)NC2(CCO)CC2)CC1 ZINC000566487681 530530557 /nfs/dbraw/zinc/53/05/57/530530557.db2.gz AMQYQZXGXAEEOG-UHFFFAOYSA-N -1 3 385.467 0.214 20 30 GCEDHM C[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000566488573 530530743 /nfs/dbraw/zinc/53/07/43/530530743.db2.gz HXHYEIRGQWJRDK-RYUDHWBXSA-N -1 3 387.483 0.411 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(CCO)CC1 ZINC000566985741 530536574 /nfs/dbraw/zinc/53/65/74/530536574.db2.gz WMFKPKCYRQFZCC-GFCCVEGCSA-N -1 3 387.483 0.412 20 30 GCEDHM N#C[C@]1(NC(=O)C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCOC1 ZINC000567950074 530550524 /nfs/dbraw/zinc/55/05/24/530550524.db2.gz CVIKLGDZXKYGQS-CYBMUJFWSA-N -1 3 377.344 0.783 20 30 GCEDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)s1 ZINC000331139217 530539242 /nfs/dbraw/zinc/53/92/42/530539242.db2.gz WOWYBWGNKGMBSW-SNVBAGLBSA-N -1 3 395.528 0.437 20 30 GCEDHM CC[C@H](O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C(C)(C)C#N ZINC000567487095 530543103 /nfs/dbraw/zinc/54/31/03/530543103.db2.gz AGWRLFHXECPNDR-LBPRGKRZSA-N -1 3 389.499 0.658 20 30 GCEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1)c1ccon1 ZINC000568252295 530555646 /nfs/dbraw/zinc/55/56/46/530555646.db2.gz NMRVCAGWIGCPHV-LLVKDONJSA-N -1 3 384.439 0.858 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCCOC1 ZINC000568255798 530556730 /nfs/dbraw/zinc/55/67/30/530556730.db2.gz DDGQZHGUFHYMSQ-STQMWFEESA-N -1 3 387.483 0.582 20 30 GCEDHM C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000282625028 530559519 /nfs/dbraw/zinc/55/95/19/530559519.db2.gz SIQFMWWONBTVKL-UHFFFAOYSA-N -1 3 391.862 0.399 20 30 GCEDHM C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000282625028 530559520 /nfs/dbraw/zinc/55/95/20/530559520.db2.gz SIQFMWWONBTVKL-UHFFFAOYSA-N -1 3 391.862 0.399 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1(C#N)CC1 ZINC000568646481 530562130 /nfs/dbraw/zinc/56/21/30/530562130.db2.gz HGRQWMGLUCSTAU-GFCCVEGCSA-N -1 3 382.467 0.801 20 30 GCEDHM C=C[C@H](CO)NC(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000290692069 530564538 /nfs/dbraw/zinc/56/45/38/530564538.db2.gz VAAABKOQWDMQMO-DGCLKSJQSA-N -1 3 376.475 0.889 20 30 GCEDHM CCS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000438904430 530572625 /nfs/dbraw/zinc/57/26/25/530572625.db2.gz UIVGYFXMYHVWCS-UHFFFAOYSA-N -1 3 377.875 0.771 20 30 GCEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000573339093 530579070 /nfs/dbraw/zinc/57/90/70/530579070.db2.gz DDFHMYHJSLPNGS-YABSGUDNSA-N -1 3 385.467 0.190 20 30 GCEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCC1(C#N)CC1 ZINC000583575632 530582403 /nfs/dbraw/zinc/58/24/03/530582403.db2.gz MZWDTZRGPIKXFC-UHFFFAOYSA-N -1 3 382.467 0.849 20 30 GCEDHM Cc1cc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)CC#N)cc2)no1 ZINC000574585097 530592358 /nfs/dbraw/zinc/59/23/58/530592358.db2.gz SLNMEFVLOSXZOQ-UHFFFAOYSA-N -1 3 384.439 0.606 20 30 GCEDHM CC#CC[C@H](CO)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000645492269 530604523 /nfs/dbraw/zinc/60/45/23/530604523.db2.gz OPARIKMEQYMRCL-GFCCVEGCSA-N -1 3 375.397 0.317 20 30 GCEDHM C=CCOC[C@H]1NC(=O)N(CC[N-]S(=O)(=O)c2ccc(Cl)s2)C1=O ZINC000348626657 530633563 /nfs/dbraw/zinc/63/35/63/530633563.db2.gz SEMHMWWHQAFSMU-SECBINFHSA-N -1 3 393.874 0.803 20 30 GCEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@](C)(F)C1 ZINC000349461614 530640258 /nfs/dbraw/zinc/64/02/58/530640258.db2.gz KGFUHTWLRFJCJW-GXTWGEPZSA-N -1 3 383.511 0.998 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCO[C@@H](C)C1 ZINC000349464778 530641757 /nfs/dbraw/zinc/64/17/57/530641757.db2.gz CFPRMWFOLRQLLO-STQMWFEESA-N -1 3 387.483 0.676 20 30 GCEDHM CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CO[C@H](C)C1 ZINC000577124627 530616805 /nfs/dbraw/zinc/61/68/05/530616805.db2.gz GTTHYFOFGSZNPK-CHWSQXEVSA-N -1 3 387.483 0.676 20 30 GCEDHM CN(CCC#N)C[C@@H](O)CNCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000577275276 530619240 /nfs/dbraw/zinc/61/92/40/530619240.db2.gz RZAMUHCNCCGXPK-NSHDSACASA-N -1 3 380.923 0.476 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000349472645 530645141 /nfs/dbraw/zinc/64/51/41/530645141.db2.gz GOQDQESCVKDVDT-DVOMOZLQSA-N -1 3 389.543 0.906 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H]1CO ZINC000349474425 530646220 /nfs/dbraw/zinc/64/62/20/530646220.db2.gz VABBUNBICJDPFP-STQMWFEESA-N -1 3 387.483 0.412 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H]1CCOC1 ZINC000349474457 530646425 /nfs/dbraw/zinc/64/64/25/530646425.db2.gz VJMLHJQMYAHWPA-STQMWFEESA-N -1 3 387.483 0.676 20 30 GCEDHM C[C@@H]1CSCCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C1 ZINC000349476878 530647480 /nfs/dbraw/zinc/64/74/80/530647480.db2.gz DHUYGTDJALNKAM-LBPRGKRZSA-N -1 3 389.524 0.862 20 30 GCEDHM COC1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-][C@H](C#N)C(C)C)C1 ZINC000349478474 530648031 /nfs/dbraw/zinc/64/80/31/530648031.db2.gz GVXQCSQCRAPLEM-CYBMUJFWSA-N -1 3 387.483 0.532 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]1CCO ZINC000349479414 530648663 /nfs/dbraw/zinc/64/86/63/530648663.db2.gz JCWHFXMYHDSDQP-QWHCGFSZSA-N -1 3 387.483 0.412 20 30 GCEDHM CC[C@H](CO)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349479747 530648907 /nfs/dbraw/zinc/64/89/07/530648907.db2.gz JOWDZKIQCRVQCG-GFCCVEGCSA-N -1 3 387.483 0.412 20 30 GCEDHM CCOC1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-][C@H](C#N)CC)C1 ZINC000349480935 530649454 /nfs/dbraw/zinc/64/94/54/530649454.db2.gz LVBYKHPNZJPFRP-LBPRGKRZSA-N -1 3 387.483 0.676 20 30 GCEDHM CN(C[C@H]1CCC[C@H]1O)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349480810 530649544 /nfs/dbraw/zinc/64/95/44/530649544.db2.gz LKWJCPVMHKNVQD-CHWSQXEVSA-N -1 3 387.483 0.270 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCOC1 ZINC000349481505 530650035 /nfs/dbraw/zinc/65/00/35/530650035.db2.gz NGJVOIYCHIILKA-CYBMUJFWSA-N -1 3 387.483 0.882 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCOC1 ZINC000349481506 530650306 /nfs/dbraw/zinc/65/03/06/530650306.db2.gz NGJVOIYCHIILKA-ZDUSSCGKSA-N -1 3 387.483 0.882 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@]1(C)CO ZINC000349483167 530650873 /nfs/dbraw/zinc/65/08/73/530650873.db2.gz VPYJDFWCRADNPX-SWLSCSKDSA-N -1 3 387.483 0.412 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H](O)CC1 ZINC000349482221 530650916 /nfs/dbraw/zinc/65/09/16/530650916.db2.gz QVBOZWPTDVNJNL-QWHCGFSZSA-N -1 3 387.483 0.412 20 30 GCEDHM CCOC[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C1 ZINC000349482836 530651045 /nfs/dbraw/zinc/65/10/45/530651045.db2.gz UBPOOFLRWNOSKO-CYBMUJFWSA-N -1 3 387.483 0.536 20 30 GCEDHM CC[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CCCO1 ZINC000349483497 530651507 /nfs/dbraw/zinc/65/15/07/530651507.db2.gz VVLUGEPBRQZXHQ-CYBMUJFWSA-N -1 3 387.483 0.678 20 30 GCEDHM CO[C@@H](C)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349484751 530651562 /nfs/dbraw/zinc/65/15/62/530651562.db2.gz YYRIFVLRSQRHBS-LBPRGKRZSA-N -1 3 387.483 0.676 20 30 GCEDHM CS[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)C1 ZINC000349490232 530654766 /nfs/dbraw/zinc/65/47/66/530654766.db2.gz GPUCUIUVUXUVJI-JSGCOSHPSA-N -1 3 395.572 0.755 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C ZINC000349496295 530657634 /nfs/dbraw/zinc/65/76/34/530657634.db2.gz GWFXWILEUPFIFT-QWHCGFSZSA-N -1 3 383.561 0.611 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCS[C@H](C)[C@@H]1C ZINC000349514629 530667956 /nfs/dbraw/zinc/66/79/56/530667956.db2.gz VMZTYQPSGACRGO-BFHYXJOUSA-N -1 3 397.588 1.000 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000349514633 530667980 /nfs/dbraw/zinc/66/79/80/530667980.db2.gz VMZTYQPSGACRGO-IHRRRGAJSA-N -1 3 397.588 1.000 20 30 GCEDHM C[C@@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1F ZINC000349517586 530669835 /nfs/dbraw/zinc/66/98/35/530669835.db2.gz LPOSFLUCXULVQX-NSHDSACASA-N -1 3 378.451 0.774 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCOCC1 ZINC000349527344 530673550 /nfs/dbraw/zinc/67/35/50/530673550.db2.gz VLCJYVBDHJJVLW-CQSZACIVSA-N -1 3 379.504 0.040 20 30 GCEDHM CN([C@H]1CCSC1)S(=O)(=O)CCCS(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000349531812 530675507 /nfs/dbraw/zinc/67/55/07/530675507.db2.gz NBFSLKGUDCFYMW-JSGCOSHPSA-N -1 3 395.572 0.755 20 30 GCEDHM N#CC[C@@H]1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccnnc2)C1 ZINC000349531985 530675580 /nfs/dbraw/zinc/67/55/80/530675580.db2.gz ASXNNSUSEYCYIK-STQMWFEESA-N -1 3 387.487 0.610 20 30 GCEDHM N#Cc1cc(Br)cc(S(=O)(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)c1 ZINC000545368806 530676233 /nfs/dbraw/zinc/67/62/33/530676233.db2.gz ZIDAHHQERQURBU-NSHDSACASA-N -1 3 399.226 0.245 20 30 GCEDHM COC(=O)CN(CC#N)C(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000609992199 530689544 /nfs/dbraw/zinc/68/95/44/530689544.db2.gz BOLGTWRHOPBXLX-UHFFFAOYSA-N -1 3 375.353 0.158 20 30 GCEDHM C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)CO1 ZINC000349576522 530701660 /nfs/dbraw/zinc/70/16/60/530701660.db2.gz PVRBGYOHQXUARN-MBNYWOFBSA-N -1 3 379.504 0.085 20 30 GCEDHM CC[C@H](O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C#N ZINC000580785066 530750472 /nfs/dbraw/zinc/75/04/72/530750472.db2.gz NGLANBALHCYSOG-RYUDHWBXSA-N -1 3 375.472 0.268 20 30 GCEDHM CC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N)[C@H](C)O ZINC000581022879 530753115 /nfs/dbraw/zinc/75/31/15/530753115.db2.gz MUCDEEOHLLCAGO-NWDGAFQWSA-N -1 3 389.499 0.705 20 30 GCEDHM CC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N)[C@@H](C)O ZINC000581022881 530753341 /nfs/dbraw/zinc/75/33/41/530753341.db2.gz MUCDEEOHLLCAGO-VXGBXAGGSA-N -1 3 389.499 0.705 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](F)C1 ZINC000581199167 530755116 /nfs/dbraw/zinc/75/51/16/530755116.db2.gz AYCIVVLAVNKYPY-VXGBXAGGSA-N -1 3 375.447 1.000 20 30 GCEDHM CO[C@H](C)[C@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000579732973 530746544 /nfs/dbraw/zinc/74/65/44/530746544.db2.gz FMJLCZNXDAIZDZ-SDDRHHMPSA-N -1 3 375.472 0.579 20 30 GCEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1)C(=O)OC ZINC000481615282 530780231 /nfs/dbraw/zinc/78/02/31/530780231.db2.gz WPQMAAYCAOGFGK-ZDUSSCGKSA-N -1 3 375.374 0.635 20 30 GCEDHM C=CCOC[C@@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)C(=O)OC ZINC000481760526 530780604 /nfs/dbraw/zinc/78/06/04/530780604.db2.gz FTNSPJVHELFXPT-GHMZBOCLSA-N -1 3 376.456 0.275 20 30 GCEDHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2CC[C@](F)(C#N)C2)s1 ZINC000615825911 530781295 /nfs/dbraw/zinc/78/12/95/530781295.db2.gz OQJUWZLWMYEMMS-AWEZNQCLSA-N -1 3 388.446 0.127 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc([O-])c(Br)c2)C1=O ZINC000488681004 530818479 /nfs/dbraw/zinc/81/84/79/530818479.db2.gz ZFYKWIWHQDZSBD-UHFFFAOYSA-N -1 3 396.197 0.748 20 30 GCEDHM N#C[C@]1(F)CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000619671217 530822088 /nfs/dbraw/zinc/82/20/88/530822088.db2.gz VUWPSZXYDZSTBA-CQSZACIVSA-N -1 3 376.360 0.890 20 30 GCEDHM CS(=O)(=O)NCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416372314 530846856 /nfs/dbraw/zinc/84/68/56/530846856.db2.gz KIFNPMZRMFDQKX-UHFFFAOYSA-N -1 3 382.261 0.148 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCC[C@@H]1CCCCO1 ZINC000582856803 530856209 /nfs/dbraw/zinc/85/62/09/530856209.db2.gz GHZPMBUEZKONGG-ZDUSSCGKSA-N -1 3 387.483 0.726 20 30 GCEDHM CCNS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428393821 530897922 /nfs/dbraw/zinc/89/79/22/530897922.db2.gz PRXHIUSNJGMDFP-UHFFFAOYSA-N -1 3 380.451 0.730 20 30 GCEDHM N#CC1([N-]S(=O)(=O)CCCS(=O)(=O)N2CCSCC2)CCCCC1 ZINC000349534374 530899201 /nfs/dbraw/zinc/89/92/01/530899201.db2.gz SHGUDZXQMLIGND-UHFFFAOYSA-N -1 3 395.572 0.901 20 30 GCEDHM N#CC1(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2ncccc2F)CCC1 ZINC000349542761 530902001 /nfs/dbraw/zinc/90/20/01/530902001.db2.gz NWPJYBTWMQJKJC-UHFFFAOYSA-N -1 3 390.462 0.966 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CC[C@H](F)C1 ZINC000349560165 530906093 /nfs/dbraw/zinc/90/60/93/530906093.db2.gz YGLYECKGFVPZEU-SGMGOOAPSA-N -1 3 381.495 0.798 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(C)(O)C1 ZINC000349479140 530876246 /nfs/dbraw/zinc/87/62/46/530876246.db2.gz IHIKZEAAVRHDIY-GFCCVEGCSA-N -1 3 387.483 0.268 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](C)[C@@H]1CO ZINC000349480690 530876967 /nfs/dbraw/zinc/87/69/67/530876967.db2.gz LIIWWYYQMPQPGK-AGIUHOORSA-N -1 3 387.483 0.268 20 30 GCEDHM CCn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)cn1 ZINC000349480473 530877034 /nfs/dbraw/zinc/87/70/34/530877034.db2.gz XTIYJOJMMZXKTG-UHFFFAOYSA-N -1 3 375.476 0.210 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](C)[C@H]1CO ZINC000349480694 530877119 /nfs/dbraw/zinc/87/71/19/530877119.db2.gz LIIWWYYQMPQPGK-RWMBFGLXSA-N -1 3 387.483 0.268 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@](F)(C#N)C1 ZINC000349481614 530877592 /nfs/dbraw/zinc/87/75/92/530877592.db2.gz NVEJKXSHAZIIDH-FZMZJTMJSA-N -1 3 386.430 0.503 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C[C@@H](O)C1CC1 ZINC000349483003 530877699 /nfs/dbraw/zinc/87/76/99/530877699.db2.gz UPQBZLBLLFFGPV-WCQYABFASA-N -1 3 387.483 0.268 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCc2n[nH]cc21 ZINC000349494094 530880428 /nfs/dbraw/zinc/88/04/28/530880428.db2.gz NLALRKGROWAZLZ-CYBMUJFWSA-N -1 3 389.503 0.350 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000349529461 530880670 /nfs/dbraw/zinc/88/06/70/530880670.db2.gz ZUKWIYFBUBPFRG-HZSPNIEDSA-N -1 3 397.588 1.000 20 30 GCEDHM CN([C@@H]1CCCOC1)S(=O)(=O)CCCS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000349495116 530880950 /nfs/dbraw/zinc/88/09/50/530880950.db2.gz LXMIUODUBNXBJN-UKRRQHHQSA-N -1 3 393.531 0.429 20 30 GCEDHM N#C[C@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccnc2)C1 ZINC000349495598 530881334 /nfs/dbraw/zinc/88/13/34/530881334.db2.gz MDZPYUUFAWHEKA-CYBMUJFWSA-N -1 3 376.435 0.481 20 30 GCEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000370982054 530888789 /nfs/dbraw/zinc/88/87/89/530888789.db2.gz IMRRXMBHPQGOHA-BJOHPYRUSA-N -1 3 382.829 0.868 20 30 GCEDHM C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000349465175 530889807 /nfs/dbraw/zinc/88/98/07/530889807.db2.gz OUAFTYZVQCLSMY-UPJWGTAASA-N -1 3 381.520 0.019 20 30 GCEDHM CO[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349468364 530890383 /nfs/dbraw/zinc/89/03/83/530890383.db2.gz IWKAWCXTYZXUEU-CHWSQXEVSA-N -1 3 387.483 0.724 20 30 GCEDHM C[C@H]1SCC[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349468698 530890577 /nfs/dbraw/zinc/89/05/77/530890577.db2.gz JELVCFVCHFPCAS-GHMZBOCLSA-N -1 3 375.497 0.661 20 30 GCEDHM C[C@@H]1SCC[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349468701 530891220 /nfs/dbraw/zinc/89/12/20/530891220.db2.gz JELVCFVCHFPCAS-WDEREUQCSA-N -1 3 375.497 0.661 20 30 GCEDHM CN1C(=O)CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2C#N)C1=O ZINC000425222429 530891778 /nfs/dbraw/zinc/89/17/78/530891778.db2.gz LVPAWGLUZKBYMR-JTQLQIEISA-N -1 3 386.227 0.746 20 30 GCEDHM CCn1cc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)cn1 ZINC000349607382 530911366 /nfs/dbraw/zinc/91/13/66/530911366.db2.gz ZNAUEUKRGRXIGW-UHFFFAOYSA-N -1 3 375.476 0.210 20 30 GCEDHM CC1(C#N)CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ncccc2F)C1 ZINC000349610084 530911899 /nfs/dbraw/zinc/91/18/99/530911899.db2.gz IWPWSOOUEALPNY-UHFFFAOYSA-N -1 3 390.462 0.918 20 30 GCEDHM N#Cc1ncccc1S(=O)(=O)[N-]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000277189908 530913146 /nfs/dbraw/zinc/91/31/46/530913146.db2.gz OMHFFIPQCNYBBW-UHFFFAOYSA-N -1 3 398.388 0.546 20 30 GCEDHM N#C[C@@]1(F)CCN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2cccnc2)C1 ZINC000349623827 530913493 /nfs/dbraw/zinc/91/34/93/530913493.db2.gz TUAVSQXJIYAHNG-AWEZNQCLSA-N -1 3 390.462 0.871 20 30 GCEDHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCCS(=O)(=O)N1CC[C@@](F)(C#N)C1 ZINC000349629326 530913824 /nfs/dbraw/zinc/91/38/24/530913824.db2.gz XQAYFHIUYBEKON-CYBMUJFWSA-N -1 3 393.466 0.507 20 30 GCEDHM CO[C@@H]1C[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C1(C)C ZINC000584480892 530916026 /nfs/dbraw/zinc/91/60/26/530916026.db2.gz RSRAQAFBZQZVHL-UONOGXRCSA-N -1 3 387.483 0.580 20 30 GCEDHM CCN(CC)S(=O)(=O)CC[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000500932227 530927973 /nfs/dbraw/zinc/92/79/73/530927973.db2.gz XZDATBBEFZVBQG-UHFFFAOYSA-N -1 3 377.463 0.788 20 30 GCEDHM COC(=O)CCN1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1=O ZINC000501193673 530928590 /nfs/dbraw/zinc/92/85/90/530928590.db2.gz XYPPWJWMLMAAHH-LBPRGKRZSA-N -1 3 385.829 0.654 20 30 GCEDHM COC(=O)CCN1CC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1=O ZINC000501193672 530928834 /nfs/dbraw/zinc/92/88/34/530928834.db2.gz XYPPWJWMLMAAHH-GFCCVEGCSA-N -1 3 385.829 0.654 20 30 GCEDHM Cc1cc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)n(CCC#N)n1 ZINC000521010798 530963899 /nfs/dbraw/zinc/96/38/99/530963899.db2.gz GXFANXYSSGSZGJ-UHFFFAOYSA-N -1 3 381.190 0.769 20 30 GCEDHM CS(=O)(=O)N1CC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000269843093 530948934 /nfs/dbraw/zinc/94/89/34/530948934.db2.gz CQUQHKVZIXIZDT-JTQLQIEISA-N -1 3 377.875 0.771 20 30 GCEDHM CS(=O)(=O)N1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503707924 530951241 /nfs/dbraw/zinc/95/12/41/530951241.db2.gz KXYCOUWMIHEVIM-LLVKDONJSA-N -1 3 377.875 0.914 20 30 GCEDHM CCC1(CNS(=O)(=O)c2ccccc2S(=O)(=O)[N-][C@@H](C)C#N)COC1 ZINC000516980958 530957052 /nfs/dbraw/zinc/95/70/52/530957052.db2.gz GPQKGOISDBNPEQ-LBPRGKRZSA-N -1 3 387.483 0.582 20 30 GCEDHM N#CCN1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1 ZINC000611233544 530979973 /nfs/dbraw/zinc/97/99/73/530979973.db2.gz XLHRQQGDWIBNIX-UHFFFAOYSA-N -1 3 386.861 0.470 20 30 GCEDHM C#CCCN1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000269361410 531005704 /nfs/dbraw/zinc/00/57/04/531005704.db2.gz VVAATCPOYAOAGU-UHFFFAOYSA-N -1 3 389.474 0.527 20 30 GCEDHM CC#CC[C@H](CO)NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000649188959 531073700 /nfs/dbraw/zinc/07/37/00/531073700.db2.gz VVMNVVUYZNHFKQ-SECBINFHSA-N -1 3 395.300 0.679 20 30 GCEDHM CO[C@H](C)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000514799573 531083916 /nfs/dbraw/zinc/08/39/16/531083916.db2.gz YDDHPMDABOLZRN-GFCCVEGCSA-N -1 3 389.499 0.922 20 30 GCEDHM C[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]C(C)(C)C#N)CO1 ZINC000515313035 531087971 /nfs/dbraw/zinc/08/79/71/531087971.db2.gz YITRHIPECBBSCW-VXGBXAGGSA-N -1 3 387.483 0.723 20 30 GCEDHM N#CCNC(=O)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000553650719 531155030 /nfs/dbraw/zinc/15/50/30/531155030.db2.gz YQKCWSFNINOLMY-UHFFFAOYSA-N -1 3 398.491 0.658 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000572542861 531160772 /nfs/dbraw/zinc/16/07/72/531160772.db2.gz PCXYFDFOVSJWLN-QWHCGFSZSA-N -1 3 387.483 0.318 20 30 GCEDHM N#C[C@@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)CCO1 ZINC000442602603 531188192 /nfs/dbraw/zinc/18/81/92/531188192.db2.gz VXMILTLSPIYGBT-LLVKDONJSA-N -1 3 390.824 0.691 20 30 GCEDHM N#CCC1(O)CN(C(=O)C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000565807957 531190512 /nfs/dbraw/zinc/19/05/12/531190512.db2.gz XHRCCIDQDNMPSP-UHFFFAOYSA-N -1 3 377.344 0.471 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCN1C(=O)CNC1=O ZINC000735418489 598853167 /nfs/dbraw/zinc/85/31/67/598853167.db2.gz FXTDUNBXBJVFEU-UHFFFAOYSA-N -1 3 384.400 0.116 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCN1C(=O)CNC1=O ZINC000735418489 598853168 /nfs/dbraw/zinc/85/31/68/598853168.db2.gz FXTDUNBXBJVFEU-UHFFFAOYSA-N -1 3 384.400 0.116 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)CS(C)(=O)=O ZINC000735418578 598853498 /nfs/dbraw/zinc/85/34/98/598853498.db2.gz HDCHRPROTDOSLS-GFCCVEGCSA-N -1 3 378.458 0.997 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)CS(C)(=O)=O ZINC000735418578 598853500 /nfs/dbraw/zinc/85/35/00/598853500.db2.gz HDCHRPROTDOSLS-GFCCVEGCSA-N -1 3 378.458 0.997 20 30 GCEDHM CCC[C@H](C#N)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736414934 598867195 /nfs/dbraw/zinc/86/71/95/598867195.db2.gz AZIDGSHMGNJKNR-OCCSQVGLSA-N -1 3 396.411 0.880 20 30 GCEDHM CCC[C@H](C#N)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736414934 598867197 /nfs/dbraw/zinc/86/71/97/598867197.db2.gz AZIDGSHMGNJKNR-OCCSQVGLSA-N -1 3 396.411 0.880 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CCN1C1CC1 ZINC000737681303 598874857 /nfs/dbraw/zinc/87/48/57/598874857.db2.gz BSWCCXBPPRNBHZ-LBPRGKRZSA-N -1 3 377.405 0.367 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CCN1C1CC1 ZINC000737681303 598874858 /nfs/dbraw/zinc/87/48/58/598874858.db2.gz BSWCCXBPPRNBHZ-LBPRGKRZSA-N -1 3 377.405 0.367 20 30 GCEDHM C#CCSCCNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735388360 598889476 /nfs/dbraw/zinc/88/94/76/598889476.db2.gz ZXHZHNJTPINOOD-UHFFFAOYSA-N -1 3 386.485 0.896 20 30 GCEDHM C#CCSCCNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735388360 598889478 /nfs/dbraw/zinc/88/94/78/598889478.db2.gz ZXHZHNJTPINOOD-UHFFFAOYSA-N -1 3 386.485 0.896 20 30 GCEDHM CN(CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)S(=O)(=O)c1cccnc1 ZINC000736788663 598920971 /nfs/dbraw/zinc/92/09/71/598920971.db2.gz VVQCPYSHEILYAT-UHFFFAOYSA-N -1 3 398.408 0.393 20 30 GCEDHM CN(CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)S(=O)(=O)c1cccnc1 ZINC000736788663 598920973 /nfs/dbraw/zinc/92/09/73/598920973.db2.gz VVQCPYSHEILYAT-UHFFFAOYSA-N -1 3 398.408 0.393 20 30 GCEDHM N#Cc1cc(NC(=O)CCn2nnc3ccccc3c2=O)ccc1-c1nnn[n-]1 ZINC000737709159 598921627 /nfs/dbraw/zinc/92/16/27/598921627.db2.gz KBFRUBDRGLLNII-UHFFFAOYSA-N -1 3 387.363 0.872 20 30 GCEDHM N#Cc1cc(NC(=O)CCn2nnc3ccccc3c2=O)ccc1-c1nn[n-]n1 ZINC000737709159 598921628 /nfs/dbraw/zinc/92/16/28/598921628.db2.gz KBFRUBDRGLLNII-UHFFFAOYSA-N -1 3 387.363 0.872 20 30 GCEDHM N#Cc1ccc(NC(=O)CCn2nnc3ccccc3c2=O)cc1-c1nnn[n-]1 ZINC000737716804 598921729 /nfs/dbraw/zinc/92/17/29/598921729.db2.gz VCEDLCAPKFRWTF-UHFFFAOYSA-N -1 3 387.363 0.872 20 30 GCEDHM N#Cc1ccc(NC(=O)CCn2nnc3ccccc3c2=O)cc1-c1nn[n-]n1 ZINC000737716804 598921731 /nfs/dbraw/zinc/92/17/31/598921731.db2.gz VCEDLCAPKFRWTF-UHFFFAOYSA-N -1 3 387.363 0.872 20 30 GCEDHM CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736498501 598927861 /nfs/dbraw/zinc/92/78/61/598927861.db2.gz UGTZKDBDDFOYKC-AWEZNQCLSA-N -1 3 389.441 0.881 20 30 GCEDHM CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736498501 598927862 /nfs/dbraw/zinc/92/78/62/598927862.db2.gz UGTZKDBDDFOYKC-AWEZNQCLSA-N -1 3 389.441 0.881 20 30 GCEDHM COC(=O)c1cc(C#N)c(=O)n(CCOc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000736941810 598937769 /nfs/dbraw/zinc/93/77/69/598937769.db2.gz VWXJDOSPPMIZMY-UHFFFAOYSA-N -1 3 396.363 0.774 20 30 GCEDHM COC(=O)c1cc(C#N)c(=O)n(CCOc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000736941810 598937770 /nfs/dbraw/zinc/93/77/70/598937770.db2.gz VWXJDOSPPMIZMY-UHFFFAOYSA-N -1 3 396.363 0.774 20 30 GCEDHM C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000735415982 598999936 /nfs/dbraw/zinc/99/99/36/598999936.db2.gz BMLHNTGJJJRLIW-CYBMUJFWSA-N -1 3 397.482 0.539 20 30 GCEDHM C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000735415982 598999939 /nfs/dbraw/zinc/99/99/39/598999939.db2.gz BMLHNTGJJJRLIW-CYBMUJFWSA-N -1 3 397.482 0.539 20 30 GCEDHM N#Cc1cccnc1N1CCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737727023 599067962 /nfs/dbraw/zinc/06/79/62/599067962.db2.gz BSEABAGPDMTHRD-MRXNPFEDSA-N -1 3 389.423 0.482 20 30 GCEDHM N#Cc1cccnc1N1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737727023 599067967 /nfs/dbraw/zinc/06/79/67/599067967.db2.gz BSEABAGPDMTHRD-MRXNPFEDSA-N -1 3 389.423 0.482 20 30 GCEDHM N#Cc1ccc(N2CCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)nc1 ZINC000737719945 599070634 /nfs/dbraw/zinc/07/06/34/599070634.db2.gz YWKTWGZOTHLHNV-KRWDZBQOSA-N -1 3 389.423 0.482 20 30 GCEDHM N#Cc1ccc(N2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)nc1 ZINC000737719945 599070637 /nfs/dbraw/zinc/07/06/37/599070637.db2.gz YWKTWGZOTHLHNV-KRWDZBQOSA-N -1 3 389.423 0.482 20 30 GCEDHM N#Cc1ccc(NCC(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737717920 599122847 /nfs/dbraw/zinc/12/28/47/599122847.db2.gz CDSQQOBJMXZAGT-MRXNPFEDSA-N -1 3 377.364 0.920 20 30 GCEDHM N#Cc1ccc(NCC(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737717920 599122849 /nfs/dbraw/zinc/12/28/49/599122849.db2.gz CDSQQOBJMXZAGT-MRXNPFEDSA-N -1 3 377.364 0.920 20 30 GCEDHM N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737672856 599152747 /nfs/dbraw/zinc/15/27/47/599152747.db2.gz KWYPBXDOKNDFCS-GFCCVEGCSA-N -1 3 391.347 0.994 20 30 GCEDHM C=CCN1C(=O)C(=O)N(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1=O ZINC000735425845 599157162 /nfs/dbraw/zinc/15/71/62/599157162.db2.gz IORKEQPLGFCOPT-UHFFFAOYSA-N -1 3 380.324 0.394 20 30 GCEDHM C=CCN1C(=O)C(=O)N(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C1=O ZINC000735425845 599157166 /nfs/dbraw/zinc/15/71/66/599157166.db2.gz IORKEQPLGFCOPT-UHFFFAOYSA-N -1 3 380.324 0.394 20 30 GCEDHM N#Cc1ccc(NC(=O)CCCS(=O)(=O)N2CCCC2)cc1-c1nnn[n-]1 ZINC000737715924 599198556 /nfs/dbraw/zinc/19/85/56/599198556.db2.gz IPWPWWORBKPFEV-UHFFFAOYSA-N -1 3 389.441 0.883 20 30 GCEDHM N#Cc1ccc(NC(=O)CCCS(=O)(=O)N2CCCC2)cc1-c1nn[n-]n1 ZINC000737715924 599198557 /nfs/dbraw/zinc/19/85/57/599198557.db2.gz IPWPWWORBKPFEV-UHFFFAOYSA-N -1 3 389.441 0.883 20 30 GCEDHM N#Cc1nc(N)n(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c1-c1nnn[n-]1 ZINC000737728463 599220597 /nfs/dbraw/zinc/22/05/97/599220597.db2.gz PALRCUJTSCOMLT-UHFFFAOYSA-N -1 3 396.327 0.423 20 30 GCEDHM N#Cc1nc(N)n(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c1-c1nn[n-]n1 ZINC000737728463 599220598 /nfs/dbraw/zinc/22/05/98/599220598.db2.gz PALRCUJTSCOMLT-UHFFFAOYSA-N -1 3 396.327 0.423 20 30 GCEDHM CN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736779714 598231348 /nfs/dbraw/zinc/23/13/48/598231348.db2.gz KVBTXMZFEHCXRL-UHFFFAOYSA-N -1 3 389.441 0.249 20 30 GCEDHM CN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736779714 598231350 /nfs/dbraw/zinc/23/13/50/598231350.db2.gz KVBTXMZFEHCXRL-UHFFFAOYSA-N -1 3 389.441 0.249 20 30 GCEDHM CCN(C[C@H](C)C#N)C(=O)CN1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736514262 598251130 /nfs/dbraw/zinc/25/11/30/598251130.db2.gz WZXYMPRJHPUHSH-OAHLLOKOSA-N -1 3 382.472 0.997 20 30 GCEDHM CCN(C[C@H](C)C#N)C(=O)CN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736514262 598251135 /nfs/dbraw/zinc/25/11/35/598251135.db2.gz WZXYMPRJHPUHSH-OAHLLOKOSA-N -1 3 382.472 0.997 20 30 GCEDHM CCN(C[C@@H](C)C#N)C(=O)CN1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736514261 598251242 /nfs/dbraw/zinc/25/12/42/598251242.db2.gz WZXYMPRJHPUHSH-HNNXBMFYSA-N -1 3 382.472 0.997 20 30 GCEDHM CCN(C[C@@H](C)C#N)C(=O)CN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736514261 598251243 /nfs/dbraw/zinc/25/12/43/598251243.db2.gz WZXYMPRJHPUHSH-HNNXBMFYSA-N -1 3 382.472 0.997 20 30 GCEDHM CN1CCC(C#N)(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000736847848 598259269 /nfs/dbraw/zinc/25/92/69/598259269.db2.gz WZSCNPUQEGTZGH-UHFFFAOYSA-N -1 3 392.427 0.352 20 30 GCEDHM CN(CCC#N)S(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736789943 598271707 /nfs/dbraw/zinc/27/17/07/598271707.db2.gz DKFFFMUDEIXQCR-UHFFFAOYSA-N -1 3 394.436 0.218 20 30 GCEDHM Cc1cc(=O)n2nc(CSc3nc(N)c(-c4nnn[n-]4)cc3C#N)sc2n1 ZINC000737225876 598274078 /nfs/dbraw/zinc/27/40/78/598274078.db2.gz JTSKBIORPXONPY-UHFFFAOYSA-N -1 3 398.437 0.781 20 30 GCEDHM Cc1cc(=O)n2nc(CSc3nc(N)c(-c4nn[n-]n4)cc3C#N)sc2n1 ZINC000737225876 598274080 /nfs/dbraw/zinc/27/40/80/598274080.db2.gz JTSKBIORPXONPY-UHFFFAOYSA-N -1 3 398.437 0.781 20 30 GCEDHM C[C@@H](C#N)OC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735507015 598361439 /nfs/dbraw/zinc/36/14/39/598361439.db2.gz YWMCSUQTRNBNFT-NSHDSACASA-N -1 3 390.425 0.723 20 30 GCEDHM C[C@@H](C#N)OC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735507015 598361441 /nfs/dbraw/zinc/36/14/41/598361441.db2.gz YWMCSUQTRNBNFT-NSHDSACASA-N -1 3 390.425 0.723 20 30 GCEDHM CC(C)[C@](C)(C#N)NC(=O)COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735691268 598409577 /nfs/dbraw/zinc/40/95/77/598409577.db2.gz NZNJLMZWAKNOOT-SFHVURJKSA-N -1 3 399.411 0.194 20 30 GCEDHM CC(C)[C@](C)(C#N)NC(=O)COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735691268 598409579 /nfs/dbraw/zinc/40/95/79/598409579.db2.gz NZNJLMZWAKNOOT-SFHVURJKSA-N -1 3 399.411 0.194 20 30 GCEDHM N#CCN1CCC(NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CC1 ZINC000737697188 598430189 /nfs/dbraw/zinc/43/01/89/598430189.db2.gz XTYLOSGMKPOYCT-UHFFFAOYSA-N -1 3 396.459 0.081 20 30 GCEDHM N#CCN1CCC(NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CC1 ZINC000737697188 598430191 /nfs/dbraw/zinc/43/01/91/598430191.db2.gz XTYLOSGMKPOYCT-UHFFFAOYSA-N -1 3 396.459 0.081 20 30 GCEDHM C=CCN(C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000735416589 598538746 /nfs/dbraw/zinc/53/87/46/598538746.db2.gz NQBJLGCNBVDOQT-GJZGRUSLSA-N -1 3 393.469 0.282 20 30 GCEDHM COCCS(=O)(=O)CCCSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000737013828 598568843 /nfs/dbraw/zinc/56/88/43/598568843.db2.gz KLJWTQUZJBCNIM-UHFFFAOYSA-N -1 3 383.459 0.259 20 30 GCEDHM COCCS(=O)(=O)CCCSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000737013828 598568844 /nfs/dbraw/zinc/56/88/44/598568844.db2.gz KLJWTQUZJBCNIM-UHFFFAOYSA-N -1 3 383.459 0.259 20 30 GCEDHM N#CCCCCS(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737686535 598595742 /nfs/dbraw/zinc/59/57/42/598595742.db2.gz CITVYAFZMVLCIS-UHFFFAOYSA-N -1 3 376.446 0.407 20 30 GCEDHM N#CCCCCS(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737686535 598595743 /nfs/dbraw/zinc/59/57/43/598595743.db2.gz CITVYAFZMVLCIS-UHFFFAOYSA-N -1 3 376.446 0.407 20 30 GCEDHM Cn1cc(N2CC[C@H](Sc3nc(N)c(C#N)cc3-c3nnn[n-]3)C2=O)cn1 ZINC000737612142 598641686 /nfs/dbraw/zinc/64/16/86/598641686.db2.gz XEBLIXPIWRRIOJ-NSHDSACASA-N -1 3 382.413 0.347 20 30 GCEDHM Cn1cc(N2CC[C@H](Sc3nc(N)c(C#N)cc3-c3nn[n-]n3)C2=O)cn1 ZINC000737612142 598641689 /nfs/dbraw/zinc/64/16/89/598641689.db2.gz XEBLIXPIWRRIOJ-NSHDSACASA-N -1 3 382.413 0.347 20 30 GCEDHM N#Cc1ccc(NCCNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)nc1 ZINC000737718508 598690610 /nfs/dbraw/zinc/69/06/10/598690610.db2.gz JZLZMVXSEDNTSZ-UHFFFAOYSA-N -1 3 388.388 0.663 20 30 GCEDHM N#Cc1ccc(NCCNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)nc1 ZINC000737718508 598690612 /nfs/dbraw/zinc/69/06/12/598690612.db2.gz JZLZMVXSEDNTSZ-UHFFFAOYSA-N -1 3 388.388 0.663 20 30 GCEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000736182897 598697549 /nfs/dbraw/zinc/69/75/49/598697549.db2.gz HJIJKNQVGAMADA-AFMLGWFNSA-N -1 3 397.395 0.277 20 30 GCEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000736182897 598697551 /nfs/dbraw/zinc/69/75/51/598697551.db2.gz HJIJKNQVGAMADA-AFMLGWFNSA-N -1 3 397.395 0.277 20 30 GCEDHM O=C(NCCNC(=O)C1N=CC=CC1=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000738073908 598731321 /nfs/dbraw/zinc/73/13/21/598731321.db2.gz CXYLWBGIDXIDJE-JQIJEIRASA-N -1 3 382.384 0.192 20 30 GCEDHM N#C[C@H]1CN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CCN1C1CC1 ZINC000737680180 598759777 /nfs/dbraw/zinc/75/97/77/598759777.db2.gz XSPXUJKXKXMTLV-AWEZNQCLSA-N -1 3 382.432 0.055 20 30 GCEDHM N#C[C@H]1CN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CCN1C1CC1 ZINC000737680180 598759779 /nfs/dbraw/zinc/75/97/79/598759779.db2.gz XSPXUJKXKXMTLV-AWEZNQCLSA-N -1 3 382.432 0.055 20 30 GCEDHM N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCN1C1CC1 ZINC000737678469 598762309 /nfs/dbraw/zinc/76/23/09/598762309.db2.gz IMTIUKLLDHLTED-GFCCVEGCSA-N -1 3 384.375 0.143 20 30 GCEDHM N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCN1C1CC1 ZINC000737678469 598762311 /nfs/dbraw/zinc/76/23/11/598762311.db2.gz IMTIUKLLDHLTED-GFCCVEGCSA-N -1 3 384.375 0.143 20 30 GCEDHM C#CCN1CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000735380415 598811399 /nfs/dbraw/zinc/81/13/99/598811399.db2.gz GSCBGPZJPUUZDX-UHFFFAOYSA-N -1 3 377.412 0.026 20 30 GCEDHM C#CCN1CCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC1 ZINC000735380415 598811401 /nfs/dbraw/zinc/81/14/01/598811401.db2.gz GSCBGPZJPUUZDX-UHFFFAOYSA-N -1 3 377.412 0.026 20 30 GCEDHM C#CCN(CCC(=O)Nc1ccccc1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000735375324 598812294 /nfs/dbraw/zinc/81/22/94/598812294.db2.gz YBFIWNPKRXNQJI-CYBMUJFWSA-N -1 3 388.453 0.318 20 30 GCEDHM C#CCN(CCC(=O)Nc1ccccc1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000735375324 598812296 /nfs/dbraw/zinc/81/22/96/598812296.db2.gz YBFIWNPKRXNQJI-CYBMUJFWSA-N -1 3 388.453 0.318 20 30 GCEDHM N#Cc1cccc(C(=O)COC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826386728 607370315 /nfs/dbraw/zinc/37/03/15/607370315.db2.gz QMVSEZRJQJEUOK-UHFFFAOYSA-N -1 3 390.359 0.894 20 30 GCEDHM N#Cc1cccc(C(=O)COC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826386728 607370317 /nfs/dbraw/zinc/37/03/17/607370317.db2.gz QMVSEZRJQJEUOK-UHFFFAOYSA-N -1 3 390.359 0.894 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826407502 607375106 /nfs/dbraw/zinc/37/51/06/607375106.db2.gz PBJCQSCLAGHVNF-FBMGVBCBSA-N -1 3 396.363 0.509 20 30 GCEDHM Cc1cccc(NC(=O)C(=O)NCCNc2ncccc2-c2nnn[n-]2)c1C#N ZINC000822319098 599603383 /nfs/dbraw/zinc/60/33/83/599603383.db2.gz IRTFLIJXFFOAEJ-UHFFFAOYSA-N -1 3 391.395 0.609 20 30 GCEDHM Cc1cccc(NC(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)c1C#N ZINC000822319098 599603385 /nfs/dbraw/zinc/60/33/85/599603385.db2.gz IRTFLIJXFFOAEJ-UHFFFAOYSA-N -1 3 391.395 0.609 20 30 GCEDHM C#CCN(CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000819701701 599637170 /nfs/dbraw/zinc/63/71/70/599637170.db2.gz LEUHHKLTZOGHHO-HNNXBMFYSA-N -1 3 388.453 0.318 20 30 GCEDHM C#CCN(CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000819701701 599637171 /nfs/dbraw/zinc/63/71/71/599637171.db2.gz LEUHHKLTZOGHHO-HNNXBMFYSA-N -1 3 388.453 0.318 20 30 GCEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000821612425 599696498 /nfs/dbraw/zinc/69/64/98/599696498.db2.gz UXLATIDHBYZZPV-FBMGVBCBSA-N -1 3 381.396 0.742 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826407255 607421101 /nfs/dbraw/zinc/42/11/01/607421101.db2.gz GXRLHIJWQAFTMG-FBMGVBCBSA-N -1 3 393.407 0.889 20 30 GCEDHM C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](C)CN1C(=O)c1cc(C#N)c[nH]1 ZINC000826232479 607561445 /nfs/dbraw/zinc/56/14/45/607561445.db2.gz ONYCWKNZXPHNAO-MNOVXSKESA-N -1 3 393.411 0.770 20 30 GCEDHM C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](C)CN1C(=O)c1cc(C#N)c[nH]1 ZINC000826232479 607561448 /nfs/dbraw/zinc/56/14/48/607561448.db2.gz ONYCWKNZXPHNAO-MNOVXSKESA-N -1 3 393.411 0.770 20 30 GCEDHM COc1ccc(CNC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1-c1nnn[n-]1 ZINC000826195721 607630819 /nfs/dbraw/zinc/63/08/19/607630819.db2.gz CYXONYHEMQTVKP-UHFFFAOYSA-N -1 3 395.383 0.240 20 30 GCEDHM COc1ccc(CNC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1-c1nn[n-]n1 ZINC000826195721 607630821 /nfs/dbraw/zinc/63/08/21/607630821.db2.gz CYXONYHEMQTVKP-UHFFFAOYSA-N -1 3 395.383 0.240 20 30 GCEDHM N#Cc1ccc(C(=O)N[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)[nH]1 ZINC000826384374 607719228 /nfs/dbraw/zinc/71/92/28/607719228.db2.gz SEOAYQZYJRWVBG-AWEZNQCLSA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1ccc(C(=O)N[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)[nH]1 ZINC000826384374 607719229 /nfs/dbraw/zinc/71/92/29/607719229.db2.gz SEOAYQZYJRWVBG-AWEZNQCLSA-N -1 3 379.384 0.333 20 30 GCEDHM COC[C@@](C)(CC(=O)[O-])NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000833721767 605058548 /nfs/dbraw/zinc/05/85/48/605058548.db2.gz GQIXZEXDKZQSJY-KBXCAEBGSA-N -1 3 394.497 0.926 20 30 GCEDHM CC(C)(CNC(=O)c1ccc(C#N)[nH]1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824158035 607734880 /nfs/dbraw/zinc/73/48/80/607734880.db2.gz PWDFKELDIZRUET-UHFFFAOYSA-N -1 3 381.400 0.581 20 30 GCEDHM CC(C)(CNC(=O)c1ccc(C#N)[nH]1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824158035 607734881 /nfs/dbraw/zinc/73/48/81/607734881.db2.gz PWDFKELDIZRUET-UHFFFAOYSA-N -1 3 381.400 0.581 20 30 GCEDHM CC(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC000824191823 607736249 /nfs/dbraw/zinc/73/62/49/607736249.db2.gz GOLYQFRFOMLVAV-AWEZNQCLSA-N -1 3 381.400 0.579 20 30 GCEDHM CC(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC000824191823 607736250 /nfs/dbraw/zinc/73/62/50/607736250.db2.gz GOLYQFRFOMLVAV-AWEZNQCLSA-N -1 3 381.400 0.579 20 30 GCEDHM N#Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[nH]1 ZINC000826384365 607742920 /nfs/dbraw/zinc/74/29/20/607742920.db2.gz SBJOPFZEOZIDQU-CMPLNLGQSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[nH]1 ZINC000826384365 607742921 /nfs/dbraw/zinc/74/29/21/607742921.db2.gz SBJOPFZEOZIDQU-CMPLNLGQSA-N -1 3 393.411 0.723 20 30 GCEDHM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](C)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000826232450 607757293 /nfs/dbraw/zinc/75/72/93/607757293.db2.gz NFDXFWHFSOWPPP-MNOVXSKESA-N -1 3 393.411 0.770 20 30 GCEDHM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](C)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000826232450 607757294 /nfs/dbraw/zinc/75/72/94/607757294.db2.gz NFDXFWHFSOWPPP-MNOVXSKESA-N -1 3 393.411 0.770 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822969266 606018687 /nfs/dbraw/zinc/01/86/87/606018687.db2.gz KSDRNMTWUIADKB-BMRADRMJSA-N -1 3 385.359 0.539 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822969266 606018690 /nfs/dbraw/zinc/01/86/90/606018690.db2.gz KSDRNMTWUIADKB-BMRADRMJSA-N -1 3 385.359 0.539 20 30 GCEDHM COC(=O)CN(CC#N)CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821662409 606071171 /nfs/dbraw/zinc/07/11/71/606071171.db2.gz AZNZDQAQFOYLHL-UHFFFAOYSA-N -1 3 377.792 0.847 20 30 GCEDHM COC(=O)CN(CC#N)CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821662409 606071176 /nfs/dbraw/zinc/07/11/76/606071176.db2.gz AZNZDQAQFOYLHL-UHFFFAOYSA-N -1 3 377.792 0.847 20 30 GCEDHM CC[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)cn1C)NC(=O)c1cc(C#N)cn1C ZINC000820908630 606286046 /nfs/dbraw/zinc/28/60/46/606286046.db2.gz OAVJCFSLHBXDHY-ZDUSSCGKSA-N -1 3 395.427 0.354 20 30 GCEDHM CC[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)cn1C)NC(=O)c1cc(C#N)cn1C ZINC000820908630 606286048 /nfs/dbraw/zinc/28/60/48/606286048.db2.gz OAVJCFSLHBXDHY-ZDUSSCGKSA-N -1 3 395.427 0.354 20 30 GCEDHM CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(-c3nnn[n-]3)cs2)c(=O)n1C ZINC000820005420 606330623 /nfs/dbraw/zinc/33/06/23/606330623.db2.gz QENLWCACLHSDFJ-UHFFFAOYSA-N -1 3 386.462 0.417 20 30 GCEDHM CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(-c3nn[n-]n3)cs2)c(=O)n1C ZINC000820005420 606330625 /nfs/dbraw/zinc/33/06/25/606330625.db2.gz QENLWCACLHSDFJ-UHFFFAOYSA-N -1 3 386.462 0.417 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N[C@H]2CCC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000822819517 606363718 /nfs/dbraw/zinc/36/37/18/606363718.db2.gz UBUAYRWCJHUTRP-AAEUAGOBSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N[C@H]2CCC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822819517 606363720 /nfs/dbraw/zinc/36/37/20/606363720.db2.gz UBUAYRWCJHUTRP-AAEUAGOBSA-N -1 3 393.411 0.723 20 30 GCEDHM Cn1cc(C#N)cc1C(=O)OCCCOC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822669040 606390958 /nfs/dbraw/zinc/39/09/58/606390958.db2.gz FUHUZTJFECPTEH-UHFFFAOYSA-N -1 3 383.368 0.819 20 30 GCEDHM Cn1cc(C#N)cc1C(=O)OCCCOC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822669040 606390960 /nfs/dbraw/zinc/39/09/60/606390960.db2.gz FUHUZTJFECPTEH-UHFFFAOYSA-N -1 3 383.368 0.819 20 30 GCEDHM COC(=O)C1=C(C(=O)C2CC2)[C@@H](c2ccc(-c3nnn[n-]3)s2)NC(=S)N1 ZINC000821653468 606395574 /nfs/dbraw/zinc/39/55/74/606395574.db2.gz BYBZKWYREMLSMT-SNVBAGLBSA-N -1 3 390.450 0.853 20 30 GCEDHM N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CCN1C1CC1 ZINC000822806908 606399839 /nfs/dbraw/zinc/39/98/39/606399839.db2.gz VNCKDZMJOMLPAM-LBPRGKRZSA-N -1 3 384.375 0.143 20 30 GCEDHM N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CCN1C1CC1 ZINC000822806908 606399841 /nfs/dbraw/zinc/39/98/41/606399841.db2.gz VNCKDZMJOMLPAM-LBPRGKRZSA-N -1 3 384.375 0.143 20 30 GCEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)[C@@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000822622965 606407275 /nfs/dbraw/zinc/40/72/75/606407275.db2.gz MDKWBAGMIZNSQF-GFCCVEGCSA-N -1 3 393.363 0.938 20 30 GCEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)[C@@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000822622965 606407277 /nfs/dbraw/zinc/40/72/77/606407277.db2.gz MDKWBAGMIZNSQF-GFCCVEGCSA-N -1 3 393.363 0.938 20 30 GCEDHM CCN(CCC#N)C(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821207722 606584769 /nfs/dbraw/zinc/58/47/69/606584769.db2.gz SZNMVJVLKALBNG-AWEZNQCLSA-N -1 3 396.411 0.834 20 30 GCEDHM CCN(CCC#N)C(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821207722 606584770 /nfs/dbraw/zinc/58/47/70/606584770.db2.gz SZNMVJVLKALBNG-AWEZNQCLSA-N -1 3 396.411 0.834 20 30 GCEDHM C=CCN(CC=C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000819740104 606604148 /nfs/dbraw/zinc/60/41/48/606604148.db2.gz OWJLQJQCLKYAHD-UHFFFAOYSA-N -1 3 393.411 0.646 20 30 GCEDHM C=CCN(CC=C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000819740104 606604149 /nfs/dbraw/zinc/60/41/49/606604149.db2.gz OWJLQJQCLKYAHD-UHFFFAOYSA-N -1 3 393.411 0.646 20 30 GCEDHM C=CC[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000819730034 606604239 /nfs/dbraw/zinc/60/42/39/606604239.db2.gz QHGKERDNJCTLIP-NSHDSACASA-N -1 3 381.400 0.526 20 30 GCEDHM C=CC[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000819730034 606604241 /nfs/dbraw/zinc/60/42/41/606604241.db2.gz QHGKERDNJCTLIP-NSHDSACASA-N -1 3 381.400 0.526 20 30 GCEDHM C=CC[C@@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000819730033 606604353 /nfs/dbraw/zinc/60/43/53/606604353.db2.gz QHGKERDNJCTLIP-LLVKDONJSA-N -1 3 381.400 0.526 20 30 GCEDHM C=CC[C@@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000819730033 606604355 /nfs/dbraw/zinc/60/43/55/606604355.db2.gz QHGKERDNJCTLIP-LLVKDONJSA-N -1 3 381.400 0.526 20 30 GCEDHM N#CCN(CC#N)S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000822810137 606639484 /nfs/dbraw/zinc/63/94/84/606639484.db2.gz COJZWNOUVUWOGA-UHFFFAOYSA-N -1 3 382.203 0.667 20 30 GCEDHM N#CCN(CC#N)S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000822810137 606639485 /nfs/dbraw/zinc/63/94/85/606639485.db2.gz COJZWNOUVUWOGA-UHFFFAOYSA-N -1 3 382.203 0.667 20 30 GCEDHM N#C[C@@H]1COCCN1S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000822806649 606639722 /nfs/dbraw/zinc/63/97/22/606639722.db2.gz RBOGDCXZZHFDGY-SNVBAGLBSA-N -1 3 399.230 0.542 20 30 GCEDHM N#C[C@@H]1COCCN1S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000822806649 606639723 /nfs/dbraw/zinc/63/97/23/606639723.db2.gz RBOGDCXZZHFDGY-SNVBAGLBSA-N -1 3 399.230 0.542 20 30 GCEDHM C[C@@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820316741 606658540 /nfs/dbraw/zinc/65/85/40/606658540.db2.gz XLDGLZFFRAZDQM-LLVKDONJSA-N -1 3 379.384 0.793 20 30 GCEDHM C[C@@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820316741 606658541 /nfs/dbraw/zinc/65/85/41/606658541.db2.gz XLDGLZFFRAZDQM-LLVKDONJSA-N -1 3 379.384 0.793 20 30 GCEDHM C[C@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820313378 606658656 /nfs/dbraw/zinc/65/86/56/606658656.db2.gz DNVYJRYGEGPHRA-NSHDSACASA-N -1 3 379.384 0.793 20 30 GCEDHM C[C@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820313378 606658657 /nfs/dbraw/zinc/65/86/57/606658657.db2.gz DNVYJRYGEGPHRA-NSHDSACASA-N -1 3 379.384 0.793 20 30 GCEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820804707 606820324 /nfs/dbraw/zinc/82/03/24/606820324.db2.gz XUMRVPLYXVUGBJ-GFCCVEGCSA-N -1 3 375.396 0.879 20 30 GCEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820804707 606820326 /nfs/dbraw/zinc/82/03/26/606820326.db2.gz XUMRVPLYXVUGBJ-GFCCVEGCSA-N -1 3 375.396 0.879 20 30 GCEDHM C#CCOCCOC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000819701265 606822546 /nfs/dbraw/zinc/82/25/46/606822546.db2.gz AQBGNYKIOQTJHI-CQSZACIVSA-N -1 3 398.379 0.265 20 30 GCEDHM C#CCOCCOC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000819701265 606822547 /nfs/dbraw/zinc/82/25/47/606822547.db2.gz AQBGNYKIOQTJHI-CQSZACIVSA-N -1 3 398.379 0.265 20 30 GCEDHM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000820803677 606823554 /nfs/dbraw/zinc/82/35/54/606823554.db2.gz FDVSFNJNUCZNFG-NSHDSACASA-N -1 3 376.384 0.274 20 30 GCEDHM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000820803677 606823555 /nfs/dbraw/zinc/82/35/55/606823555.db2.gz FDVSFNJNUCZNFG-NSHDSACASA-N -1 3 376.384 0.274 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CCN1C1CC1 ZINC000822805926 606844580 /nfs/dbraw/zinc/84/45/80/606844580.db2.gz GVYXOQMIJKHXPO-LBPRGKRZSA-N -1 3 377.405 0.367 20 30 GCEDHM C=CCN(CC=C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000819740129 606907354 /nfs/dbraw/zinc/90/73/54/606907354.db2.gz QKZCERYEDBAJRI-IBGZPJMESA-N -1 3 395.423 0.834 20 30 GCEDHM C=CCN(CC=C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000819740129 606907355 /nfs/dbraw/zinc/90/73/55/606907355.db2.gz QKZCERYEDBAJRI-IBGZPJMESA-N -1 3 395.423 0.834 20 30 GCEDHM C[C@H]1CN(c2nccnc2C#N)CCN1C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820803944 606911478 /nfs/dbraw/zinc/91/14/78/606911478.db2.gz JZGLVCZPDYLCNB-SUMWQHHRSA-N -1 3 391.439 0.772 20 30 GCEDHM C=CCN(CC=C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819740152 606976363 /nfs/dbraw/zinc/97/63/63/606976363.db2.gz RHHUKTLJTAGLFE-LBPRGKRZSA-N -1 3 376.442 0.734 20 30 GCEDHM C=CCN(CC=C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819740152 606976364 /nfs/dbraw/zinc/97/63/64/606976364.db2.gz RHHUKTLJTAGLFE-LBPRGKRZSA-N -1 3 376.442 0.734 20 30 GCEDHM C=C(C)CN(CC)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819722713 606992816 /nfs/dbraw/zinc/99/28/16/606992816.db2.gz PCCUVHJNMUYTHF-LBPRGKRZSA-N -1 3 378.458 0.958 20 30 GCEDHM C=C(C)CN(CC)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819722713 606992818 /nfs/dbraw/zinc/99/28/18/606992818.db2.gz PCCUVHJNMUYTHF-LBPRGKRZSA-N -1 3 378.458 0.958 20 30 GCEDHM CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821170029 606998147 /nfs/dbraw/zinc/99/81/47/606998147.db2.gz LOHJQSRWTGYVHU-NWDGAFQWSA-N -1 3 391.457 0.542 20 30 GCEDHM CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821170029 606998148 /nfs/dbraw/zinc/99/81/48/606998148.db2.gz LOHJQSRWTGYVHU-NWDGAFQWSA-N -1 3 391.457 0.542 20 30 GCEDHM CCN(C[C@@H](C)C#N)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821170031 606998292 /nfs/dbraw/zinc/99/82/92/606998292.db2.gz LOHJQSRWTGYVHU-RYUDHWBXSA-N -1 3 391.457 0.542 20 30 GCEDHM CCN(C[C@@H](C)C#N)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821170031 606998294 /nfs/dbraw/zinc/99/82/94/606998294.db2.gz LOHJQSRWTGYVHU-RYUDHWBXSA-N -1 3 391.457 0.542 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)C1(C#N)CCC1 ZINC000820438348 606999996 /nfs/dbraw/zinc/99/99/96/606999996.db2.gz NLLAMWHUNWRTKX-LLVKDONJSA-N -1 3 389.441 0.438 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C1(C#N)CCC1 ZINC000820438348 606999998 /nfs/dbraw/zinc/99/99/98/606999998.db2.gz NLLAMWHUNWRTKX-LLVKDONJSA-N -1 3 389.441 0.438 20 30 GCEDHM C[C@H](C#N)CN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819844900 607000015 /nfs/dbraw/zinc/00/00/15/607000015.db2.gz NRIFKAGNUAYGIE-MNOVXSKESA-N -1 3 377.430 0.152 20 30 GCEDHM C[C@H](C#N)CN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819844900 607000016 /nfs/dbraw/zinc/00/00/16/607000016.db2.gz NRIFKAGNUAYGIE-MNOVXSKESA-N -1 3 377.430 0.152 20 30 GCEDHM C#CCCCCNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000819693460 607016434 /nfs/dbraw/zinc/01/64/34/607016434.db2.gz SEZUZWKDSSTKLK-UHFFFAOYSA-N -1 3 393.411 0.365 20 30 GCEDHM C#CCCCCNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000819693460 607016436 /nfs/dbraw/zinc/01/64/36/607016436.db2.gz SEZUZWKDSSTKLK-UHFFFAOYSA-N -1 3 393.411 0.365 20 30 GCEDHM CC[C@](C)(C#N)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820848348 607017135 /nfs/dbraw/zinc/01/71/35/607017135.db2.gz VLNIHMQOVMKMGH-ZUZCIYMTSA-N -1 3 377.430 0.342 20 30 GCEDHM CC[C@](C)(C#N)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820848348 607017137 /nfs/dbraw/zinc/01/71/37/607017137.db2.gz VLNIHMQOVMKMGH-ZUZCIYMTSA-N -1 3 377.430 0.342 20 30 GCEDHM CC(C)N(CCC#N)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820444229 607018310 /nfs/dbraw/zinc/01/83/10/607018310.db2.gz HVCHHMJOAHGUSN-GFCCVEGCSA-N -1 3 391.457 0.684 20 30 GCEDHM CC(C)N(CCC#N)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820444229 607018311 /nfs/dbraw/zinc/01/83/11/607018311.db2.gz HVCHHMJOAHGUSN-GFCCVEGCSA-N -1 3 391.457 0.684 20 30 GCEDHM CCC[C@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821009382 607018789 /nfs/dbraw/zinc/01/87/89/607018789.db2.gz QAVHRZGZKQHNPO-ZYHUDNBSSA-N -1 3 377.430 0.342 20 30 GCEDHM CCC[C@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821009382 607018790 /nfs/dbraw/zinc/01/87/90/607018790.db2.gz QAVHRZGZKQHNPO-ZYHUDNBSSA-N -1 3 377.430 0.342 20 30 GCEDHM C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000819739832 607021070 /nfs/dbraw/zinc/02/10/70/607021070.db2.gz JDPSPEBBJPBWEL-LBPRGKRZSA-N -1 3 378.458 0.957 20 30 GCEDHM C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000819739832 607021072 /nfs/dbraw/zinc/02/10/72/607021072.db2.gz JDPSPEBBJPBWEL-LBPRGKRZSA-N -1 3 378.458 0.957 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1(C#N)CCCC1 ZINC000820445944 607022296 /nfs/dbraw/zinc/02/22/96/607022296.db2.gz RRXWFXPBMGKRFR-NSHDSACASA-N -1 3 389.441 0.486 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1(C#N)CCCC1 ZINC000820445944 607022298 /nfs/dbraw/zinc/02/22/98/607022298.db2.gz RRXWFXPBMGKRFR-NSHDSACASA-N -1 3 389.441 0.486 20 30 GCEDHM CC(C)[C@@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820445415 607023975 /nfs/dbraw/zinc/02/39/75/607023975.db2.gz PRMOBGBSKDZGID-ZWNOBZJWSA-N -1 3 377.430 0.198 20 30 GCEDHM CC(C)[C@@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820445415 607023977 /nfs/dbraw/zinc/02/39/77/607023977.db2.gz PRMOBGBSKDZGID-ZWNOBZJWSA-N -1 3 377.430 0.198 20 30 GCEDHM CC(C)[C@@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820438597 607024288 /nfs/dbraw/zinc/02/42/88/607024288.db2.gz SQHCIRJHHHYKLB-ZWNOBZJWSA-N -1 3 377.430 0.198 20 30 GCEDHM CC(C)[C@@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820438597 607024290 /nfs/dbraw/zinc/02/42/90/607024290.db2.gz SQHCIRJHHHYKLB-ZWNOBZJWSA-N -1 3 377.430 0.198 20 30 GCEDHM C=CC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819729144 607025458 /nfs/dbraw/zinc/02/54/58/607025458.db2.gz DJANJRKCDTURLI-GFCCVEGCSA-N -1 3 390.469 0.958 20 30 GCEDHM C=CC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819729144 607025460 /nfs/dbraw/zinc/02/54/60/607025460.db2.gz DJANJRKCDTURLI-GFCCVEGCSA-N -1 3 390.469 0.958 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000820438591 607053808 /nfs/dbraw/zinc/05/38/08/607053808.db2.gz SLHURPWBQGUPLZ-ZKYQVNSYSA-N -1 3 389.441 0.342 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000820438591 607053811 /nfs/dbraw/zinc/05/38/11/607053811.db2.gz SLHURPWBQGUPLZ-ZKYQVNSYSA-N -1 3 389.441 0.342 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C#N)C(C)(C)C ZINC000820438731 607054138 /nfs/dbraw/zinc/05/41/38/607054138.db2.gz VVOGHCWKYZMPHM-GXFFZTMASA-N -1 3 391.457 0.588 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C#N)C(C)(C)C ZINC000820438731 607054139 /nfs/dbraw/zinc/05/41/39/607054139.db2.gz VVOGHCWKYZMPHM-GXFFZTMASA-N -1 3 391.457 0.588 20 30 GCEDHM C=C(C)COCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819722562 607062867 /nfs/dbraw/zinc/06/28/67/607062867.db2.gz MXWAKDLGEFWVBF-LBPRGKRZSA-N -1 3 394.457 0.242 20 30 GCEDHM C=C(C)COCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819722562 607062869 /nfs/dbraw/zinc/06/28/69/607062869.db2.gz MXWAKDLGEFWVBF-LBPRGKRZSA-N -1 3 394.457 0.242 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822969300 607084287 /nfs/dbraw/zinc/08/42/87/607084287.db2.gz LNKXUEQZLBRSIL-ICFOKQHNSA-N -1 3 386.343 0.966 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCCCCC#N ZINC000820444086 607089572 /nfs/dbraw/zinc/08/95/72/607089572.db2.gz FQMXJPOJKGFRID-NSHDSACASA-N -1 3 378.414 0.771 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCCC#N ZINC000820444086 607089573 /nfs/dbraw/zinc/08/95/73/607089573.db2.gz FQMXJPOJKGFRID-NSHDSACASA-N -1 3 378.414 0.771 20 30 GCEDHM CCN(CCC#N)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821207699 607099197 /nfs/dbraw/zinc/09/91/97/607099197.db2.gz RZUNFBWUVWIPGM-NSHDSACASA-N -1 3 377.430 0.296 20 30 GCEDHM CCN(CCC#N)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821207699 607099198 /nfs/dbraw/zinc/09/91/98/607099198.db2.gz RZUNFBWUVWIPGM-NSHDSACASA-N -1 3 377.430 0.296 20 30 GCEDHM CCS(=O)(=O)c1ccc2oc(Cn3c(N)nc(C#N)c3-c3nnn[n-]3)nc2c1 ZINC000821449993 607160662 /nfs/dbraw/zinc/16/06/62/607160662.db2.gz ZHJSXWMHOSBHQA-UHFFFAOYSA-N -1 3 399.396 0.500 20 30 GCEDHM CCS(=O)(=O)c1ccc2oc(Cn3c(N)nc(C#N)c3-c3nn[n-]n3)nc2c1 ZINC000821449993 607160663 /nfs/dbraw/zinc/16/06/63/607160663.db2.gz ZHJSXWMHOSBHQA-UHFFFAOYSA-N -1 3 399.396 0.500 20 30 GCEDHM N#Cc1ccnc(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1[N+](=O)[O-] ZINC000822842675 607165455 /nfs/dbraw/zinc/16/54/55/607165455.db2.gz SZNZBKVLGYJFIO-UHFFFAOYSA-N -1 3 378.356 0.763 20 30 GCEDHM N#Cc1ccnc(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1[N+](=O)[O-] ZINC000822842675 607165456 /nfs/dbraw/zinc/16/54/56/607165456.db2.gz SZNZBKVLGYJFIO-UHFFFAOYSA-N -1 3 378.356 0.763 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)c1 ZINC000826383667 607818939 /nfs/dbraw/zinc/81/89/39/607818939.db2.gz LBILHHYIZQPDQE-JOCQHMNTSA-N -1 3 393.411 0.866 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)c1 ZINC000826383667 607818940 /nfs/dbraw/zinc/81/89/40/607818940.db2.gz LBILHHYIZQPDQE-JOCQHMNTSA-N -1 3 393.411 0.866 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H](C)S(C)(=O)=O ZINC000823909390 607836870 /nfs/dbraw/zinc/83/68/70/607836870.db2.gz BKKPXNMMBYRJJO-LBPRGKRZSA-N -1 3 378.458 0.997 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H](C)S(C)(=O)=O ZINC000823909390 607836871 /nfs/dbraw/zinc/83/68/71/607836871.db2.gz BKKPXNMMBYRJJO-LBPRGKRZSA-N -1 3 378.458 0.997 20 30 GCEDHM C#CCNC(=S)NCCCc1nn(-c2ccc(C)cc2)c(N)c1-c1nnn[n-]1 ZINC000823850345 607966845 /nfs/dbraw/zinc/96/68/45/607966845.db2.gz OGFQGCYBPOADEZ-UHFFFAOYSA-N -1 3 395.496 0.973 20 30 GCEDHM C#CCNC(=S)NCCCc1nn(-c2ccc(C)cc2)c(N)c1-c1nn[n-]n1 ZINC000823850345 607966846 /nfs/dbraw/zinc/96/68/46/607966846.db2.gz OGFQGCYBPOADEZ-UHFFFAOYSA-N -1 3 395.496 0.973 20 30 GCEDHM N#CCOc1cccc(CC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000826382055 608024645 /nfs/dbraw/zinc/02/46/45/608024645.db2.gz MNFAVKKDFZCQOQ-UHFFFAOYSA-N -1 3 378.396 0.935 20 30 GCEDHM N#CCOc1cccc(CC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000826382055 608024646 /nfs/dbraw/zinc/02/46/46/608024646.db2.gz MNFAVKKDFZCQOQ-UHFFFAOYSA-N -1 3 378.396 0.935 20 30 GCEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCn1cc([N+](=O)[O-])ccc1=O ZINC000826383896 608077462 /nfs/dbraw/zinc/07/74/62/608077462.db2.gz WPQRZVZSRCNTSB-UHFFFAOYSA-N -1 3 385.369 0.578 20 30 GCEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCn1cc([N+](=O)[O-])ccc1=O ZINC000826383896 608077463 /nfs/dbraw/zinc/07/74/63/608077463.db2.gz WPQRZVZSRCNTSB-UHFFFAOYSA-N -1 3 385.369 0.578 20 30 GCEDHM CC(=NNC(=S)NCCCN1CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823953905 608091677 /nfs/dbraw/zinc/09/16/77/608091677.db2.gz VCBPJFYODFTGRZ-UHFFFAOYSA-N -1 3 394.530 0.839 20 30 GCEDHM CC(=NNC(=S)NCCCN1CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823953905 608091678 /nfs/dbraw/zinc/09/16/78/608091678.db2.gz VCBPJFYODFTGRZ-UHFFFAOYSA-N -1 3 394.530 0.839 20 30 GCEDHM N#Cc1ncn(CC(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)n1 ZINC000826388446 608190329 /nfs/dbraw/zinc/19/03/29/608190329.db2.gz ZIUCNJOUYFPYPN-UHFFFAOYSA-N -1 3 375.356 0.036 20 30 GCEDHM N#Cc1ncn(CC(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)n1 ZINC000826388446 608190331 /nfs/dbraw/zinc/19/03/31/608190331.db2.gz ZIUCNJOUYFPYPN-UHFFFAOYSA-N -1 3 375.356 0.036 20 30 GCEDHM C#Cc1cccc(NC(=O)CNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000823861253 608219349 /nfs/dbraw/zinc/21/93/49/608219349.db2.gz BDGXXBPWBFHPNL-UHFFFAOYSA-N -1 3 376.380 0.410 20 30 GCEDHM C#Cc1cccc(NC(=O)CNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000823861253 608219351 /nfs/dbraw/zinc/21/93/51/608219351.db2.gz BDGXXBPWBFHPNL-UHFFFAOYSA-N -1 3 376.380 0.410 20 30 GCEDHM C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823899638 608249558 /nfs/dbraw/zinc/24/95/58/608249558.db2.gz ZXFBOSMMLUNHBO-NSHDSACASA-N -1 3 376.442 0.711 20 30 GCEDHM C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823899638 608249560 /nfs/dbraw/zinc/24/95/60/608249560.db2.gz ZXFBOSMMLUNHBO-NSHDSACASA-N -1 3 376.442 0.711 20 30 GCEDHM N#CCN1CCC(NS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000826382108 608332401 /nfs/dbraw/zinc/33/24/01/608332401.db2.gz ORIRIXXRXAZQRE-UHFFFAOYSA-N -1 3 379.421 0.413 20 30 GCEDHM N#CCN1CCC(NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000826382108 608332402 /nfs/dbraw/zinc/33/24/02/608332402.db2.gz ORIRIXXRXAZQRE-UHFFFAOYSA-N -1 3 379.421 0.413 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CCN1C1CC1 ZINC000826380457 608333599 /nfs/dbraw/zinc/33/35/99/608333599.db2.gz BBHGPJRRRMKPAD-AWEZNQCLSA-N -1 3 391.432 0.508 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CCN1C1CC1 ZINC000826380457 608333601 /nfs/dbraw/zinc/33/36/01/608333601.db2.gz BBHGPJRRRMKPAD-AWEZNQCLSA-N -1 3 391.432 0.508 20 30 GCEDHM CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000824148530 608340429 /nfs/dbraw/zinc/34/04/29/608340429.db2.gz YQWSDWNEAUSQFA-UHFFFAOYSA-N -1 3 393.411 0.945 20 30 GCEDHM CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000824148530 608340431 /nfs/dbraw/zinc/34/04/31/608340431.db2.gz YQWSDWNEAUSQFA-UHFFFAOYSA-N -1 3 393.411 0.945 20 30 GCEDHM C#CCN(C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000823845494 608351915 /nfs/dbraw/zinc/35/19/15/608351915.db2.gz VCEYGGDBSGCGRH-ZDUSSCGKSA-N -1 3 392.416 0.338 20 30 GCEDHM C#CCN(C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000823845494 608351917 /nfs/dbraw/zinc/35/19/17/608351917.db2.gz VCEYGGDBSGCGRH-ZDUSSCGKSA-N -1 3 392.416 0.338 20 30 GCEDHM C#C[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823838333 608454573 /nfs/dbraw/zinc/45/45/73/608454573.db2.gz OHJQULNKZBKNDF-HZMBPMFUSA-N -1 3 375.410 0.489 20 30 GCEDHM C#C[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823838333 608454574 /nfs/dbraw/zinc/45/45/74/608454574.db2.gz OHJQULNKZBKNDF-HZMBPMFUSA-N -1 3 375.410 0.489 20 30 GCEDHM C=CC[C@@H](CO)CNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823888655 608561465 /nfs/dbraw/zinc/56/14/65/608561465.db2.gz SPDKDUCRSKHOGY-CYBMUJFWSA-N -1 3 379.442 0.082 20 30 GCEDHM CC(N=Nc1ccc(S(N)(=O)=O)cn1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958597 609159456 /nfs/dbraw/zinc/15/94/56/609159456.db2.gz RZMNCRLXAWIPLF-UHFFFAOYSA-N -1 3 376.377 0.884 20 30 GCEDHM CC(N=Nc1ccc(S(N)(=O)=O)cn1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958597 609159457 /nfs/dbraw/zinc/15/94/57/609159457.db2.gz RZMNCRLXAWIPLF-UHFFFAOYSA-N -1 3 376.377 0.884 20 30 GCEDHM C=CCNC(=O)CNC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823919241 609194482 /nfs/dbraw/zinc/19/44/82/609194482.db2.gz AQDDOTGTRHBOJZ-UHFFFAOYSA-N -1 3 385.428 0.722 20 30 GCEDHM C=CCNC(=O)CNC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823919241 609194484 /nfs/dbraw/zinc/19/44/84/609194484.db2.gz AQDDOTGTRHBOJZ-UHFFFAOYSA-N -1 3 385.428 0.722 20 30 GCEDHM N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000826387806 609195364 /nfs/dbraw/zinc/19/53/64/609195364.db2.gz RQENZWKAIJMYPC-UHFFFAOYSA-N -1 3 379.384 0.894 20 30 GCEDHM N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000826387806 609195366 /nfs/dbraw/zinc/19/53/66/609195366.db2.gz RQENZWKAIJMYPC-UHFFFAOYSA-N -1 3 379.384 0.894 20 30 GCEDHM C=CCNC(=O)CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000823919964 609197234 /nfs/dbraw/zinc/19/72/34/609197234.db2.gz UUPLSYFZAGQLMT-UHFFFAOYSA-N -1 3 388.407 0.140 20 30 GCEDHM C=CC[C@H](CO)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823887986 609203930 /nfs/dbraw/zinc/20/39/30/609203930.db2.gz CJZSWIOKDRWNHK-XJKSGUPXSA-N -1 3 399.455 0.846 20 30 GCEDHM C=CC[C@H](CO)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823887986 609203932 /nfs/dbraw/zinc/20/39/32/609203932.db2.gz CJZSWIOKDRWNHK-XJKSGUPXSA-N -1 3 399.455 0.846 20 30 GCEDHM C=CCN(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000823899158 609208281 /nfs/dbraw/zinc/20/82/81/609208281.db2.gz NWYRQEBGQJGVLM-ZIAGYGMSSA-N -1 3 377.426 0.102 20 30 GCEDHM C=CCN(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000823899158 609208282 /nfs/dbraw/zinc/20/82/82/609208282.db2.gz NWYRQEBGQJGVLM-ZIAGYGMSSA-N -1 3 377.426 0.102 20 30 GCEDHM C=CCN(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000823899157 609208433 /nfs/dbraw/zinc/20/84/33/609208433.db2.gz NWYRQEBGQJGVLM-UONOGXRCSA-N -1 3 377.426 0.102 20 30 GCEDHM C=CCN(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000823899157 609208434 /nfs/dbraw/zinc/20/84/34/609208434.db2.gz NWYRQEBGQJGVLM-UONOGXRCSA-N -1 3 377.426 0.102 20 30 GCEDHM N#Cc1ccc(N2CCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)nc1 ZINC000826385748 609209378 /nfs/dbraw/zinc/20/93/78/609209378.db2.gz YZGALDVTZXNCKC-KRWDZBQOSA-N -1 3 390.407 0.516 20 30 GCEDHM N#Cc1ccc(N2CCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)nc1 ZINC000826385748 609209381 /nfs/dbraw/zinc/20/93/81/609209381.db2.gz YZGALDVTZXNCKC-KRWDZBQOSA-N -1 3 390.407 0.516 20 30 GCEDHM C=CCNC(=O)CNC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000823920184 609265438 /nfs/dbraw/zinc/26/54/38/609265438.db2.gz ZTBITRFGIRNMIJ-UHFFFAOYSA-N -1 3 375.458 0.697 20 30 GCEDHM C=CCNC(=O)CNC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000823920184 609265439 /nfs/dbraw/zinc/26/54/39/609265439.db2.gz ZTBITRFGIRNMIJ-UHFFFAOYSA-N -1 3 375.458 0.697 20 30 GCEDHM O=C(NCCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826477516 609293058 /nfs/dbraw/zinc/29/30/58/609293058.db2.gz FQKQZEZIBUGLIT-DTQAZKPQSA-N -1 3 387.787 0.776 20 30 GCEDHM O=C(NCCNC(=O)C1N=CC=CC1=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826477516 609293060 /nfs/dbraw/zinc/29/30/60/609293060.db2.gz FQKQZEZIBUGLIT-DTQAZKPQSA-N -1 3 387.787 0.776 20 30 GCEDHM Cn1cc(CN=Nc2ccc(C(N)=O)nn2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360763 609306498 /nfs/dbraw/zinc/30/64/98/609306498.db2.gz XCOOSTBJIYDPKA-UHFFFAOYSA-N -1 3 389.383 0.602 20 30 GCEDHM Cn1cc(CN=Nc2ccc(C(N)=O)nn2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360763 609306500 /nfs/dbraw/zinc/30/65/00/609306500.db2.gz XCOOSTBJIYDPKA-UHFFFAOYSA-N -1 3 389.383 0.602 20 30 GCEDHM N#Cc1ccc([C@@H](O)C(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826384562 609634004 /nfs/dbraw/zinc/63/40/04/609634004.db2.gz AJJFVRWWMDRRIW-QGZVFWFLSA-N -1 3 392.375 0.631 20 30 GCEDHM N#Cc1ccc([C@@H](O)C(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826384562 609634005 /nfs/dbraw/zinc/63/40/05/609634005.db2.gz AJJFVRWWMDRRIW-QGZVFWFLSA-N -1 3 392.375 0.631 20 30 GCEDHM N#Cc1ccc([C@H](O)C(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826384561 609634046 /nfs/dbraw/zinc/63/40/46/609634046.db2.gz AJJFVRWWMDRRIW-KRWDZBQOSA-N -1 3 392.375 0.631 20 30 GCEDHM N#Cc1ccc([C@H](O)C(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826384561 609634047 /nfs/dbraw/zinc/63/40/47/609634047.db2.gz AJJFVRWWMDRRIW-KRWDZBQOSA-N -1 3 392.375 0.631 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCCS(=O)(=O)CC)ccc1F ZINC000840548627 638551358 /nfs/dbraw/zinc/55/13/58/638551358.db2.gz AEQMWAIYRSVXBG-UHFFFAOYSA-N -1 3 392.474 0.845 20 30 GCEDHM C#CCOc1ccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1 ZINC000108290647 638686401 /nfs/dbraw/zinc/68/64/01/638686401.db2.gz XQENSLMIVCUYBE-UHFFFAOYSA-N -1 3 378.182 0.950 20 30 GCEDHM C#CCNC(=O)COC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000019041708 638717280 /nfs/dbraw/zinc/71/72/80/638717280.db2.gz AMPBCSWCYJIOOL-UHFFFAOYSA-N -1 3 393.248 0.954 20 30 GCEDHM C#CCNS(=O)(=O)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000895917399 639033991 /nfs/dbraw/zinc/03/39/91/639033991.db2.gz FRCCYPFRAXDUFW-UHFFFAOYSA-N -1 3 388.287 0.740 20 30 GCEDHM N#CC1CN(S(=O)(=O)c2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)C1 ZINC000590089723 639594175 /nfs/dbraw/zinc/59/41/75/639594175.db2.gz UIZQWEDTKHHXIC-UHFFFAOYSA-N -1 3 383.373 0.671 20 30 GCEDHM C#CCN1CCC[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000923586635 640144308 /nfs/dbraw/zinc/14/43/08/640144308.db2.gz YFZSNVJDAXOQLS-LLVKDONJSA-N -1 3 375.903 0.894 20 30 GCEDHM O=C(NCC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C1N=CC=CC1=O ZINC000742294764 640241112 /nfs/dbraw/zinc/24/11/12/640241112.db2.gz CMGPBJOBOHEWSU-YPKPFQOOSA-N -1 3 375.328 0.909 20 30 GCEDHM C[C@H](CC(=O)NCCCS(C)(=O)=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742570160 640247032 /nfs/dbraw/zinc/24/70/32/640247032.db2.gz IVNDKSRYYCLWDW-LLVKDONJSA-N -1 3 387.483 0.055 20 30 GCEDHM CCS(=O)(=O)CCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742627915 640247832 /nfs/dbraw/zinc/24/78/32/640247832.db2.gz MCKDKVXFAACYEW-NSHDSACASA-N -1 3 387.483 0.055 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCCS(N)(=O)=O)ccc1F ZINC000744688061 640272016 /nfs/dbraw/zinc/27/20/16/640272016.db2.gz MFFCMQXHDZWXSA-UHFFFAOYSA-N -1 3 380.419 0.125 20 30 GCEDHM CCN(CCC#N)C(=O)COC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000750216662 640359611 /nfs/dbraw/zinc/35/96/11/640359611.db2.gz LPNAREPAKFCBAP-UHFFFAOYSA-N -1 3 393.874 0.985 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000752253761 640405090 /nfs/dbraw/zinc/40/50/90/640405090.db2.gz HZIZSADTAKSFSR-NSHDSACASA-N -1 3 375.903 0.894 20 30 GCEDHM C=CCCOCC[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867017274 640510166 /nfs/dbraw/zinc/51/01/66/640510166.db2.gz JMWMHXWQSRIHCM-UHFFFAOYSA-N -1 3 385.227 0.896 20 30 GCEDHM C[C@@H](CC(=O)NCc1csc(=O)[nH]1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000760174204 640564906 /nfs/dbraw/zinc/56/49/06/640564906.db2.gz VIPDRPFIRIDWLR-VIFPVBQESA-N -1 3 380.451 0.982 20 30 GCEDHM CSC[C@H](CCO)NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000761914178 640597871 /nfs/dbraw/zinc/59/78/71/640597871.db2.gz CHCSHFWMYVJYRY-NEPJUHHUSA-N -1 3 385.511 0.734 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCS2(=O)=O)ccc1F ZINC000766349882 640695257 /nfs/dbraw/zinc/69/52/57/640695257.db2.gz JXGYBWWHNSRPJJ-LBPRGKRZSA-N -1 3 390.458 0.597 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OC[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000788909552 641379488 /nfs/dbraw/zinc/37/94/88/641379488.db2.gz UZMIEIHPDFVRBG-LLVKDONJSA-N -1 3 391.442 0.882 20 30 GCEDHM Cc1nnsc1CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000794954402 641500949 /nfs/dbraw/zinc/50/09/49/641500949.db2.gz VAZLIDJKWJFGPM-SECBINFHSA-N -1 3 379.467 0.980 20 30 GCEDHM N#CCNC(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000796219833 641540311 /nfs/dbraw/zinc/54/03/11/641540311.db2.gz JQDGBCRIUOFENH-UHFFFAOYSA-N -1 3 377.176 0.275 20 30 GCEDHM C#CCC[C@@H](O)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000798444149 641586219 /nfs/dbraw/zinc/58/62/19/641586219.db2.gz PILXZYWLHOVWAN-SNVBAGLBSA-N -1 3 379.891 0.753 20 30 GCEDHM C#CCC[C@@H](O)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC ZINC000798485760 641587288 /nfs/dbraw/zinc/58/72/88/641587288.db2.gz JQBKBMPIFOBGLR-CYBMUJFWSA-N -1 3 390.483 0.509 20 30 GCEDHM O=C(Nc1ccncc1I)N[C@@H]1CCCN([O-])C1=O ZINC000879127739 641607505 /nfs/dbraw/zinc/60/75/05/641607505.db2.gz AAVLOCXJHSWFCC-SECBINFHSA-N -1 3 376.154 0.610 20 30 GCEDHM Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCCN([O-])C2=O)s1 ZINC000816756756 641864664 /nfs/dbraw/zinc/86/46/64/641864664.db2.gz DRIDZRUHUYITGI-VXGBXAGGSA-N -1 3 387.483 0.706 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCCCS(N)(=O)=O)ccc1F ZINC000818124524 641901321 /nfs/dbraw/zinc/90/13/21/641901321.db2.gz GVWRHRIIGLBHOY-UHFFFAOYSA-N -1 3 393.462 0.089 20 30 GCEDHM CS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000820471239 641960696 /nfs/dbraw/zinc/96/06/96/641960696.db2.gz QEIYILOMGKQNEB-NSHDSACASA-N -1 3 391.243 0.963 20 30 GCEDHM O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N[C@@H]1CCCN([O-])C1=O ZINC000820482302 641961497 /nfs/dbraw/zinc/96/14/97/641961497.db2.gz HHUICXJAASKKFM-GFCCVEGCSA-N -1 3 387.483 0.572 20 30 GCEDHM C#C[C@H]([N-]S(=O)(=O)c1cnn(C)c1I)[C@@H]1CCCO1 ZINC000867125201 642229796 /nfs/dbraw/zinc/22/97/96/642229796.db2.gz URIPULGFPPFHFN-IUCAKERBSA-N -1 3 395.222 0.484 20 30 GCEDHM C#C[C@H]([N-]S(=O)(=O)c1cnn(C)c1I)[C@H]1CCCO1 ZINC000867125199 642230167 /nfs/dbraw/zinc/23/01/67/642230167.db2.gz URIPULGFPPFHFN-DTWKUNHWSA-N -1 3 395.222 0.484 20 30 GCEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000848135625 642528860 /nfs/dbraw/zinc/52/88/60/642528860.db2.gz GMBDPTIQBAFALH-CYBMUJFWSA-N -1 3 387.845 0.844 20 30 GCEDHM C#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1cncc(F)c1 ZINC000848958659 642573446 /nfs/dbraw/zinc/57/34/46/642573446.db2.gz WIPBVEZMLVWKMI-UHFFFAOYSA-N -1 3 375.447 0.780 20 30 GCEDHM C#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cnccc1SC ZINC000848961539 642586079 /nfs/dbraw/zinc/58/60/79/642586079.db2.gz AIHROSZPOFCLLV-UHFFFAOYSA-N -1 3 377.513 0.830 20 30 GCEDHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)NCC(=O)NCC#N)c2)[n-]1 ZINC000511897844 1192181812 /nfs/dbraw/zinc/18/18/12/1192181812.db2.gz WCRWDSZWQGHIQY-UHFFFAOYSA-N -1 3 385.384 0.087 20 30 GCEDHM CCOC(=O)c1nc(-c2cccc(CNC(=O)NCC(=O)NCC#N)c2)n[n-]1 ZINC000511897844 1192181814 /nfs/dbraw/zinc/18/18/14/1192181814.db2.gz WCRWDSZWQGHIQY-UHFFFAOYSA-N -1 3 385.384 0.087 20 30 GCEDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C(=O)N1c1cnn(C)c1 ZINC000610269806 1184714394 /nfs/dbraw/zinc/71/43/94/1184714394.db2.gz KZNHUXSRMSSYCB-HZMBPMFUSA-N -1 3 377.401 0.903 20 30 GCEDHM COCCCS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC001670449954 1184941103 /nfs/dbraw/zinc/94/11/03/1184941103.db2.gz LZSLOWCUWCFXIN-AWEZNQCLSA-N -1 3 385.442 0.999 20 30 GCEDHM CC(C)OCCS(=O)(=O)[N-]CC(=O)OCC(=O)Nc1cccc(C#N)c1 ZINC000748152980 1185100246 /nfs/dbraw/zinc/10/02/46/1185100246.db2.gz OFTPIROLTDFJCU-UHFFFAOYSA-N -1 3 383.426 0.384 20 30 GCEDHM Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC001670649752 1185223346 /nfs/dbraw/zinc/22/33/46/1185223346.db2.gz KELMLLDIYMNJBP-HNNXBMFYSA-N -1 3 391.428 0.901 20 30 GCEDHM C[C@@H]1[C@H](C)N(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)[C@@H](C)C(=O)N1C ZINC000892162890 1186389134 /nfs/dbraw/zinc/38/91/34/1186389134.db2.gz GUHXSZNQGGFHLK-WOPDTQHZSA-N -1 3 378.454 0.191 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000582198405 1186462130 /nfs/dbraw/zinc/46/21/30/1186462130.db2.gz ZMZKFZSMCXYXGV-CYBMUJFWSA-N -1 3 380.470 0.701 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H](C(=O)OC)C2)ccc1F ZINC000728540075 1186756301 /nfs/dbraw/zinc/75/63/01/1186756301.db2.gz NWXFTQJNVBAZGM-ZDUSSCGKSA-N -1 3 386.401 0.304 20 30 GCEDHM CC(C[N-]S(=O)(=O)c1ccc(C#N)o1)CNS(=O)(=O)c1ccc(C#N)o1 ZINC000294645890 1188072706 /nfs/dbraw/zinc/07/27/06/1188072706.db2.gz QISMBERWUVDDLQ-UHFFFAOYSA-N -1 3 398.422 0.509 20 30 GCEDHM C=CCNS(=O)(=O)c1ccc(C(=O)[N-]N2C(=O)N[C@@](C)(CC)C2=O)cc1 ZINC000278821800 1189382710 /nfs/dbraw/zinc/38/27/10/1189382710.db2.gz PPNPYTKLCKPMQA-INIZCTEOSA-N -1 3 380.426 0.516 20 30 GCEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000330138257 1189747407 /nfs/dbraw/zinc/74/74/07/1189747407.db2.gz VKMOGQFRNBATHJ-VIFPVBQESA-N -1 3 376.339 0.561 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NCCc1cccc([N+](=O)[O-])c1 ZINC000759874936 1189795411 /nfs/dbraw/zinc/79/54/11/1189795411.db2.gz MKYJVARXOXABMC-UHFFFAOYSA-N -1 3 388.405 0.992 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000015513000 1193792485 /nfs/dbraw/zinc/79/24/85/1193792485.db2.gz FRHSGMWHKHDTPB-UHFFFAOYSA-N -1 3 388.449 0.760 20 30 GCEDHM CCN(CCC#N)S(=O)(=O)NC[C@@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000420774486 1194262165 /nfs/dbraw/zinc/26/21/65/1194262165.db2.gz YHGBPFONIJGJER-CYBMUJFWSA-N -1 3 387.433 0.933 20 30 GCEDHM C[C@@H](C#N)CN(C)S(=O)(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436496955 1195011461 /nfs/dbraw/zinc/01/14/61/1195011461.db2.gz RILRVBZIQXJKQW-ZDUSSCGKSA-N -1 3 380.470 0.923 20 30 GCEDHM COCCN(CCC#N)S(=O)(=O)[N-][C@H](C(=O)OC)[C@H]1CCC[C@H](OC)C1 ZINC000516575319 1195070315 /nfs/dbraw/zinc/07/03/15/1195070315.db2.gz LVLSWWGDVCRBHJ-KKUMJFAQSA-N -1 3 391.490 0.430 20 30 GCEDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000427159512 1195511950 /nfs/dbraw/zinc/51/19/50/1195511950.db2.gz GKSJPJKQKFMTEY-VIFPVBQESA-N -1 3 377.382 0.373 20 30 GCEDHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCC(=O)Nc1cccc(C#N)c1 ZINC000019610235 1195964082 /nfs/dbraw/zinc/96/40/82/1195964082.db2.gz PVWVHLREWMUOMS-UHFFFAOYSA-N -1 3 392.393 0.623 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000529725386 1196934731 /nfs/dbraw/zinc/93/47/31/1196934731.db2.gz VSKRGERRPCKEIS-UHFFFAOYSA-N -1 3 392.481 0.845 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]2C(=O)NC)ccc1F ZINC000765834429 1198992699 /nfs/dbraw/zinc/99/26/99/1198992699.db2.gz LLNMRUKVTXFABM-TZMCWYRMSA-N -1 3 383.445 0.935 20 30 GCEDHM CCOC(=O)c1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)[n-]n1 ZINC000542833037 1199070713 /nfs/dbraw/zinc/07/07/13/1199070713.db2.gz NDJANNGISXVFHQ-SNVBAGLBSA-N -1 3 391.409 0.764 20 30 GCEDHM CCOC(=O)c1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)n[n-]1 ZINC000542833037 1199070715 /nfs/dbraw/zinc/07/07/15/1199070715.db2.gz NDJANNGISXVFHQ-SNVBAGLBSA-N -1 3 391.409 0.764 20 30 GCEDHM CCOC(=O)c1nnc(C2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)[n-]1 ZINC000282307976 1199082194 /nfs/dbraw/zinc/08/21/94/1199082194.db2.gz MYKXPJWAVZXPON-LLVKDONJSA-N -1 3 384.462 0.640 20 30 GCEDHM CCOC(=O)c1nc(C2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)n[n-]1 ZINC000282307976 1199082205 /nfs/dbraw/zinc/08/22/05/1199082205.db2.gz MYKXPJWAVZXPON-LLVKDONJSA-N -1 3 384.462 0.640 20 30 GCEDHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000330623400 1199859481 /nfs/dbraw/zinc/85/94/81/1199859481.db2.gz DXPAHPRCXYXCPY-CYBMUJFWSA-N -1 3 380.470 0.749 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC(=O)N(CCOC)C2)ccc1F ZINC000282392533 1199880922 /nfs/dbraw/zinc/88/09/22/1199880922.db2.gz HAEDYXRXJMBDLU-UHFFFAOYSA-N -1 3 385.417 0.178 20 30 GCEDHM N#CCCNS(=O)(=O)c1ccc(C(=O)[N-]N2C(=O)c3ccccc3C2=O)cc1 ZINC000728159198 1201403550 /nfs/dbraw/zinc/40/35/50/1201403550.db2.gz SCGYSAREQGCCPB-UHFFFAOYSA-N -1 3 398.400 0.820 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCS(=O)CC1 ZINC000731008456 1201469486 /nfs/dbraw/zinc/46/94/86/1201469486.db2.gz SKXJFZYKPLTWDQ-AWEZNQCLSA-N -1 3 397.522 0.731 20 30 GCEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCc1nnnn1C ZINC000733379585 1201587497 /nfs/dbraw/zinc/58/74/97/1201587497.db2.gz GDIUWCUZGZCHCU-GFCCVEGCSA-N -1 3 392.441 0.407 20 30 GCEDHM CN(C)C(=O)c1cc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)ccn1 ZINC000734233487 1201646145 /nfs/dbraw/zinc/64/61/45/1201646145.db2.gz KUMBZOXWTFMVSG-UHFFFAOYSA-N -1 3 387.421 0.461 20 30 GCEDHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000734566019 1201655326 /nfs/dbraw/zinc/65/53/26/1201655326.db2.gz JKFGKNYVOGOPBA-AWEZNQCLSA-N -1 3 392.393 0.211 20 30 GCEDHM COc1cc(OC)c(OC)cc1CNC(=O)Cn1ccc(C=N[O-])nc1=O ZINC000736302154 1201713716 /nfs/dbraw/zinc/71/37/16/1201713716.db2.gz HFDFSWVRYVTNSU-UHFFFAOYSA-N -1 3 376.369 0.394 20 30 GCEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000739153511 1201741039 /nfs/dbraw/zinc/74/10/39/1201741039.db2.gz CWLGGDFDBBVXOQ-ZDUSSCGKSA-N -1 3 391.387 0.902 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NCCCOC[C@H]1CCOC1 ZINC000740790629 1201750191 /nfs/dbraw/zinc/75/01/91/1201750191.db2.gz LDWUWTRLTTYHEE-CYBMUJFWSA-N -1 3 381.454 0.285 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NCCCOC[C@@H]1CCOC1 ZINC000740790630 1201750221 /nfs/dbraw/zinc/75/02/21/1201750221.db2.gz LDWUWTRLTTYHEE-ZDUSSCGKSA-N -1 3 381.454 0.285 20 30 GCEDHM CCN(CC)C(=O)CN(C)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742488560 1201799161 /nfs/dbraw/zinc/79/91/61/1201799161.db2.gz DUGDIGCFTFKBQK-CYBMUJFWSA-N -1 3 394.497 0.831 20 30 GCEDHM CCN(CCC(=O)OC)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742565862 1201802169 /nfs/dbraw/zinc/80/21/69/1201802169.db2.gz HNXFYPXBRKZYQU-LBPRGKRZSA-N -1 3 381.454 0.915 20 30 GCEDHM C[C@H](CC(=O)NCC(=O)N1CCCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742629993 1201803655 /nfs/dbraw/zinc/80/36/55/1201803655.db2.gz QJIAPLGKDJUGLY-CYBMUJFWSA-N -1 3 392.481 0.632 20 30 GCEDHM C[C@@H](CC(=O)N1CCC2(C1)OCCO2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742634374 1201803923 /nfs/dbraw/zinc/80/39/23/1201803923.db2.gz ZONOAXGSNWLVRV-LBPRGKRZSA-N -1 3 379.438 0.479 20 30 GCEDHM CNC(=O)[C@@H]1CCCN(C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000742659968 1201803970 /nfs/dbraw/zinc/80/39/70/1201803970.db2.gz RJKYBMGPMQTYCW-QWHCGFSZSA-N -1 3 392.481 0.488 20 30 GCEDHM C[C@H](CC(=O)N1CCNC(=O)C[C@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742708130 1201805117 /nfs/dbraw/zinc/80/51/17/1201805117.db2.gz VMQADKCSJFLVAZ-VXGBXAGGSA-N -1 3 378.454 0.241 20 30 GCEDHM C[C@H](CC(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742692031 1201806021 /nfs/dbraw/zinc/80/60/21/1201806021.db2.gz BPTLXPXCVYRIOR-FGNAZAKOSA-N -1 3 397.522 0.872 20 30 GCEDHM CCN1C[C@H](COC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1=O ZINC000744170501 1201838053 /nfs/dbraw/zinc/83/80/53/1201838053.db2.gz UKPPESAYIIHBHQ-CHWSQXEVSA-N -1 3 393.465 0.915 20 30 GCEDHM COCCCNC(=O)COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745495733 1201879425 /nfs/dbraw/zinc/87/94/25/1201879425.db2.gz IGZYAYRCEHUDLH-LBPRGKRZSA-N -1 3 397.453 0.200 20 30 GCEDHM CCCCNC(=O)COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745494709 1201879893 /nfs/dbraw/zinc/87/98/93/1201879893.db2.gz BHJQXMLWXFUSNA-LBPRGKRZSA-N -1 3 381.454 0.963 20 30 GCEDHM Cc1nnc(COC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1C ZINC000745497511 1201880081 /nfs/dbraw/zinc/88/00/81/1201880081.db2.gz VCKDMXXDMQAJDX-SNVBAGLBSA-N -1 3 377.426 0.684 20 30 GCEDHM N#CCn1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cn1 ZINC000746355175 1201912755 /nfs/dbraw/zinc/91/27/55/1201912755.db2.gz VERFSLZSJAZLQM-UHFFFAOYSA-N -1 3 382.380 0.035 20 30 GCEDHM CS(=O)(=O)C1CCC(N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])CC1 ZINC001169871443 1201958787 /nfs/dbraw/zinc/95/87/87/1201958787.db2.gz WLUUIJIAQLWOCB-MCIGGMRASA-N -1 3 390.464 0.358 20 30 GCEDHM COc1cc(C=NNC(=S)NCCCN2CCOCC2)c([N+](=O)[O-])cc1[O-] ZINC000767105923 1201965989 /nfs/dbraw/zinc/96/59/89/1201965989.db2.gz IYTQJVQDGDVTGJ-UHFFFAOYSA-N -1 3 397.457 0.829 20 30 GCEDHM NC(=O)COc1ccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000746492106 1201987650 /nfs/dbraw/zinc/98/76/50/1201987650.db2.gz PASBPWYFNMYZBU-UHFFFAOYSA-N -1 3 392.393 0.912 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1CS(N)(=O)=O ZINC000769595115 1202064518 /nfs/dbraw/zinc/06/45/18/1202064518.db2.gz SNIQLTNGJQWKQL-ZDUSSCGKSA-N -1 3 380.470 0.878 20 30 GCEDHM C[C@H](CC(=O)N[C@H](C)[C@@H]1CN(C)CCO1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000770234608 1202089645 /nfs/dbraw/zinc/08/96/45/1202089645.db2.gz BUSPGRPSVMXCGE-NFAWXSAZSA-N -1 3 394.497 0.339 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N[C@H](CO)c1ccc(F)cc1 ZINC000771127650 1202124233 /nfs/dbraw/zinc/12/42/33/1202124233.db2.gz BBVAEJKVJATMIX-CQSZACIVSA-N -1 3 377.397 0.714 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NC[C@H](O)c1ccccc1F ZINC000746709969 1205405841 /nfs/dbraw/zinc/40/58/41/1205405841.db2.gz IPZGRCZHNLEHEW-AWEZNQCLSA-N -1 3 377.397 0.714 20 30 GCEDHM COC[C@H](NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)[C@@H]1CCCO1 ZINC000790271556 1205461531 /nfs/dbraw/zinc/46/15/31/1205461531.db2.gz PWFUTJNWUXRLJO-QEJZJMRPSA-N -1 3 395.481 0.814 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NCCOc1ncccc1F ZINC000746894990 1205462025 /nfs/dbraw/zinc/46/20/25/1205462025.db2.gz HANYFYYWKVECLF-UHFFFAOYSA-N -1 3 378.385 0.454 20 30 GCEDHM C[C@H](CC(=O)N1CC(=O)N(C2CC2)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000791093752 1205473737 /nfs/dbraw/zinc/47/37/37/1205473737.db2.gz VQNPEXKGHZMFIO-LLVKDONJSA-N -1 3 376.438 0.294 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCCCC(N)=O ZINC000772840701 1205510441 /nfs/dbraw/zinc/51/04/41/1205510441.db2.gz PTGBCEBGJJGRON-AWEZNQCLSA-N -1 3 394.497 0.912 20 30 GCEDHM CC(C)(NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCCC1 ZINC000794406333 1205514061 /nfs/dbraw/zinc/51/40/61/1205514061.db2.gz KKZWOLYTSKZLQH-UHFFFAOYSA-N -1 3 378.454 0.242 20 30 GCEDHM C[C@@H](CC(=O)NCCn1cnc(C#N)n1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000804623160 1205519245 /nfs/dbraw/zinc/51/92/45/1205519245.db2.gz UREZAEMQYXXSCH-JTQLQIEISA-N -1 3 397.848 0.071 20 30 GCEDHM COC1([C@H](C)NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CCOCC1 ZINC001130015653 1205528740 /nfs/dbraw/zinc/52/87/40/1205528740.db2.gz HIPXRDKKSURTCQ-LBPRGKRZSA-N -1 3 381.454 0.425 20 30 GCEDHM CCOC(=O)C[C@H](OC(=O)CN=C1[N-]S(=O)(=O)c2ccccc21)C(C)=O ZINC000805340495 1205623183 /nfs/dbraw/zinc/62/31/83/1205623183.db2.gz GCYKLIUHFFTCND-LBPRGKRZSA-N -1 3 382.394 0.179 20 30 GCEDHM C#Cc1cccc(NC(=O)CNC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000810172076 1205634653 /nfs/dbraw/zinc/63/46/53/1205634653.db2.gz FADLTTJNSKYXII-UHFFFAOYSA-N -1 3 390.421 0.306 20 30 GCEDHM CN1C(=O)c2ccccc2[C@H]1CNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001132200502 1205635678 /nfs/dbraw/zinc/63/56/78/1205635678.db2.gz NIHDFXUXWNAPIB-OAHLLOKOSA-N -1 3 398.444 0.668 20 30 GCEDHM C[C@H](CC(=O)OCCc1nncn1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000810691161 1205641555 /nfs/dbraw/zinc/64/15/55/1205641555.db2.gz ULGZRZZMDUULLM-LLVKDONJSA-N -1 3 377.426 0.418 20 30 GCEDHM COCCc1nc(COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)no1 ZINC000811035559 1205645764 /nfs/dbraw/zinc/64/57/64/1205645764.db2.gz NMWPJVURWFVMOF-UHFFFAOYSA-N -1 3 380.382 0.040 20 30 GCEDHM CO[C@@H](C)c1noc(COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000747676794 1205647500 /nfs/dbraw/zinc/64/75/00/1205647500.db2.gz LEXUAHSLTXDFDX-VIFPVBQESA-N -1 3 380.382 0.559 20 30 GCEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Nc2ccccc2S(N)(=O)=O)c1 ZINC000811186260 1205648845 /nfs/dbraw/zinc/64/88/45/1205648845.db2.gz IOWFHINUZXQXEU-UHFFFAOYSA-N -1 3 375.362 0.707 20 30 GCEDHM C#CCO[N-]C(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000812786365 1205668299 /nfs/dbraw/zinc/66/82/99/1205668299.db2.gz HZTZKMWNNMYLDJ-UHFFFAOYSA-N -1 3 382.438 0.978 20 30 GCEDHM CNC(=O)c1ccsc1NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001133869470 1205678764 /nfs/dbraw/zinc/67/87/64/1205678764.db2.gz ZUQKJJYVMUKUNT-UHFFFAOYSA-N -1 3 378.435 0.785 20 30 GCEDHM C[C@@H](CC(=O)NCC(C)(C)OCCO)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000813843833 1205680850 /nfs/dbraw/zinc/68/08/50/1205680850.db2.gz HIJUDBFWHXOZKB-LBPRGKRZSA-N -1 3 383.470 0.407 20 30 GCEDHM CNC(=O)[C@H](C)CN(C)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000747933113 1205690007 /nfs/dbraw/zinc/69/00/07/1205690007.db2.gz YQIQMAQNDGAFLR-NEPJUHHUSA-N -1 3 380.470 0.344 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 ZINC001134294871 1205690215 /nfs/dbraw/zinc/69/02/15/1205690215.db2.gz KCIAAVOJGQENIW-CYBMUJFWSA-N -1 3 381.454 0.480 20 30 GCEDHM N#CC(Cc1cccs1)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001177915208 1205779266 /nfs/dbraw/zinc/77/92/66/1205779266.db2.gz KSOWCFPWAOLAOG-RISCZKNCSA-N -1 3 389.437 0.472 20 30 GCEDHM N#CC(Cc1cccs1)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001177915204 1205779437 /nfs/dbraw/zinc/77/94/37/1205779437.db2.gz KSOWCFPWAOLAOG-FZMZJTMJSA-N -1 3 389.437 0.472 20 30 GCEDHM N#CC(Cc1cccs1)C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-] ZINC001177917858 1205779486 /nfs/dbraw/zinc/77/94/86/1205779486.db2.gz MQHLGGUCGOZPPE-PWSUYJOCSA-N -1 3 393.427 0.973 20 30 GCEDHM C[C@H](CC(=O)N[C@@H]1CC[C@@H](O)[C@@H](O)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001178282148 1205784828 /nfs/dbraw/zinc/78/48/28/1205784828.db2.gz XRBJORORSJWZLA-GBOPCIDUSA-N -1 3 395.481 0.284 20 30 GCEDHM O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=NNC(=S)NCCN1CCOCC1 ZINC000774319609 1205869443 /nfs/dbraw/zinc/86/94/43/1205869443.db2.gz GLYVVIYSVNYWRM-UHFFFAOYSA-N -1 3 396.404 0.186 20 30 GCEDHM C=CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185598225 1205925378 /nfs/dbraw/zinc/92/53/78/1205925378.db2.gz YMTJIIIEKUZSFL-CYBMUJFWSA-N -1 3 392.441 0.932 20 30 GCEDHM C=CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185598225 1205925379 /nfs/dbraw/zinc/92/53/79/1205925379.db2.gz YMTJIIIEKUZSFL-CYBMUJFWSA-N -1 3 392.441 0.932 20 30 GCEDHM C[C@H]1CN([O-])C(=O)[C@H]1NS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001185779058 1205928937 /nfs/dbraw/zinc/92/89/37/1205928937.db2.gz ITVUGYAKHRJDNF-JQWIXIFHSA-N -1 3 377.463 0.541 20 30 GCEDHM COC(=O)n1ncc(C#N)c1[N-]C(=O)c1n[nH]cc1I ZINC001189139195 1205997424 /nfs/dbraw/zinc/99/74/24/1205997424.db2.gz HGMMFEOBACYXAM-UHFFFAOYSA-N -1 3 386.109 0.949 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCc3n[nH]c(=O)cc3C2)ccc1F ZINC000775315100 1206016501 /nfs/dbraw/zinc/01/65/01/1206016501.db2.gz ZWKGSRHEAIJHEK-UHFFFAOYSA-N -1 3 392.412 0.984 20 30 GCEDHM C#C[C@H](NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)[C@@H]1CCCO1 ZINC000775333810 1206020507 /nfs/dbraw/zinc/02/05/07/1206020507.db2.gz WRYREGOBFGFUSB-QEJZJMRPSA-N -1 3 375.450 0.801 20 30 GCEDHM COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190670207 1206040545 /nfs/dbraw/zinc/04/05/45/1206040545.db2.gz HFPPJMUUZXHDPE-GWCFXTLKSA-N -1 3 383.401 0.528 20 30 GCEDHM CCS(=O)(=O)N1CCC([N-]S(=O)(=O)c2cc(C#N)ccc2F)CC1 ZINC001190660905 1206040801 /nfs/dbraw/zinc/04/08/01/1206040801.db2.gz HZJZUGPNRWPGAU-UHFFFAOYSA-N -1 3 375.447 0.790 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)[C@@H](C)CC#N ZINC000820443970 945450652 /nfs/dbraw/zinc/45/06/52/945450652.db2.gz CKBCGJPYOARODX-WDEREUQCSA-N -1 3 377.430 0.294 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)[C@@H](C)CC#N ZINC000820443970 945450658 /nfs/dbraw/zinc/45/06/58/945450658.db2.gz CKBCGJPYOARODX-WDEREUQCSA-N -1 3 377.430 0.294 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCN(C2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)CC1 ZINC001571272059 945653941 /nfs/dbraw/zinc/65/39/41/945653941.db2.gz OAKSVIXZDKSZNT-GFCCVEGCSA-N -1 3 386.485 0.416 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCN(C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CC1 ZINC001571272059 945653945 /nfs/dbraw/zinc/65/39/45/945653945.db2.gz OAKSVIXZDKSZNT-GFCCVEGCSA-N -1 3 386.485 0.416 20 30 GCEDHM N#Cc1ccc2c(c1)C[C@H](NC(=O)CNC(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC001571276719 945736412 /nfs/dbraw/zinc/73/64/12/945736412.db2.gz KBNJRGIDSKSSEK-QGZVFWFLSA-N -1 3 387.403 0.752 20 30 GCEDHM N#Cc1ccc2c(c1)C[C@H](NC(=O)CNC(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001571276719 945736416 /nfs/dbraw/zinc/73/64/16/945736416.db2.gz KBNJRGIDSKSSEK-QGZVFWFLSA-N -1 3 387.403 0.752 20 30 GCEDHM Cc1[nH]nc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1-c1nnn[n-]1 ZINC001571294859 946147574 /nfs/dbraw/zinc/14/75/74/946147574.db2.gz NVYHIQPKWZNYLN-UHFFFAOYSA-N -1 3 390.360 0.587 20 30 GCEDHM N#Cc1cncc(N2CC[C@@]3(NC(=O)c4c[nH]c(-c5nnn[n-]5)c4)CCC[C@@H]23)n1 ZINC001571295691 946171907 /nfs/dbraw/zinc/17/19/07/946171907.db2.gz CICBMOUIJMWZFN-KDOFPFPSSA-N -1 3 390.411 0.788 20 30 GCEDHM N#Cc1cncc(N2CC[C@@]3(NC(=O)c4c[nH]c(-c5nn[n-]n5)c4)CCC[C@@H]23)n1 ZINC001571295691 946171914 /nfs/dbraw/zinc/17/19/14/946171914.db2.gz CICBMOUIJMWZFN-KDOFPFPSSA-N -1 3 390.411 0.788 20 30 GCEDHM N#Cc1ccc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001571295735 946172048 /nfs/dbraw/zinc/17/20/48/946172048.db2.gz DKMQFTKGUUNZHG-LSDHHAIUSA-N -1 3 390.411 0.740 20 30 GCEDHM N#Cc1ccc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001571295735 946172057 /nfs/dbraw/zinc/17/20/57/946172057.db2.gz DKMQFTKGUUNZHG-LSDHHAIUSA-N -1 3 390.411 0.740 20 30 GCEDHM Cc1cc(C#N)nc(N2C[C@@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@@H]3C2)n1 ZINC001571295906 946180474 /nfs/dbraw/zinc/18/04/74/946180474.db2.gz IZUWIPFQYGZAGH-TXEJJXNPSA-N -1 3 390.411 0.373 20 30 GCEDHM Cc1cc(C#N)nc(N2C[C@@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@@H]3C2)n1 ZINC001571295906 946180482 /nfs/dbraw/zinc/18/04/82/946180482.db2.gz IZUWIPFQYGZAGH-TXEJJXNPSA-N -1 3 390.411 0.373 20 30 GCEDHM N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(-c4nnn[n-]4)c2)C3)c[nH]1 ZINC001571301930 946288543 /nfs/dbraw/zinc/28/85/43/946288543.db2.gz IECWDVDLMSHWNV-NFAWXSAZSA-N -1 3 391.395 0.570 20 30 GCEDHM N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(-c4nn[n-]n4)c2)C3)c[nH]1 ZINC001571301930 946288546 /nfs/dbraw/zinc/28/85/46/946288546.db2.gz IECWDVDLMSHWNV-NFAWXSAZSA-N -1 3 391.395 0.570 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N2CC[C@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@H]32)c1 ZINC001571302235 946297429 /nfs/dbraw/zinc/29/74/29/946297429.db2.gz SCRLLSYBZHLLSA-XHDPSFHLSA-N -1 3 391.395 0.381 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N2CC[C@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@H]32)c1 ZINC001571302235 946297435 /nfs/dbraw/zinc/29/74/35/946297435.db2.gz SCRLLSYBZHLLSA-XHDPSFHLSA-N -1 3 391.395 0.381 20 30 GCEDHM C#CCCNC(=O)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000823845429 946490426 /nfs/dbraw/zinc/49/04/26/946490426.db2.gz RRGUSSMPDVXGLX-UHFFFAOYSA-N -1 3 384.787 0.784 20 30 GCEDHM CN(C[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1nccnc1C#N ZINC001571313589 946527308 /nfs/dbraw/zinc/52/73/08/946527308.db2.gz SHHHSCHDPCEKQE-CYBMUJFWSA-N -1 3 392.427 0.988 20 30 GCEDHM CN(C[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1nccnc1C#N ZINC001571313589 946527317 /nfs/dbraw/zinc/52/73/17/946527317.db2.gz SHHHSCHDPCEKQE-CYBMUJFWSA-N -1 3 392.427 0.988 20 30 GCEDHM C#CCC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC1 ZINC001573281533 946677422 /nfs/dbraw/zinc/67/74/22/946677422.db2.gz ZPIKPHPDLWXCMX-NHAGDIPZSA-N -1 3 379.424 0.575 20 30 GCEDHM C#CCC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC1 ZINC001573281533 946677430 /nfs/dbraw/zinc/67/74/30/946677430.db2.gz ZPIKPHPDLWXCMX-NHAGDIPZSA-N -1 3 379.424 0.575 20 30 GCEDHM C#CCN(C(=O)c1cocn1)C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573281630 946679765 /nfs/dbraw/zinc/67/97/65/946679765.db2.gz AMKKEXUQBKXOLF-UHFFFAOYSA-N -1 3 378.396 0.994 20 30 GCEDHM C#CCN(C(=O)c1cocn1)C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573281630 946679768 /nfs/dbraw/zinc/67/97/68/946679768.db2.gz AMKKEXUQBKXOLF-UHFFFAOYSA-N -1 3 378.396 0.994 20 30 GCEDHM C#CCN(C(=O)c1cn[nH]c1)C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573282479 946693506 /nfs/dbraw/zinc/69/35/06/946693506.db2.gz JKCQMLKDUHAXMX-UHFFFAOYSA-N -1 3 377.412 0.729 20 30 GCEDHM C#CCN(C(=O)c1cn[nH]c1)C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573282479 946693509 /nfs/dbraw/zinc/69/35/09/946693509.db2.gz JKCQMLKDUHAXMX-UHFFFAOYSA-N -1 3 377.412 0.729 20 30 GCEDHM C#CCC1(C(=O)NC[C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOCC1 ZINC001573284521 946749354 /nfs/dbraw/zinc/74/93/54/946749354.db2.gz FOMODIMJVUGVNL-LBPRGKRZSA-N -1 3 385.428 0.249 20 30 GCEDHM C#CCC1(C(=O)NC[C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOCC1 ZINC001573284521 946749360 /nfs/dbraw/zinc/74/93/60/946749360.db2.gz FOMODIMJVUGVNL-LBPRGKRZSA-N -1 3 385.428 0.249 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573285135 946767266 /nfs/dbraw/zinc/76/72/66/946767266.db2.gz DMIIGFAEQZHOJD-ZFWWWQNUSA-N -1 3 383.460 0.451 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573285135 946767276 /nfs/dbraw/zinc/76/72/76/946767276.db2.gz DMIIGFAEQZHOJD-ZFWWWQNUSA-N -1 3 383.460 0.451 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573285104 946768822 /nfs/dbraw/zinc/76/88/22/946768822.db2.gz CVZIYDWFRQQZHE-KGLIPLIRSA-N -1 3 381.444 0.157 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573285104 946768834 /nfs/dbraw/zinc/76/88/34/946768834.db2.gz CVZIYDWFRQQZHE-KGLIPLIRSA-N -1 3 381.444 0.157 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573285548 946780890 /nfs/dbraw/zinc/78/08/90/946780890.db2.gz IRZOWONRPMJPQG-IFXJQAMLSA-N -1 3 381.440 0.729 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573285548 946780901 /nfs/dbraw/zinc/78/09/01/946780901.db2.gz IRZOWONRPMJPQG-IFXJQAMLSA-N -1 3 381.440 0.729 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573285543 946781152 /nfs/dbraw/zinc/78/11/52/946781152.db2.gz IRCOTBQJKAORBS-ZYHUDNBSSA-N -1 3 375.820 0.966 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573285543 946781161 /nfs/dbraw/zinc/78/11/61/946781161.db2.gz IRCOTBQJKAORBS-ZYHUDNBSSA-N -1 3 375.820 0.966 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N(C)CCN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573286049 946794539 /nfs/dbraw/zinc/79/45/39/946794539.db2.gz SKNKNPHUBWLBHV-INIZCTEOSA-N -1 3 382.472 0.562 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N(C)CCN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573286049 946794546 /nfs/dbraw/zinc/79/45/46/946794546.db2.gz SKNKNPHUBWLBHV-INIZCTEOSA-N -1 3 382.472 0.562 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573286055 946795047 /nfs/dbraw/zinc/79/50/47/946795047.db2.gz SMHKOILWKOXCQM-RDJZCZTQSA-N -1 3 380.456 0.396 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573286055 946795051 /nfs/dbraw/zinc/79/50/51/946795051.db2.gz SMHKOILWKOXCQM-RDJZCZTQSA-N -1 3 380.456 0.396 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N[C@@](C)(CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573286220 946799781 /nfs/dbraw/zinc/79/97/81/946799781.db2.gz WOWGWJWDERMIDE-VOJFVSQTSA-N -1 3 385.428 0.248 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N[C@@](C)(CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573286220 946799788 /nfs/dbraw/zinc/79/97/88/946799788.db2.gz WOWGWJWDERMIDE-VOJFVSQTSA-N -1 3 385.428 0.248 20 30 GCEDHM C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC[C@@H]2C1 ZINC001573286462 946808996 /nfs/dbraw/zinc/80/89/96/946808996.db2.gz CDVMXQCDCQATJR-KGLIPLIRSA-N -1 3 397.439 0.155 20 30 GCEDHM C#CCOCCC(=O)N1C[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC[C@@H]2C1 ZINC001573286462 946809006 /nfs/dbraw/zinc/80/90/06/946809006.db2.gz CDVMXQCDCQATJR-KGLIPLIRSA-N -1 3 397.439 0.155 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NCCC1=CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573286492 946809139 /nfs/dbraw/zinc/80/91/39/946809139.db2.gz CPJZDGWAQKDCKS-AWEZNQCLSA-N -1 3 381.440 0.943 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NCCC1=CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573286492 946809148 /nfs/dbraw/zinc/80/91/48/946809148.db2.gz CPJZDGWAQKDCKS-AWEZNQCLSA-N -1 3 381.440 0.943 20 30 GCEDHM C#CCOCCC(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCC1 ZINC001573286460 946810216 /nfs/dbraw/zinc/81/02/16/946810216.db2.gz CCIREBDCAQUSQG-UHFFFAOYSA-N -1 3 385.428 0.394 20 30 GCEDHM C#CCOCCC(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCC1 ZINC001573286460 946810226 /nfs/dbraw/zinc/81/02/26/946810226.db2.gz CCIREBDCAQUSQG-UHFFFAOYSA-N -1 3 385.428 0.394 20 30 GCEDHM C#CCO[C@H](C)C(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCC1 ZINC001573286531 946812683 /nfs/dbraw/zinc/81/26/83/946812683.db2.gz DBJFFNBCUVACEW-GFCCVEGCSA-N -1 3 385.428 0.392 20 30 GCEDHM C#CCO[C@H](C)C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCC1 ZINC001573286531 946812692 /nfs/dbraw/zinc/81/26/92/946812692.db2.gz DBJFFNBCUVACEW-GFCCVEGCSA-N -1 3 385.428 0.392 20 30 GCEDHM C#Cc1ccc(C(=O)NCC2(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCC2)cn1 ZINC001573286776 946817565 /nfs/dbraw/zinc/81/75/65/946817565.db2.gz BAEHWDDLEXTLKA-UHFFFAOYSA-N -1 3 390.407 0.654 20 30 GCEDHM C#Cc1ccc(C(=O)NCC2(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCC2)cn1 ZINC001573286776 946817572 /nfs/dbraw/zinc/81/75/72/946817572.db2.gz BAEHWDDLEXTLKA-UHFFFAOYSA-N -1 3 390.407 0.654 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C)nc1 ZINC001573287086 946825766 /nfs/dbraw/zinc/82/57/66/946825766.db2.gz DTOQVRFSGRLFQI-BZNIZROVSA-N -1 3 390.407 0.462 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)nc1 ZINC001573287086 946825776 /nfs/dbraw/zinc/82/57/76/946825776.db2.gz DTOQVRFSGRLFQI-BZNIZROVSA-N -1 3 390.407 0.462 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CCO2)nc1 ZINC001573287064 946826866 /nfs/dbraw/zinc/82/68/66/946826866.db2.gz DNHHYPHSDRSOKF-OAHLLOKOSA-N -1 3 390.407 0.273 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CCO2)nc1 ZINC001573287064 946826876 /nfs/dbraw/zinc/82/68/76/946826876.db2.gz DNHHYPHSDRSOKF-OAHLLOKOSA-N -1 3 390.407 0.273 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@@H](O)CNc2snc(C)c2-c2nnn[n-]2)cc1 ZINC001573287106 946828466 /nfs/dbraw/zinc/82/84/66/946828466.db2.gz FDRACDHEVAOXAB-CYBMUJFWSA-N -1 3 383.437 0.816 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)C[C@H](O)CNc2ncccc2-c2nnn[n-]2)cn1 ZINC001573287407 946835075 /nfs/dbraw/zinc/83/50/75/946835075.db2.gz BVARTHHMCKVMGF-CQSZACIVSA-N -1 3 378.396 0.183 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)C[C@H](O)CNc2ncccc2-c2nn[n-]n2)cn1 ZINC001573287407 946835084 /nfs/dbraw/zinc/83/50/84/946835084.db2.gz BVARTHHMCKVMGF-CQSZACIVSA-N -1 3 378.396 0.183 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@H](C)CCCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001573287793 946846785 /nfs/dbraw/zinc/84/67/85/946846785.db2.gz KZLFBMQHTTZWFO-GFCCVEGCSA-N -1 3 392.423 0.900 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@H](C)CCCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001573287793 946846794 /nfs/dbraw/zinc/84/67/94/946846794.db2.gz KZLFBMQHTTZWFO-GFCCVEGCSA-N -1 3 392.423 0.900 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC(N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nc1 ZINC001573288052 946855222 /nfs/dbraw/zinc/85/52/22/946855222.db2.gz HOOWWVJVQSDPQW-UHFFFAOYSA-N -1 3 376.380 0.168 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC(N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nc1 ZINC001573288052 946855231 /nfs/dbraw/zinc/85/52/31/946855231.db2.gz HOOWWVJVQSDPQW-UHFFFAOYSA-N -1 3 376.380 0.168 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@@H]1CN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573288034 946855759 /nfs/dbraw/zinc/85/57/59/946855759.db2.gz RQPFWIOWWMKQJC-CQSZACIVSA-N -1 3 387.419 0.868 20 30 GCEDHM C#CCOCCC(=O)N1CCC[C@@H]1CN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573288034 946855765 /nfs/dbraw/zinc/85/57/65/946855765.db2.gz RQPFWIOWWMKQJC-CQSZACIVSA-N -1 3 387.419 0.868 20 30 GCEDHM C#CCO[C@H](C)C(=O)NCC1=CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573288042 946856644 /nfs/dbraw/zinc/85/66/44/946856644.db2.gz RVVZAIITZUQVNS-CQSZACIVSA-N -1 3 381.440 0.861 20 30 GCEDHM C#CCO[C@H](C)C(=O)NCC1=CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573288042 946856655 /nfs/dbraw/zinc/85/66/55/946856655.db2.gz RVVZAIITZUQVNS-CQSZACIVSA-N -1 3 381.440 0.861 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573288182 946860519 /nfs/dbraw/zinc/86/05/19/946860519.db2.gz SGXZMIQVCRNTLT-GXTWGEPZSA-N -1 3 387.419 0.914 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573288182 946860529 /nfs/dbraw/zinc/86/05/29/946860529.db2.gz SGXZMIQVCRNTLT-GXTWGEPZSA-N -1 3 387.419 0.914 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)CCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001573288260 946862514 /nfs/dbraw/zinc/86/25/14/946862514.db2.gz JEPFDYPEEQEBGB-UHFFFAOYSA-N -1 3 378.396 0.415 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)CCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001573288260 946862529 /nfs/dbraw/zinc/86/25/29/946862529.db2.gz JEPFDYPEEQEBGB-UHFFFAOYSA-N -1 3 378.396 0.415 20 30 GCEDHM C#CCOCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573288698 946877107 /nfs/dbraw/zinc/87/71/07/946877107.db2.gz XZSDRFGXHHOJPU-STQMWFEESA-N -1 3 385.428 0.059 20 30 GCEDHM C#CCOCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573288698 946877119 /nfs/dbraw/zinc/87/71/19/946877119.db2.gz XZSDRFGXHHOJPU-STQMWFEESA-N -1 3 385.428 0.059 20 30 GCEDHM C#Cc1ccc(C(=O)NCCN(CCC)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)nc1 ZINC001573289004 946883593 /nfs/dbraw/zinc/88/35/93/946883593.db2.gz WHZQHDKMGRORHF-UHFFFAOYSA-N -1 3 392.423 0.853 20 30 GCEDHM C#Cc1ccc(C(=O)NCCN(CCC)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)nc1 ZINC001573289004 946883600 /nfs/dbraw/zinc/88/36/00/946883600.db2.gz WHZQHDKMGRORHF-UHFFFAOYSA-N -1 3 392.423 0.853 20 30 GCEDHM C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001573291214 946915168 /nfs/dbraw/zinc/91/51/68/946915168.db2.gz AJERVQFXABLPNK-KBPBESRZSA-N -1 3 388.391 0.310 20 30 GCEDHM C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001573291214 946915184 /nfs/dbraw/zinc/91/51/84/946915184.db2.gz AJERVQFXABLPNK-KBPBESRZSA-N -1 3 388.391 0.310 20 30 GCEDHM C#Cc1cncc(C(=O)NC[C@H](C)N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001573292069 946928005 /nfs/dbraw/zinc/92/80/05/946928005.db2.gz NYTFFGXAHCTDEV-NSHDSACASA-N -1 3 378.396 0.462 20 30 GCEDHM C#Cc1cncc(C(=O)NC[C@H](C)N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001573292069 946928016 /nfs/dbraw/zinc/92/80/16/946928016.db2.gz NYTFFGXAHCTDEV-NSHDSACASA-N -1 3 378.396 0.462 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC(n2cc(CNCc3ccc(-c4nn[n-]n4)cc3)nn2)C1 ZINC001573561637 946964530 /nfs/dbraw/zinc/96/45/30/946964530.db2.gz LRKZNENIEQXJHA-GFCCVEGCSA-N -1 3 392.427 0.291 20 30 GCEDHM C=C(C)CN(CC)C(=O)CN(C)[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573294213 946980365 /nfs/dbraw/zinc/98/03/65/946980365.db2.gz YOJLFJNLODZNQX-CYBMUJFWSA-N -1 3 388.476 0.670 20 30 GCEDHM C=C(C)CN(CC)C(=O)CN(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573294214 946980637 /nfs/dbraw/zinc/98/06/37/946980637.db2.gz YOJLFJNLODZNQX-ZDUSSCGKSA-N -1 3 388.476 0.670 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1-c1nnn[n-]1)CCO2 ZINC001573563546 946982862 /nfs/dbraw/zinc/98/28/62/946982862.db2.gz AMENSVKZKZFCPI-XIKOKIGWSA-N -1 3 385.403 0.973 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1-c1nn[n-]n1)CCO2 ZINC001573563546 946982868 /nfs/dbraw/zinc/98/28/68/946982868.db2.gz AMENSVKZKZFCPI-XIKOKIGWSA-N -1 3 385.403 0.973 20 30 GCEDHM C=C(Cl)CN1CCO[C@]2(CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001573295066 947004531 /nfs/dbraw/zinc/00/45/31/947004531.db2.gz LPTXEYNFGOTXJP-MRXNPFEDSA-N -1 3 377.836 0.864 20 30 GCEDHM C=C(Cl)CN1CCO[C@]2(CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573295066 947004542 /nfs/dbraw/zinc/00/45/42/947004542.db2.gz LPTXEYNFGOTXJP-MRXNPFEDSA-N -1 3 377.836 0.864 20 30 GCEDHM C=C(Cl)CN1CCO[C@@]2(CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001573295064 947004682 /nfs/dbraw/zinc/00/46/82/947004682.db2.gz LPTXEYNFGOTXJP-INIZCTEOSA-N -1 3 377.836 0.864 20 30 GCEDHM C=C(Cl)CN1CCO[C@@]2(CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573295064 947004693 /nfs/dbraw/zinc/00/46/93/947004693.db2.gz LPTXEYNFGOTXJP-INIZCTEOSA-N -1 3 377.836 0.864 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC(C2(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CC1 ZINC001573565956 947019957 /nfs/dbraw/zinc/01/99/57/947019957.db2.gz XMYHFUYMFBJFKD-LLVKDONJSA-N -1 3 382.428 0.855 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC[C@]2(CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573566386 947023303 /nfs/dbraw/zinc/02/33/03/947023303.db2.gz CBOIXASVSMMDPK-XIKOKIGWSA-N -1 3 382.428 0.809 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573295817 947028102 /nfs/dbraw/zinc/02/81/02/947028102.db2.gz UOXNBRLFOUCMFU-KSMPYDNASA-N -1 3 397.439 0.363 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573295817 947028116 /nfs/dbraw/zinc/02/81/16/947028116.db2.gz UOXNBRLFOUCMFU-KSMPYDNASA-N -1 3 397.439 0.363 20 30 GCEDHM C=C(Cl)CN(CCO)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573296131 947041254 /nfs/dbraw/zinc/04/12/54/947041254.db2.gz ZNMRUJNBXKIWIO-CYBMUJFWSA-N -1 3 379.852 0.846 20 30 GCEDHM C=C(Cl)CN(CCO)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573296131 947041257 /nfs/dbraw/zinc/04/12/57/947041257.db2.gz ZNMRUJNBXKIWIO-CYBMUJFWSA-N -1 3 379.852 0.846 20 30 GCEDHM C=C1CC(C)(C(=O)NCCN(CCOC)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573296726 947053769 /nfs/dbraw/zinc/05/37/69/947053769.db2.gz YQYCXGGCWSRHOM-UHFFFAOYSA-N -1 3 387.444 0.756 20 30 GCEDHM C=C1CC(C)(C(=O)NCCN(CCOC)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573296726 947053780 /nfs/dbraw/zinc/05/37/80/947053780.db2.gz YQYCXGGCWSRHOM-UHFFFAOYSA-N -1 3 387.444 0.756 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC[C@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001573567930 947059758 /nfs/dbraw/zinc/05/97/58/947059758.db2.gz UYGOCTDWAFZCCS-SGTLLEGYSA-N -1 3 382.428 0.809 20 30 GCEDHM C=C(Cl)CNCc1cn(C2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001573297466 947063617 /nfs/dbraw/zinc/06/36/17/947063617.db2.gz IIZQPRSISRWCPE-UHFFFAOYSA-N -1 3 388.823 0.326 20 30 GCEDHM C=C(Cl)CNCc1cn(C2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001573297466 947063633 /nfs/dbraw/zinc/06/36/33/947063633.db2.gz IIZQPRSISRWCPE-UHFFFAOYSA-N -1 3 388.823 0.326 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)CC1 ZINC001573570777 947094806 /nfs/dbraw/zinc/09/48/06/947094806.db2.gz TXGSOARYLFGWJH-HIFRSBDPSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC001573570777 947094817 /nfs/dbraw/zinc/09/48/17/947094817.db2.gz TXGSOARYLFGWJH-HIFRSBDPSA-N -1 3 381.444 0.144 20 30 GCEDHM C=CC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573299579 947097833 /nfs/dbraw/zinc/09/78/33/947097833.db2.gz FTZOGGFQCJLHFD-LBPRGKRZSA-N -1 3 375.433 0.298 20 30 GCEDHM C=CC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573299579 947097846 /nfs/dbraw/zinc/09/78/46/947097846.db2.gz FTZOGGFQCJLHFD-LBPRGKRZSA-N -1 3 375.433 0.298 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCO[C@H](CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573571060 947099663 /nfs/dbraw/zinc/09/96/63/947099663.db2.gz YDRSWGNBOPCTCK-MWLCHTKSSA-N -1 3 376.808 0.714 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCO[C@H](CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573571060 947099676 /nfs/dbraw/zinc/09/96/76/947099676.db2.gz YDRSWGNBOPCTCK-MWLCHTKSSA-N -1 3 376.808 0.714 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573300018 947105067 /nfs/dbraw/zinc/10/50/67/947105067.db2.gz NGXIELCXCHOFPY-MLGOLLRUSA-N -1 3 386.460 0.991 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573300018 947105068 /nfs/dbraw/zinc/10/50/68/947105068.db2.gz NGXIELCXCHOFPY-MLGOLLRUSA-N -1 3 386.460 0.991 20 30 GCEDHM C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2O)C1 ZINC001573300283 947109422 /nfs/dbraw/zinc/10/94/22/947109422.db2.gz WJIGTICWPJJPPW-TZMCWYRMSA-N -1 3 385.428 0.243 20 30 GCEDHM C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2O)C1 ZINC001573300283 947109429 /nfs/dbraw/zinc/10/94/29/947109429.db2.gz WJIGTICWPJJPPW-TZMCWYRMSA-N -1 3 385.428 0.243 20 30 GCEDHM C=C(C)CCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573300435 947110564 /nfs/dbraw/zinc/11/05/64/947110564.db2.gz QDAJVUJDCJJEGD-DOMZBBRYSA-N -1 3 387.444 0.897 20 30 GCEDHM C=C(C)CCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573300435 947110575 /nfs/dbraw/zinc/11/05/75/947110575.db2.gz QDAJVUJDCJJEGD-DOMZBBRYSA-N -1 3 387.444 0.897 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573300381 947110703 /nfs/dbraw/zinc/11/07/03/947110703.db2.gz PDYRAKQYAUDEIE-HNNXBMFYSA-N -1 3 384.444 0.793 20 30 GCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573300381 947110710 /nfs/dbraw/zinc/11/07/10/947110710.db2.gz PDYRAKQYAUDEIE-HNNXBMFYSA-N -1 3 384.444 0.793 20 30 GCEDHM C[C@H](C#N)C(=O)NC1(C2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CC1 ZINC001573572752 947114385 /nfs/dbraw/zinc/11/43/85/947114385.db2.gz JZYDXKWNXUIFFP-LLVKDONJSA-N -1 3 382.428 0.855 20 30 GCEDHM C[C@H](C#N)C(=O)NC1(C2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CC1 ZINC001573572752 947114388 /nfs/dbraw/zinc/11/43/88/947114388.db2.gz JZYDXKWNXUIFFP-LLVKDONJSA-N -1 3 382.428 0.855 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573572693 947115461 /nfs/dbraw/zinc/11/54/61/947115461.db2.gz JIZFJJNAOJLBQK-IAQYHMDHSA-N -1 3 378.396 0.942 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573573111 947119631 /nfs/dbraw/zinc/11/96/31/947119631.db2.gz MPJJWPABMYUYOE-BDJLRTHQSA-N -1 3 375.458 0.531 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@]1(C)CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CCO1 ZINC001573575929 947145216 /nfs/dbraw/zinc/14/52/16/947145216.db2.gz BVQWRYLVXIDMKL-KPZWWZAWSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@]1(C)CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CCO1 ZINC001573575929 947145224 /nfs/dbraw/zinc/14/52/24/947145224.db2.gz BVQWRYLVXIDMKL-KPZWWZAWSA-N -1 3 387.419 0.873 20 30 GCEDHM C=CC(C)(C)CC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573305589 947156203 /nfs/dbraw/zinc/15/62/03/947156203.db2.gz SBEKMSANGQJAJP-ZDUSSCGKSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CC(C)(C)CC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573305589 947156209 /nfs/dbraw/zinc/15/62/09/947156209.db2.gz SBEKMSANGQJAJP-ZDUSSCGKSA-N -1 3 387.444 0.754 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@]1(C)CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC001573577615 947169963 /nfs/dbraw/zinc/16/99/63/947169963.db2.gz RQHGCDJEWYJOAF-KPZWWZAWSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@]1(C)CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC001573577615 947169970 /nfs/dbraw/zinc/16/99/70/947169970.db2.gz RQHGCDJEWYJOAF-KPZWWZAWSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@]1(C)CN(Cc2ccc(-c3nnn[n-]3)cc2F)CCO1 ZINC001573577758 947172774 /nfs/dbraw/zinc/17/27/74/947172774.db2.gz SNIRLPMIZKOXFT-KZULUSFZSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@]1(C)CN(Cc2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC001573577758 947172785 /nfs/dbraw/zinc/17/27/85/947172785.db2.gz SNIRLPMIZKOXFT-KZULUSFZSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@H]1COC2(CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001573577957 947177850 /nfs/dbraw/zinc/17/78/50/947177850.db2.gz WGTAKYQQKTXQND-YPMHNXCESA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@H]1COC2(CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC001573577957 947177856 /nfs/dbraw/zinc/17/78/56/947177856.db2.gz WGTAKYQQKTXQND-YPMHNXCESA-N -1 3 385.403 0.625 20 30 GCEDHM C=CC(C)(C)CC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573307344 947179923 /nfs/dbraw/zinc/17/99/23/947179923.db2.gz QZFLROUWCZZDGG-CYBMUJFWSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CC(C)(C)CC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573307344 947179934 /nfs/dbraw/zinc/17/99/34/947179934.db2.gz QZFLROUWCZZDGG-CYBMUJFWSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CC(C)(C)CC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573307349 947180632 /nfs/dbraw/zinc/18/06/32/947180632.db2.gz QZFLROUWCZZDGG-ZDUSSCGKSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CC(C)(C)CC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573307349 947180634 /nfs/dbraw/zinc/18/06/34/947180634.db2.gz QZFLROUWCZZDGG-ZDUSSCGKSA-N -1 3 387.444 0.754 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCC1(F)F ZINC001573582219 947189614 /nfs/dbraw/zinc/18/96/14/947189614.db2.gz CCZPJDZANZKKLT-GHMZBOCLSA-N -1 3 376.371 0.999 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCC1(F)F ZINC001573582219 947189617 /nfs/dbraw/zinc/18/96/17/947189617.db2.gz CCZPJDZANZKKLT-GHMZBOCLSA-N -1 3 376.371 0.999 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)NC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573309315 947196972 /nfs/dbraw/zinc/19/69/72/947196972.db2.gz GRXBQWTWNLLEOA-CXAGYDPISA-N -1 3 375.433 0.393 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)NC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573309315 947196975 /nfs/dbraw/zinc/19/69/75/947196975.db2.gz GRXBQWTWNLLEOA-CXAGYDPISA-N -1 3 375.433 0.393 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573309661 947205554 /nfs/dbraw/zinc/20/55/54/947205554.db2.gz MNDLZOBQLXCYDG-APPDUMDISA-N -1 3 375.408 0.988 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573309661 947205561 /nfs/dbraw/zinc/20/55/61/947205561.db2.gz MNDLZOBQLXCYDG-APPDUMDISA-N -1 3 375.408 0.988 20 30 GCEDHM C[C@@H](C#N)C(=O)NCCc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC001573583776 947209158 /nfs/dbraw/zinc/20/91/58/947209158.db2.gz ONYUCBCHBURDQA-LBPRGKRZSA-N -1 3 392.423 0.943 20 30 GCEDHM C[C@@H](C#N)C(=O)NCCc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC001573583776 947209167 /nfs/dbraw/zinc/20/91/67/947209167.db2.gz ONYUCBCHBURDQA-LBPRGKRZSA-N -1 3 392.423 0.943 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573309860 947210889 /nfs/dbraw/zinc/21/08/89/947210889.db2.gz PBQSHZQFEUFFGE-BDJLRTHQSA-N -1 3 377.836 0.937 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573309860 947210902 /nfs/dbraw/zinc/21/09/02/947210902.db2.gz PBQSHZQFEUFFGE-BDJLRTHQSA-N -1 3 377.836 0.937 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573310060 947215879 /nfs/dbraw/zinc/21/58/79/947215879.db2.gz RZONLSFUVZKKGR-ZWKOTPCHSA-N -1 3 387.444 0.354 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573310060 947215891 /nfs/dbraw/zinc/21/58/91/947215891.db2.gz RZONLSFUVZKKGR-ZWKOTPCHSA-N -1 3 387.444 0.354 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573310059 947216412 /nfs/dbraw/zinc/21/64/12/947216412.db2.gz RZONLSFUVZKKGR-ROUUACIJSA-N -1 3 387.444 0.354 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573310059 947216432 /nfs/dbraw/zinc/21/64/32/947216432.db2.gz RZONLSFUVZKKGR-ROUUACIJSA-N -1 3 387.444 0.354 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC[C@@H]2C1 ZINC001573310232 947219332 /nfs/dbraw/zinc/21/93/32/947219332.db2.gz VJYORDZSVZGTRX-UHYGZKCKSA-N -1 3 399.455 0.442 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC[C@@H]2C1 ZINC001573310232 947219342 /nfs/dbraw/zinc/21/93/42/947219342.db2.gz VJYORDZSVZGTRX-UHYGZKCKSA-N -1 3 399.455 0.442 20 30 GCEDHM C=C[C@](C)(CCOC)C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573310331 947221024 /nfs/dbraw/zinc/22/10/24/947221024.db2.gz WMVAVUNPGUEDOC-KPZWWZAWSA-N -1 3 387.444 0.754 20 30 GCEDHM C=C[C@](C)(CCOC)C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573310331 947221030 /nfs/dbraw/zinc/22/10/30/947221030.db2.gz WMVAVUNPGUEDOC-KPZWWZAWSA-N -1 3 387.444 0.754 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573584847 947234292 /nfs/dbraw/zinc/23/42/92/947234292.db2.gz GNZZAWOKMFWMKW-AMKSKSKJSA-N -1 3 390.407 0.866 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573584847 947234301 /nfs/dbraw/zinc/23/43/01/947234301.db2.gz GNZZAWOKMFWMKW-AMKSKSKJSA-N -1 3 390.407 0.866 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573584848 947236268 /nfs/dbraw/zinc/23/62/68/947236268.db2.gz GNZZAWOKMFWMKW-UHNFBRDESA-N -1 3 390.407 0.866 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573584848 947236276 /nfs/dbraw/zinc/23/62/76/947236276.db2.gz GNZZAWOKMFWMKW-UHNFBRDESA-N -1 3 390.407 0.866 20 30 GCEDHM C=C[C@H](CC)CC(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573314949 947239325 /nfs/dbraw/zinc/23/93/25/947239325.db2.gz IFZWVCWUGWVZMV-GFCCVEGCSA-N -1 3 387.444 0.490 20 30 GCEDHM C=C[C@H](CC)CC(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573314949 947239336 /nfs/dbraw/zinc/23/93/36/947239336.db2.gz IFZWVCWUGWVZMV-GFCCVEGCSA-N -1 3 387.444 0.490 20 30 GCEDHM C=C[C@@H](CC)CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573315960 947264403 /nfs/dbraw/zinc/26/44/03/947264403.db2.gz RENZWCPCLZGVMP-STQMWFEESA-N -1 3 389.460 0.688 20 30 GCEDHM C=C[C@@H](CC)CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573315960 947264411 /nfs/dbraw/zinc/26/44/11/947264411.db2.gz RENZWCPCLZGVMP-STQMWFEESA-N -1 3 389.460 0.688 20 30 GCEDHM C[C@H](C#N)C(=O)NCc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC001573586066 947276842 /nfs/dbraw/zinc/27/68/42/947276842.db2.gz YRGCHVHOVQYRIK-LLVKDONJSA-N -1 3 378.396 0.901 20 30 GCEDHM C[C@H](C#N)C(=O)NCc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC001573586066 947276851 /nfs/dbraw/zinc/27/68/51/947276851.db2.gz YRGCHVHOVQYRIK-LLVKDONJSA-N -1 3 378.396 0.901 20 30 GCEDHM C=CCC1(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCC1 ZINC001573326782 947377012 /nfs/dbraw/zinc/37/70/12/947377012.db2.gz VGEFSJABQHCNBK-CYBMUJFWSA-N -1 3 387.444 0.538 20 30 GCEDHM C=CCC1(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCC1 ZINC001573326782 947377023 /nfs/dbraw/zinc/37/70/23/947377023.db2.gz VGEFSJABQHCNBK-CYBMUJFWSA-N -1 3 387.444 0.538 20 30 GCEDHM C=CCCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(-c3nnn[n-]3)c1)O2 ZINC001573330141 947431524 /nfs/dbraw/zinc/43/15/24/947431524.db2.gz UWEFOSOMAKSWET-ZDUSSCGKSA-N -1 3 385.428 0.651 20 30 GCEDHM C=CCCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(-c3nn[n-]n3)c1)O2 ZINC001573330141 947431531 /nfs/dbraw/zinc/43/15/31/947431531.db2.gz UWEFOSOMAKSWET-ZDUSSCGKSA-N -1 3 385.428 0.651 20 30 GCEDHM C=CCCC1(C(=O)NC[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573334137 947446144 /nfs/dbraw/zinc/44/61/44/947446144.db2.gz KGSLGGVVNWCTPD-ZDUSSCGKSA-N -1 3 387.444 0.490 20 30 GCEDHM C=CCCC1(C(=O)NC[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573334137 947446150 /nfs/dbraw/zinc/44/61/50/947446150.db2.gz KGSLGGVVNWCTPD-ZDUSSCGKSA-N -1 3 387.444 0.490 20 30 GCEDHM C=CCCOCC(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573335571 947481784 /nfs/dbraw/zinc/48/17/84/947481784.db2.gz ASLFXEKTVDJYDO-QGZVFWFLSA-N -1 3 386.456 0.776 20 30 GCEDHM C=CCCOCC(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573335571 947481791 /nfs/dbraw/zinc/48/17/91/947481791.db2.gz ASLFXEKTVDJYDO-QGZVFWFLSA-N -1 3 386.456 0.776 20 30 GCEDHM C=CCCOCC(=O)N[C@@H]1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573335867 947493431 /nfs/dbraw/zinc/49/34/31/947493431.db2.gz FNLBKAOATABIFE-KGLIPLIRSA-N -1 3 387.444 0.945 20 30 GCEDHM C=CCCOCC(=O)N[C@@H]1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573335867 947493434 /nfs/dbraw/zinc/49/34/34/947493434.db2.gz FNLBKAOATABIFE-KGLIPLIRSA-N -1 3 387.444 0.945 20 30 GCEDHM C=CCCOCC(=O)N[C@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573335988 947494973 /nfs/dbraw/zinc/49/49/73/947494973.db2.gz GUJHUPYUAONQMH-JSGCOSHPSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCCOCC(=O)N[C@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573335988 947494982 /nfs/dbraw/zinc/49/49/82/947494982.db2.gz GUJHUPYUAONQMH-JSGCOSHPSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCCO[C@H](C)C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1 ZINC001573336606 947508475 /nfs/dbraw/zinc/50/84/75/947508475.db2.gz PQDUVPXCABQADE-GFCCVEGCSA-N -1 3 387.444 0.945 20 30 GCEDHM C=CCCO[C@H](C)C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1 ZINC001573336606 947508485 /nfs/dbraw/zinc/50/84/85/947508485.db2.gz PQDUVPXCABQADE-GFCCVEGCSA-N -1 3 387.444 0.945 20 30 GCEDHM C=CCCOCC(=O)NC[C@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573337050 947513437 /nfs/dbraw/zinc/51/34/37/947513437.db2.gz TULPPWKQJBLIJS-QGZVFWFLSA-N -1 3 391.407 0.051 20 30 GCEDHM C=CCCOCC(=O)NC[C@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573337050 947513447 /nfs/dbraw/zinc/51/34/47/947513447.db2.gz TULPPWKQJBLIJS-QGZVFWFLSA-N -1 3 391.407 0.051 20 30 GCEDHM C=CCCOCC(=O)NC[C@@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573337046 947514047 /nfs/dbraw/zinc/51/40/47/947514047.db2.gz TULPPWKQJBLIJS-KRWDZBQOSA-N -1 3 391.407 0.051 20 30 GCEDHM C=CCCOCC(=O)NC[C@@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573337046 947514053 /nfs/dbraw/zinc/51/40/53/947514053.db2.gz TULPPWKQJBLIJS-KRWDZBQOSA-N -1 3 391.407 0.051 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573337335 947515535 /nfs/dbraw/zinc/51/55/35/947515535.db2.gz WAUBYNCOTKRLAB-GXTWGEPZSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573337335 947515542 /nfs/dbraw/zinc/51/55/42/947515542.db2.gz WAUBYNCOTKRLAB-GXTWGEPZSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCO[C@H](C)C(=O)NC1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573337348 947516899 /nfs/dbraw/zinc/51/68/99/947516899.db2.gz WDQVMJXRDAMSGL-LMWSTFAQSA-N -1 3 387.444 0.895 20 30 GCEDHM C=CCCO[C@H](C)C(=O)NC1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573337348 947516911 /nfs/dbraw/zinc/51/69/11/947516911.db2.gz WDQVMJXRDAMSGL-LMWSTFAQSA-N -1 3 387.444 0.895 20 30 GCEDHM C=CCCn1cc(C(=O)N[C@@H](C)CNc2ccc(-c3nnn[n-]3)c(C)n2)nn1 ZINC001573341813 947535366 /nfs/dbraw/zinc/53/53/66/947535366.db2.gz QRGOJFHDAIWMLS-NSHDSACASA-N -1 3 382.432 0.968 20 30 GCEDHM C=CCCn1cc(C(=O)N[C@@H](C)CNc2ccc(-c3nn[n-]n3)c(C)n2)nn1 ZINC001573341813 947535374 /nfs/dbraw/zinc/53/53/74/947535374.db2.gz QRGOJFHDAIWMLS-NSHDSACASA-N -1 3 382.432 0.968 20 30 GCEDHM C=CCOCC(=O)N1CCCC[C@@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573343752 947561292 /nfs/dbraw/zinc/56/12/92/947561292.db2.gz RXSZYFYLZKMNQX-CQSZACIVSA-N -1 3 387.444 0.851 20 30 GCEDHM C=CCOCC(=O)N1CCCC[C@@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573343752 947561297 /nfs/dbraw/zinc/56/12/97/947561297.db2.gz RXSZYFYLZKMNQX-CQSZACIVSA-N -1 3 387.444 0.851 20 30 GCEDHM C=CCOCC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O ZINC001573344012 947566663 /nfs/dbraw/zinc/56/66/63/947566663.db2.gz WHQFNWVZRCOTMR-GXTWGEPZSA-N -1 3 376.392 0.264 20 30 GCEDHM C=CCOCC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O ZINC001573344012 947566669 /nfs/dbraw/zinc/56/66/69/947566669.db2.gz WHQFNWVZRCOTMR-GXTWGEPZSA-N -1 3 376.392 0.264 20 30 GCEDHM C=CCOCCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C ZINC001573347080 947571038 /nfs/dbraw/zinc/57/10/38/947571038.db2.gz AELZODXITQJAOY-OLZOCXBDSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCOCCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001573347080 947571044 /nfs/dbraw/zinc/57/10/44/947571044.db2.gz AELZODXITQJAOY-OLZOCXBDSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCn1cc(C(=O)N(C)C[C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)nn1 ZINC001573347906 947576510 /nfs/dbraw/zinc/57/65/10/947576510.db2.gz JHTNLSWCERDTKN-GFCCVEGCSA-N -1 3 382.432 0.920 20 30 GCEDHM C=CCn1cc(C(=O)N(C)C[C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)nn1 ZINC001573347906 947576529 /nfs/dbraw/zinc/57/65/29/947576529.db2.gz JHTNLSWCERDTKN-GFCCVEGCSA-N -1 3 382.432 0.920 20 30 GCEDHM COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC000826190347 947581561 /nfs/dbraw/zinc/58/15/61/947581561.db2.gz XZJQZQXNLBVNSB-UHFFFAOYSA-N -1 3 395.383 0.007 20 30 GCEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001573348394 947583234 /nfs/dbraw/zinc/58/32/34/947583234.db2.gz QDLYVTCLAQWIJK-INIZCTEOSA-N -1 3 393.455 0.832 20 30 GCEDHM C=CCOCCCC(=O)NC[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573348939 947588518 /nfs/dbraw/zinc/58/85/18/947588518.db2.gz WZXCOHAQGMTVTD-CYBMUJFWSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCOCCCC(=O)NC[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573348939 947588521 /nfs/dbraw/zinc/58/85/21/947588521.db2.gz WZXCOHAQGMTVTD-CYBMUJFWSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCOCCCC(=O)NC[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573348940 947589115 /nfs/dbraw/zinc/58/91/15/947589115.db2.gz WZXCOHAQGMTVTD-ZDUSSCGKSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCOCCCC(=O)NC[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573348940 947589124 /nfs/dbraw/zinc/58/91/24/947589124.db2.gz WZXCOHAQGMTVTD-ZDUSSCGKSA-N -1 3 387.444 0.898 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573350584 947598234 /nfs/dbraw/zinc/59/82/34/947598234.db2.gz GRHVRLWPVFJDEN-DFAGPEKBSA-N -1 3 385.428 0.411 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573350584 947598249 /nfs/dbraw/zinc/59/82/49/947598249.db2.gz GRHVRLWPVFJDEN-DFAGPEKBSA-N -1 3 385.428 0.411 20 30 GCEDHM C=CCn1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)[C@@H]2C)nn1 ZINC001573350604 947598606 /nfs/dbraw/zinc/59/86/06/947598606.db2.gz HGVJRRIBTDXNRQ-YPMHNXCESA-N -1 3 380.416 0.436 20 30 GCEDHM C=CCn1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)[C@@H]2C)nn1 ZINC001573350604 947598614 /nfs/dbraw/zinc/59/86/14/947598614.db2.gz HGVJRRIBTDXNRQ-YPMHNXCESA-N -1 3 380.416 0.436 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573350987 947605250 /nfs/dbraw/zinc/60/52/50/947605250.db2.gz MUDOQCZNOTWHKD-FMKPAKJESA-N -1 3 399.455 0.897 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573350987 947605257 /nfs/dbraw/zinc/60/52/57/947605257.db2.gz MUDOQCZNOTWHKD-FMKPAKJESA-N -1 3 399.455 0.897 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573350979 947606141 /nfs/dbraw/zinc/60/61/41/947606141.db2.gz MPRDGULKHUHTJC-YUELXQCFSA-N -1 3 387.444 0.657 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573350979 947606149 /nfs/dbraw/zinc/60/61/49/947606149.db2.gz MPRDGULKHUHTJC-YUELXQCFSA-N -1 3 387.444 0.657 20 30 GCEDHM C=CCn1cc(C(=O)NCCCN(C)c2ncc(-c3nnn[n-]3)cc2F)nn1 ZINC001573351249 947611077 /nfs/dbraw/zinc/61/10/77/947611077.db2.gz PAFBZGVOIQYRDZ-UHFFFAOYSA-N -1 3 386.395 0.435 20 30 GCEDHM C=CCn1cc(C(=O)NCCCN(C)c2ncc(-c3nn[n-]n3)cc2F)nn1 ZINC001573351249 947611086 /nfs/dbraw/zinc/61/10/86/947611086.db2.gz PAFBZGVOIQYRDZ-UHFFFAOYSA-N -1 3 386.395 0.435 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001573351713 947619944 /nfs/dbraw/zinc/61/99/44/947619944.db2.gz PFWIUZBZFLLCIB-PBOSXPJTSA-N -1 3 385.428 0.505 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001573351713 947619948 /nfs/dbraw/zinc/61/99/48/947619948.db2.gz PFWIUZBZFLLCIB-PBOSXPJTSA-N -1 3 385.428 0.505 20 30 GCEDHM C[C@@H](C(=O)N1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1)n1cnc(C#N)n1 ZINC001573623029 947684220 /nfs/dbraw/zinc/68/42/20/947684220.db2.gz CUYRCLJGSJBAHA-NSHDSACASA-N -1 3 378.400 0.692 20 30 GCEDHM C[C@@H](C(=O)N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1)n1cnc(C#N)n1 ZINC001573623029 947684232 /nfs/dbraw/zinc/68/42/32/947684232.db2.gz CUYRCLJGSJBAHA-NSHDSACASA-N -1 3 378.400 0.692 20 30 GCEDHM N#CC1(COC(=O)CC[C@@H]2NC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000826380016 948176433 /nfs/dbraw/zinc/17/64/33/948176433.db2.gz KGKFLWLDKVIEOF-ZDUSSCGKSA-N -1 3 395.379 0.919 20 30 GCEDHM N#CC1(COC(=O)CC[C@@H]2NC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000826380016 948176438 /nfs/dbraw/zinc/17/64/38/948176438.db2.gz KGKFLWLDKVIEOF-ZDUSSCGKSA-N -1 3 395.379 0.919 20 30 GCEDHM N#Cc1ccc([C@H](O)C(=O)OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826384572 948185736 /nfs/dbraw/zinc/18/57/36/948185736.db2.gz AVEWGXFRCLADDK-INIZCTEOSA-N -1 3 378.348 0.954 20 30 GCEDHM N#Cc1ccc([C@H](O)C(=O)OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826384572 948185741 /nfs/dbraw/zinc/18/57/41/948185741.db2.gz AVEWGXFRCLADDK-INIZCTEOSA-N -1 3 378.348 0.954 20 30 GCEDHM N#Cc1ncn(CC(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)n1 ZINC000826388163 948193855 /nfs/dbraw/zinc/19/38/55/948193855.db2.gz KRDXHXJJDKOFCA-UHFFFAOYSA-N -1 3 395.774 0.808 20 30 GCEDHM N#Cc1ncn(Cc2nnnn2-c2ccc(OC(F)F)cc2)c1-c1nnn[n-]1 ZINC000826388240 948194549 /nfs/dbraw/zinc/19/45/49/948194549.db2.gz OKTKMOJJFGBPDL-UHFFFAOYSA-N -1 3 385.298 0.560 20 30 GCEDHM N#Cc1ncn(Cc2nnc(C(=O)NCc3ccccc3)s2)c1-c1nnn[n-]1 ZINC000826388453 948196772 /nfs/dbraw/zinc/19/67/72/948196772.db2.gz ZTQSNNJVBAYEBT-UHFFFAOYSA-N -1 3 392.408 0.765 20 30 GCEDHM CC1(Nc2ccc(C#N)nn2)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575854088 949230107 /nfs/dbraw/zinc/23/01/07/949230107.db2.gz SAWFVYVTFQXVIL-UHFFFAOYSA-N -1 3 378.400 0.963 20 30 GCEDHM CC1(Nc2ccc(C#N)nn2)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575854088 949230135 /nfs/dbraw/zinc/23/01/35/949230135.db2.gz SAWFVYVTFQXVIL-UHFFFAOYSA-N -1 3 378.400 0.963 20 30 GCEDHM C[C@@](CNC(=O)CSCC#N)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574938419 949240795 /nfs/dbraw/zinc/24/07/95/949240795.db2.gz VMMBQYSJHOXPBI-INIZCTEOSA-N -1 3 388.457 0.466 20 30 GCEDHM C[C@@](CNC(=O)CSCC#N)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574938419 949240821 /nfs/dbraw/zinc/24/08/21/949240821.db2.gz VMMBQYSJHOXPBI-INIZCTEOSA-N -1 3 388.457 0.466 20 30 GCEDHM C[C@]1(C#N)CN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CCO1 ZINC001575523611 949300201 /nfs/dbraw/zinc/30/02/01/949300201.db2.gz DAVYSVDSTLJIIT-KRWDZBQOSA-N -1 3 379.384 0.389 20 30 GCEDHM C[C@]1(C#N)CN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CCO1 ZINC001575523611 949300221 /nfs/dbraw/zinc/30/02/21/949300221.db2.gz DAVYSVDSTLJIIT-KRWDZBQOSA-N -1 3 379.384 0.389 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575883923 949836810 /nfs/dbraw/zinc/83/68/10/949836810.db2.gz HKZRYDIPBNTOFA-RNCFNFMXSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575883923 949836826 /nfs/dbraw/zinc/83/68/26/949836826.db2.gz HKZRYDIPBNTOFA-RNCFNFMXSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575886962 949888346 /nfs/dbraw/zinc/88/83/46/949888346.db2.gz NFGRKFJJVGLVPI-TVQRCGJNSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575886962 949888368 /nfs/dbraw/zinc/88/83/68/949888368.db2.gz NFGRKFJJVGLVPI-TVQRCGJNSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575887262 949900741 /nfs/dbraw/zinc/90/07/41/949900741.db2.gz OBWQZWGBRDHJQN-CABZTGNLSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575887262 949900755 /nfs/dbraw/zinc/90/07/55/949900755.db2.gz OBWQZWGBRDHJQN-CABZTGNLSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575888329 949913969 /nfs/dbraw/zinc/91/39/69/949913969.db2.gz PNZGWEABMZMKJJ-JOYOIKCWSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575888329 949913995 /nfs/dbraw/zinc/91/39/95/949913995.db2.gz PNZGWEABMZMKJJ-JOYOIKCWSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575888326 949915288 /nfs/dbraw/zinc/91/52/88/949915288.db2.gz PNZGWEABMZMKJJ-BXKDBHETSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575888326 949915305 /nfs/dbraw/zinc/91/53/05/949915305.db2.gz PNZGWEABMZMKJJ-BXKDBHETSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575888330 949916709 /nfs/dbraw/zinc/91/67/09/949916709.db2.gz PNZGWEABMZMKJJ-SKDRFNHKSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575888330 949916726 /nfs/dbraw/zinc/91/67/26/949916726.db2.gz PNZGWEABMZMKJJ-SKDRFNHKSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1c1ccnc(C#N)n1 ZINC001575888966 949922239 /nfs/dbraw/zinc/92/22/39/949922239.db2.gz QTVXLWUNSRJLOB-PWSUYJOCSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1c1ccnc(C#N)n1 ZINC001575888966 949922254 /nfs/dbraw/zinc/92/22/54/949922254.db2.gz QTVXLWUNSRJLOB-PWSUYJOCSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1c1nccnc1C#N ZINC001575890177 949946566 /nfs/dbraw/zinc/94/65/66/949946566.db2.gz VWSYBKRKELKFCW-JQWIXIFHSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1c1nccnc1C#N ZINC001575890177 949946587 /nfs/dbraw/zinc/94/65/87/949946587.db2.gz VWSYBKRKELKFCW-JQWIXIFHSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1c1nccnc1C#N ZINC001575890179 949946705 /nfs/dbraw/zinc/94/67/05/949946705.db2.gz VWSYBKRKELKFCW-ZYHUDNBSSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1c1nccnc1C#N ZINC001575890179 949946724 /nfs/dbraw/zinc/94/67/24/949946724.db2.gz VWSYBKRKELKFCW-ZYHUDNBSSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575891153 949989346 /nfs/dbraw/zinc/98/93/46/949989346.db2.gz FSSYZHVRFNSGMT-GXSJLCMTSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575891153 949989370 /nfs/dbraw/zinc/98/93/70/949989370.db2.gz FSSYZHVRFNSGMT-GXSJLCMTSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574530760 950996009 /nfs/dbraw/zinc/99/60/09/950996009.db2.gz WRZFFNHFQIPNEE-VHSXEESVSA-N -1 3 381.400 0.721 20 30 GCEDHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574530760 950996015 /nfs/dbraw/zinc/99/60/15/950996015.db2.gz WRZFFNHFQIPNEE-VHSXEESVSA-N -1 3 381.400 0.721 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]3C2)c1 ZINC001571114559 952457395 /nfs/dbraw/zinc/45/73/95/952457395.db2.gz KVKFEXZHIVXCGC-BETUJISGSA-N -1 3 375.396 0.670 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]3C2)c1 ZINC001571114559 952457400 /nfs/dbraw/zinc/45/74/00/952457400.db2.gz KVKFEXZHIVXCGC-BETUJISGSA-N -1 3 375.396 0.670 20 30 GCEDHM Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)ccc1-c1nnn[n-]1 ZINC001571115671 952468868 /nfs/dbraw/zinc/46/88/68/952468868.db2.gz ZFRDVPIJQYGLRT-VIKVFOODSA-N -1 3 375.396 0.635 20 30 GCEDHM Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)ccc1-c1nn[n-]n1 ZINC001571115671 952468870 /nfs/dbraw/zinc/46/88/70/952468870.db2.gz ZFRDVPIJQYGLRT-VIKVFOODSA-N -1 3 375.396 0.635 20 30 GCEDHM CC1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1Nc1ccncc1C#N ZINC001571125053 952546723 /nfs/dbraw/zinc/54/67/23/952546723.db2.gz YZAJEVOFIYPBGA-HNNXBMFYSA-N -1 3 377.412 0.846 20 30 GCEDHM CC1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1Nc1ccncc1C#N ZINC001571125053 952546727 /nfs/dbraw/zinc/54/67/27/952546727.db2.gz YZAJEVOFIYPBGA-HNNXBMFYSA-N -1 3 377.412 0.846 20 30 GCEDHM Cc1cc(NC2CC(N(C)C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c(C#N)cn1 ZINC001571127081 952550574 /nfs/dbraw/zinc/55/05/74/952550574.db2.gz FLTDGQRFIHLBOJ-UHFFFAOYSA-N -1 3 377.412 0.907 20 30 GCEDHM Cc1cc(NC2CC(N(C)C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c(C#N)cn1 ZINC001571127081 952550575 /nfs/dbraw/zinc/55/05/75/952550575.db2.gz FLTDGQRFIHLBOJ-UHFFFAOYSA-N -1 3 377.412 0.907 20 30 GCEDHM N#Cc1cnccc1NC[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571128927 952572193 /nfs/dbraw/zinc/57/21/93/952572193.db2.gz YANPMUISBDRGLT-CYBMUJFWSA-N -1 3 377.412 0.990 20 30 GCEDHM N#Cc1cnccc1NC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571128927 952572194 /nfs/dbraw/zinc/57/21/94/952572194.db2.gz YANPMUISBDRGLT-CYBMUJFWSA-N -1 3 377.412 0.990 20 30 GCEDHM N#Cc1ccc(NC[C@H]2CCC[C@@H]2NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nn1 ZINC001571135673 952607125 /nfs/dbraw/zinc/60/71/25/952607125.db2.gz ATWSVZYYAAEFRY-MFKMUULPSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1ccc(NC[C@H]2CCC[C@@H]2NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nn1 ZINC001571135673 952607128 /nfs/dbraw/zinc/60/71/28/952607128.db2.gz ATWSVZYYAAEFRY-MFKMUULPSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@H]1C[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571135850 952609127 /nfs/dbraw/zinc/60/91/27/952609127.db2.gz GDWVMIPPLGTKJV-JQWIXIFHSA-N -1 3 378.400 0.962 20 30 GCEDHM C[C@H]1C[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571135850 952609130 /nfs/dbraw/zinc/60/91/30/952609130.db2.gz GDWVMIPPLGTKJV-JQWIXIFHSA-N -1 3 378.400 0.962 20 30 GCEDHM C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001571135816 952609189 /nfs/dbraw/zinc/60/91/89/952609189.db2.gz FHDCXEDZXZQPSB-CMPLNLGQSA-N -1 3 378.400 0.099 20 30 GCEDHM C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001571135816 952609191 /nfs/dbraw/zinc/60/91/91/952609191.db2.gz FHDCXEDZXZQPSB-CMPLNLGQSA-N -1 3 378.400 0.099 20 30 GCEDHM N#Cc1cncc(NC[C@H]2CCC[C@@H]2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001571135966 952610913 /nfs/dbraw/zinc/61/09/13/952610913.db2.gz JLVVPAHFVOVQRV-PWSUYJOCSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1cncc(NC[C@H]2CCC[C@@H]2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001571135966 952610916 /nfs/dbraw/zinc/61/09/16/952610916.db2.gz JLVVPAHFVOVQRV-PWSUYJOCSA-N -1 3 378.400 0.867 20 30 GCEDHM CCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCN(c2nccnc2C#N)C1 ZINC001571136024 952612083 /nfs/dbraw/zinc/61/20/83/952612083.db2.gz KWSYNNUQVKPHJR-LBPRGKRZSA-N -1 3 378.400 0.597 20 30 GCEDHM CCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCN(c2nccnc2C#N)C1 ZINC001571136024 952612086 /nfs/dbraw/zinc/61/20/86/952612086.db2.gz KWSYNNUQVKPHJR-LBPRGKRZSA-N -1 3 378.400 0.597 20 30 GCEDHM CC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN(c2ccnc(C#N)n2)CC1 ZINC001571136018 952612116 /nfs/dbraw/zinc/61/21/16/952612116.db2.gz KTHCVRHOXLQYHH-UHFFFAOYSA-N -1 3 378.400 0.645 20 30 GCEDHM CC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN(c2ccnc(C#N)n2)CC1 ZINC001571136018 952612120 /nfs/dbraw/zinc/61/21/20/952612120.db2.gz KTHCVRHOXLQYHH-UHFFFAOYSA-N -1 3 378.400 0.645 20 30 GCEDHM C[C@@]1(CNc2cncc(C#N)n2)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571136597 952615071 /nfs/dbraw/zinc/61/50/71/952615071.db2.gz SDYCGLSSUHOAEW-KRWDZBQOSA-N -1 3 378.400 0.821 20 30 GCEDHM C[C@@]1(CNc2cncc(C#N)n2)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571136597 952615075 /nfs/dbraw/zinc/61/50/75/952615075.db2.gz SDYCGLSSUHOAEW-KRWDZBQOSA-N -1 3 378.400 0.821 20 30 GCEDHM N#Cc1nccnc1NC[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571136624 952615172 /nfs/dbraw/zinc/61/51/72/952615172.db2.gz TUTGTEIXNASIJY-GHMZBOCLSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1nccnc1NC[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571136624 952615176 /nfs/dbraw/zinc/61/51/76/952615176.db2.gz TUTGTEIXNASIJY-GHMZBOCLSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1cncc(NC[C@@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001571136783 952615740 /nfs/dbraw/zinc/61/57/40/952615740.db2.gz VSZYMXAVYAPSIZ-ZDUSSCGKSA-N -1 3 378.400 0.963 20 30 GCEDHM N#Cc1cncc(NC[C@@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001571136783 952615742 /nfs/dbraw/zinc/61/57/42/952615742.db2.gz VSZYMXAVYAPSIZ-ZDUSSCGKSA-N -1 3 378.400 0.963 20 30 GCEDHM N#Cc1ccc(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)[nH]1 ZINC001571139595 952621363 /nfs/dbraw/zinc/62/13/63/952621363.db2.gz JKOKYJGOVHXPTQ-UHFFFAOYSA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1ccc(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)[nH]1 ZINC001571139595 952621365 /nfs/dbraw/zinc/62/13/65/952621365.db2.gz JKOKYJGOVHXPTQ-UHFFFAOYSA-N -1 3 379.384 0.333 20 30 GCEDHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001571139979 952622538 /nfs/dbraw/zinc/62/25/38/952622538.db2.gz MCJUEYLRRLWCOY-UHFFFAOYSA-N -1 3 379.384 0.428 20 30 GCEDHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001571139979 952622542 /nfs/dbraw/zinc/62/25/42/952622542.db2.gz MCJUEYLRRLWCOY-UHFFFAOYSA-N -1 3 379.384 0.428 20 30 GCEDHM CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571140902 952629711 /nfs/dbraw/zinc/62/97/11/952629711.db2.gz VEUCTMGMDNOXFW-LLVKDONJSA-N -1 3 379.384 0.381 20 30 GCEDHM CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571140902 952629714 /nfs/dbraw/zinc/62/97/14/952629714.db2.gz VEUCTMGMDNOXFW-LLVKDONJSA-N -1 3 379.384 0.381 20 30 GCEDHM C[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001571141253 952631641 /nfs/dbraw/zinc/63/16/41/952631641.db2.gz WXVCYLLFTOVYMC-ZANVPECISA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001571141253 952631649 /nfs/dbraw/zinc/63/16/49/952631649.db2.gz WXVCYLLFTOVYMC-ZANVPECISA-N -1 3 379.384 0.428 20 30 GCEDHM N#Cc1ccccc1OC[C@H](O)CN1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001594631522 956343236 /nfs/dbraw/zinc/34/32/36/956343236.db2.gz DWZWCOHIWNMRHU-DOTOQJQBSA-N -1 3 387.436 0.695 20 30 GCEDHM CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001573989660 961806778 /nfs/dbraw/zinc/80/67/78/961806778.db2.gz LOVRAKCTFOWSLL-QGZVFWFLSA-N -1 3 386.452 0.772 20 30 GCEDHM C=CCN1CCC(NC(=O)C(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)CC1 ZINC001588838780 984340925 /nfs/dbraw/zinc/34/09/25/984340925.db2.gz JLOCZWOPGHYZNM-UHFFFAOYSA-N -1 3 380.832 0.816 20 30 GCEDHM C=CCn1c(C2CCN(CCO)CC2)nnc1N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001588897834 984513427 /nfs/dbraw/zinc/51/34/27/984513427.db2.gz OSHLCBLLHYUBKH-HIFRSBDPSA-N -1 3 379.461 0.314 20 30 GCEDHM CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C(C)(C)C(=O)[O-])CC2)CC1 ZINC001590949110 991005099 /nfs/dbraw/zinc/00/50/99/991005099.db2.gz LIZJDQFGNKMHNG-MRXNPFEDSA-N -1 3 379.505 0.160 20 30 GCEDHM CN1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C(=O)[O-])C1 ZINC001598607725 993699787 /nfs/dbraw/zinc/69/97/87/993699787.db2.gz SWGFHPIPMYKYCL-IRXDYDNUSA-N -1 3 399.451 0.317 20 30 GCEDHM CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H](C(=O)[O-])C1 ZINC001598607724 993700289 /nfs/dbraw/zinc/70/02/89/993700289.db2.gz SWGFHPIPMYKYCL-IAGOWNOFSA-N -1 3 399.451 0.317 20 30 GCEDHM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N ZINC000571343724 530114659 /nfs/dbraw/zinc/11/46/59/530114659.db2.gz IUNIJSSSDRPUNU-NWDGAFQWSA-N -1 3 389.524 0.860 20 30 GCEDHM CS(=O)(=O)c1cc(S(=O)(=O)[N-]CCn2cnc(C#N)n2)c(Cl)s1 ZINC000285550089 530115884 /nfs/dbraw/zinc/11/58/84/530115884.db2.gz ISJKFXZFGMCLRV-UHFFFAOYSA-N -1 3 395.875 0.247 20 30 GCEDHM COC(=O)CCN1CC[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1=O ZINC000476533874 530125637 /nfs/dbraw/zinc/12/56/37/530125637.db2.gz LMRGINUSNHODOO-LBPRGKRZSA-N -1 3 385.829 0.654 20 30 GCEDHM COC(=O)C[C@@H](O)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000599461459 530164391 /nfs/dbraw/zinc/16/43/91/530164391.db2.gz HELOLBITUMUHAK-MRVPVSSYSA-N -1 3 377.216 0.523 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000298442415 530172199 /nfs/dbraw/zinc/17/21/99/530172199.db2.gz ZQVCQKDKQSWGCC-LLVKDONJSA-N -1 3 376.431 0.207 20 30 GCEDHM CN1CCN(C)[C@@H](C[N-]S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000287112462 530222568 /nfs/dbraw/zinc/22/25/68/530222568.db2.gz ZNOXBLRUEZCELM-NSHDSACASA-N -1 3 387.303 0.845 20 30 GCEDHM C[C@H]1CSC[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000521271920 530231816 /nfs/dbraw/zinc/23/18/16/530231816.db2.gz OWEFEBBXUJRZRY-WDEREUQCSA-N -1 3 375.497 0.518 20 30 GCEDHM N#CC1(CS(=O)(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000274206747 530294069 /nfs/dbraw/zinc/29/40/69/530294069.db2.gz JRPIQAFJYFLPIR-UHFFFAOYSA-N -1 3 383.904 0.903 20 30 GCEDHM CN1CCN(C)[C@H](CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000329371508 530286275 /nfs/dbraw/zinc/28/62/75/530286275.db2.gz MGEJUTFMUFXRBJ-SNVBAGLBSA-N -1 3 380.923 0.882 20 30 GCEDHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCCN1CCSCC1 ZINC000329453922 530287836 /nfs/dbraw/zinc/28/78/36/530287836.db2.gz PMXLSJIVBZFBCV-NSHDSACASA-N -1 3 376.504 0.964 20 30 GCEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC1(O)CCS(=O)(=O)CC1 ZINC000551574405 530253932 /nfs/dbraw/zinc/25/39/32/530253932.db2.gz URIVUIVTLRVKGY-UHFFFAOYSA-N -1 3 378.859 0.430 20 30 GCEDHM CN(C)CCNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C#N)s2)cn1 ZINC000435484571 530256051 /nfs/dbraw/zinc/25/60/51/530256051.db2.gz XDBOFJMWAVHMJL-UHFFFAOYSA-N -1 3 382.471 0.295 20 30 GCEDHM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)[C@H](C)O ZINC000287972750 530258215 /nfs/dbraw/zinc/25/82/15/530258215.db2.gz YCFRZTHAPFEPPR-WRWORJQWSA-N -1 3 377.216 0.521 20 30 GCEDHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCOC[C@@H]2C#N)cc1F ZINC000271203175 530268901 /nfs/dbraw/zinc/26/89/01/530268901.db2.gz JKMUAMPDTXNSRQ-JTQLQIEISA-N -1 3 377.419 0.500 20 30 GCEDHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@H](C#N)C2)cc1F ZINC000271181928 530269132 /nfs/dbraw/zinc/26/91/32/530269132.db2.gz CSNISKFFXZHQMF-SNVBAGLBSA-N -1 3 377.419 0.500 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCC1CC(O)C1 ZINC000569825204 530311660 /nfs/dbraw/zinc/31/16/60/530311660.db2.gz NNSXKCFNUHDOLZ-UHFFFAOYSA-N -1 3 387.483 0.270 20 30 GCEDHM CC(C)(O)CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000570292951 530317548 /nfs/dbraw/zinc/31/75/48/530317548.db2.gz FXBUCZQIDSBHKB-UHFFFAOYSA-N -1 3 387.483 0.460 20 30 GCEDHM CC#CC[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC ZINC000592110287 530413692 /nfs/dbraw/zinc/41/36/92/530413692.db2.gz BREQYMMEANRZJF-VIFPVBQESA-N -1 3 375.424 0.374 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000594634108 530435743 /nfs/dbraw/zinc/43/57/43/530435743.db2.gz IEBJJNVLJOHVJA-OLZOCXBDSA-N -1 3 387.483 0.580 20 30 GCEDHM CCC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(CC#N)CC#N)CC1 ZINC000594633840 530435753 /nfs/dbraw/zinc/43/57/53/530435753.db2.gz NBUVFPNBUAMACR-UHFFFAOYSA-N -1 3 382.467 0.945 20 30 GCEDHM C[C@@H](C[C@@H]1CCOC1)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000594633897 530435892 /nfs/dbraw/zinc/43/58/92/530435892.db2.gz VWXVXMPFLFHLBO-STQMWFEESA-N -1 3 387.483 0.582 20 30 GCEDHM CC[C@@](C)(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000594634670 530436119 /nfs/dbraw/zinc/43/61/19/530436119.db2.gz ZCIRSAUEIDSGJI-OAHLLOKOSA-N -1 3 389.499 0.706 20 30 GCEDHM CO[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000594634671 530436202 /nfs/dbraw/zinc/43/62/02/530436202.db2.gz ZGAIXPYJUULIMS-CHWSQXEVSA-N -1 3 387.483 0.582 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N)C1CCOCC1 ZINC000594635449 530436622 /nfs/dbraw/zinc/43/66/22/530436622.db2.gz ZCEAMRSNZQXEFA-GFCCVEGCSA-N -1 3 387.483 0.582 20 30 GCEDHM C[C@H](O)CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C#N ZINC000594633413 530434807 /nfs/dbraw/zinc/43/48/07/530434807.db2.gz JPXNHXBTULXKIB-RYUDHWBXSA-N -1 3 375.472 0.268 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1CCOC1 ZINC000594633314 530434988 /nfs/dbraw/zinc/43/49/88/530434988.db2.gz GJXNLHPPOLLUEN-QWHCGFSZSA-N -1 3 387.483 0.534 20 30 GCEDHM CC[C@@H](O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C#N ZINC000594633467 530435040 /nfs/dbraw/zinc/43/50/40/530435040.db2.gz NGLANBALHCYSOG-VXGBXAGGSA-N -1 3 375.472 0.268 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCC[C@@H]1CCO ZINC000594633707 530435366 /nfs/dbraw/zinc/43/53/66/530435366.db2.gz AUQNBECDQSEKLZ-OLZOCXBDSA-N -1 3 387.483 0.318 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCCC1CC(O)C1 ZINC000594633821 530435458 /nfs/dbraw/zinc/43/54/58/530435458.db2.gz LCOPGCCUKVUQTA-HIFPTAJRSA-N -1 3 387.483 0.316 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCOC1 ZINC000594633539 530435545 /nfs/dbraw/zinc/43/55/45/530435545.db2.gz QCWFYWFPJROFKP-OLZOCXBDSA-N -1 3 387.483 0.582 20 30 GCEDHM COCC1(NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CCCC1 ZINC000595956214 530450704 /nfs/dbraw/zinc/45/07/04/530450704.db2.gz HMIBDDIUMHKYLL-UHFFFAOYSA-N -1 3 387.483 0.726 20 30 GCEDHM C[C@@H](O)[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000595961558 530451204 /nfs/dbraw/zinc/45/12/04/530451204.db2.gz RXQPQWHLVDSOHU-NFAWXSAZSA-N -1 3 393.531 0.163 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@]12C[C@@H]1CCC2 ZINC000595968698 530451833 /nfs/dbraw/zinc/45/18/33/530451833.db2.gz IQUGCBULXYQSBB-AEGPPILISA-N -1 3 375.516 0.850 20 30 GCEDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCC2CCN(C(C)=O)CC2)s1 ZINC000330642427 530522512 /nfs/dbraw/zinc/52/25/12/530522512.db2.gz RFGMJCNLEYNYDZ-UHFFFAOYSA-N -1 3 388.515 0.918 20 30 GCEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCCO ZINC000563431364 530526072 /nfs/dbraw/zinc/52/60/72/530526072.db2.gz PPOFFLWNQHGONL-ZDUSSCGKSA-N -1 3 375.472 0.174 20 30 GCEDHM COCCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000566488392 530530978 /nfs/dbraw/zinc/53/09/78/530530978.db2.gz YXBZFQPNOMRWCI-HNNXBMFYSA-N -1 3 387.483 0.582 20 30 GCEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCCO1 ZINC000566690471 530533191 /nfs/dbraw/zinc/53/31/91/530533191.db2.gz SBGPJXDSKIXDFA-GFCCVEGCSA-N -1 3 387.483 0.724 20 30 GCEDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)CCO1 ZINC000566747728 530534183 /nfs/dbraw/zinc/53/41/83/530534183.db2.gz JCEOQCWUVVULEF-STQMWFEESA-N -1 3 387.483 0.676 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H](O)C(F)F ZINC000567916215 530550808 /nfs/dbraw/zinc/55/08/08/530550808.db2.gz MZXFWJSEYREMQI-VHSXEESVSA-N -1 3 397.425 0.123 20 30 GCEDHM CC[C@@H](CO)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000568108903 530553807 /nfs/dbraw/zinc/55/38/07/530553807.db2.gz QZCJVAZHWFFGRY-NSHDSACASA-N -1 3 375.472 0.316 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1O ZINC000568255981 530556568 /nfs/dbraw/zinc/55/65/68/530556568.db2.gz TYOMWZZDHZYVFG-YNEHKIRRSA-N -1 3 387.483 0.459 20 30 GCEDHM C[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N)[C@H]1CCOC1 ZINC000563731779 530557403 /nfs/dbraw/zinc/55/74/03/530557403.db2.gz NLDWPIQJARKOHF-STQMWFEESA-N -1 3 387.483 0.534 20 30 GCEDHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CC#N)CC#N ZINC000568412875 530559375 /nfs/dbraw/zinc/55/93/75/530559375.db2.gz MHIVJCNHSWXDKD-QWHCGFSZSA-N -1 3 382.467 0.659 20 30 GCEDHM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CC#N)CC#N ZINC000568412874 530559471 /nfs/dbraw/zinc/55/94/71/530559471.db2.gz MHIVJCNHSWXDKD-OLZOCXBDSA-N -1 3 382.467 0.659 20 30 GCEDHM C=CCOc1cccc(NC(=O)C[N-]S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000290203994 530564309 /nfs/dbraw/zinc/56/43/09/530564309.db2.gz ROZONMGLGNDSHT-CQSZACIVSA-N -1 3 388.467 0.296 20 30 GCEDHM C=CCNC(=O)C[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000186318306 530569689 /nfs/dbraw/zinc/56/96/89/530569689.db2.gz UVIRYOUUQCFSEU-UHFFFAOYSA-N -1 3 375.244 0.965 20 30 GCEDHM CO[C@@H](C)[C@@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000583575725 530582233 /nfs/dbraw/zinc/58/22/33/530582233.db2.gz QJKXFXFETVNYFA-NEPJUHHUSA-N -1 3 387.483 0.723 20 30 GCEDHM CC#CC[C@H](CO)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC ZINC000645884211 530551160 /nfs/dbraw/zinc/55/11/60/530551160.db2.gz YBLMEROPYZXKMA-CYBMUJFWSA-N -1 3 390.483 0.509 20 30 GCEDHM Cc1nc(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)sc1SCC#N ZINC000532296434 530603957 /nfs/dbraw/zinc/60/39/57/530603957.db2.gz YRWJVPVQSRJVLO-UHFFFAOYSA-N -1 3 386.484 0.718 20 30 GCEDHM CC#CC[C@@H](CO)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000645492272 530604423 /nfs/dbraw/zinc/60/44/23/530604423.db2.gz OPARIKMEQYMRCL-LBPRGKRZSA-N -1 3 375.397 0.317 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000580582371 530615644 /nfs/dbraw/zinc/61/56/44/530615644.db2.gz QKRVCEIUTSFAGG-AVGNSLFASA-N -1 3 387.483 0.723 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](C)C#N ZINC000576597929 530610148 /nfs/dbraw/zinc/61/01/48/530610148.db2.gz BMPHHVGVAZZAKH-OLZOCXBDSA-N -1 3 384.483 0.951 20 30 GCEDHM CC(C)(C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H](O)C(F)F ZINC000576768450 530612459 /nfs/dbraw/zinc/61/24/59/530612459.db2.gz SWLLOMNFAOMUAK-SECBINFHSA-N -1 3 397.425 0.171 20 30 GCEDHM CO[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-][C@@H](C)C#N)C1 ZINC000576887590 530613793 /nfs/dbraw/zinc/61/37/93/530613793.db2.gz KIPCWVXYIZBHSS-AVGNSLFASA-N -1 3 387.483 0.723 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC000574218621 530588300 /nfs/dbraw/zinc/58/83/00/530588300.db2.gz GMIFTQLQTQEILE-LEWSCRJBSA-N -1 3 387.483 0.315 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@](C)(F)C1 ZINC000349444363 530635498 /nfs/dbraw/zinc/63/54/98/530635498.db2.gz CVJISIBINRAVBV-SMDDNHRTSA-N -1 3 375.447 1.000 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](O)C[C@H]1C ZINC000349450730 530635925 /nfs/dbraw/zinc/63/59/25/530635925.db2.gz MIJUIRKLLBVJEJ-AGIUHOORSA-N -1 3 387.483 0.411 20 30 GCEDHM N#CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2C[C@@H](F)[C@@H](F)C2)CC1 ZINC000349455872 530637683 /nfs/dbraw/zinc/63/76/83/530637683.db2.gz RBVPDTAJJPRUAB-PHIMTYICSA-N -1 3 391.421 0.702 20 30 GCEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)C(C)(C)C1 ZINC000349458908 530639064 /nfs/dbraw/zinc/63/90/64/530639064.db2.gz GRYUMZZQMJXFBJ-OLZOCXBDSA-N -1 3 395.547 0.267 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000349466891 530642678 /nfs/dbraw/zinc/64/26/78/530642678.db2.gz RGSLRIUKRPDAGC-RBSFLKMASA-N -1 3 394.563 0.198 20 30 GCEDHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000329697349 530619625 /nfs/dbraw/zinc/61/96/25/530619625.db2.gz FDOREMKNXPHKSD-ZETCQYMHSA-N -1 3 380.220 0.245 20 30 GCEDHM CCOC1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C(C)(C)C#N)C1 ZINC000577530112 530621655 /nfs/dbraw/zinc/62/16/55/530621655.db2.gz BVXDBSKOEGJENX-UHFFFAOYSA-N -1 3 387.483 0.676 20 30 GCEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CC[C@H]1O ZINC000349472831 530645452 /nfs/dbraw/zinc/64/54/52/530645452.db2.gz RCCLRISKWUZFQK-JHJVBQTASA-N -1 3 387.483 0.459 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H]1CCOC1 ZINC000349474456 530646328 /nfs/dbraw/zinc/64/63/28/530646328.db2.gz VJMLHJQMYAHWPA-QWHCGFSZSA-N -1 3 387.483 0.676 20 30 GCEDHM N#CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCOCC2)CC1 ZINC000349476237 530646923 /nfs/dbraw/zinc/64/69/23/530646923.db2.gz ZRIQOFXFFKDPHX-UHFFFAOYSA-N -1 3 385.467 0.432 20 30 GCEDHM CC(C)(O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349477241 530647297 /nfs/dbraw/zinc/64/72/97/530647297.db2.gz DYRHIKDADHEQBM-AWEZNQCLSA-N -1 3 387.483 0.412 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@](C)(O)CC1 ZINC000349478798 530648035 /nfs/dbraw/zinc/64/80/35/530648035.db2.gz SPGFUAGJTMZNNP-GJZGRUSLSA-N -1 3 395.547 0.411 20 30 GCEDHM CC1(C#N)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccc2F)C1 ZINC000349478076 530648256 /nfs/dbraw/zinc/64/82/56/530648256.db2.gz RRCJVKQKOGDVQT-UHFFFAOYSA-N -1 3 376.435 0.528 20 30 GCEDHM CC[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CCCO1 ZINC000349483498 530651515 /nfs/dbraw/zinc/65/15/15/530651515.db2.gz VVLUGEPBRQZXHQ-ZDUSSCGKSA-N -1 3 387.483 0.678 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C ZINC000349496294 530657536 /nfs/dbraw/zinc/65/75/36/530657536.db2.gz GWFXWILEUPFIFT-OLZOCXBDSA-N -1 3 383.561 0.611 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@]1(C)CO ZINC000349496525 530657549 /nfs/dbraw/zinc/65/75/49/530657549.db2.gz PHMQORDMFVXZHN-CABCVRRESA-N -1 3 393.531 0.165 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@]1(C)CO ZINC000349496534 530657834 /nfs/dbraw/zinc/65/78/34/530657834.db2.gz PHMQORDMFVXZHN-LSDHHAIUSA-N -1 3 393.531 0.165 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000349500496 530659607 /nfs/dbraw/zinc/65/96/07/530659607.db2.gz DZWMXXCUWBLSJP-QLFBSQMISA-N -1 3 394.563 0.198 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCN(C)CC1(C)C ZINC000349501338 530660391 /nfs/dbraw/zinc/66/03/91/530660391.db2.gz MYWWQDJWXCILAO-AWEZNQCLSA-N -1 3 394.563 0.200 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCN(C)CC1(C)C ZINC000349501739 530660855 /nfs/dbraw/zinc/66/08/55/530660855.db2.gz MYWWQDJWXCILAO-CQSZACIVSA-N -1 3 394.563 0.200 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCS[C@H](C)[C@@H]1C ZINC000349514640 530667968 /nfs/dbraw/zinc/66/79/68/530667968.db2.gz VMZTYQPSGACRGO-MJBXVCDLSA-N -1 3 397.588 1.000 20 30 GCEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCOCC1 ZINC000349519521 530670605 /nfs/dbraw/zinc/67/06/05/530670605.db2.gz IHACWNUBMSKFJP-ZDUSSCGKSA-N -1 3 381.520 0.286 20 30 GCEDHM CN([C@@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000349518912 530670715 /nfs/dbraw/zinc/67/07/15/530670715.db2.gz HWZAAXLGZYHANU-TZMCWYRMSA-N -1 3 379.504 0.039 20 30 GCEDHM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-][C@@H](C#N)C(C)(C)C)CCCO1 ZINC000349527381 530673651 /nfs/dbraw/zinc/67/36/51/530673651.db2.gz VTSIPPFCAUTJHG-KBPBESRZSA-N -1 3 395.547 0.675 20 30 GCEDHM COC1(C)CN(S(=O)(=O)CCCS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)C1 ZINC000349530803 530674914 /nfs/dbraw/zinc/67/49/14/530674914.db2.gz ZELYREOKGJWCSS-CQSZACIVSA-N -1 3 379.504 0.039 20 30 GCEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)C1 ZINC000349531536 530675575 /nfs/dbraw/zinc/67/55/75/530675575.db2.gz KEBNNVCTAFTWHL-QLFBSQMISA-N -1 3 393.531 0.165 20 30 GCEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC(F)(F)C1 ZINC000349532660 530676141 /nfs/dbraw/zinc/67/61/41/530676141.db2.gz OSVSRDVWXJCKPA-LLVKDONJSA-N -1 3 387.474 0.905 20 30 GCEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC(F)(F)C1 ZINC000349532665 530676481 /nfs/dbraw/zinc/67/64/81/530676481.db2.gz OSVSRDVWXJCKPA-NSHDSACASA-N -1 3 387.474 0.905 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)NC1CC(C)(F)C1 ZINC000349537072 530679197 /nfs/dbraw/zinc/67/91/97/530679197.db2.gz DEMCBGYIGGXABY-UBHUBRDASA-N -1 3 381.495 0.798 20 30 GCEDHM C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)n[n-]c1=O ZINC000470822868 530696967 /nfs/dbraw/zinc/69/69/67/530696967.db2.gz SWBZRLBRAZEORT-VIFPVBQESA-N -1 3 383.455 0.936 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCS(=O)(=O)CC)ccc1F ZINC000068058597 530697632 /nfs/dbraw/zinc/69/76/32/530697632.db2.gz ZUSLALGIFCWLHJ-UHFFFAOYSA-N -1 3 378.447 0.455 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3csc(=O)[n-]3)CC2)cc1 ZINC000546723111 530698214 /nfs/dbraw/zinc/69/82/14/530698214.db2.gz GDOLSLABGSYYSK-UHFFFAOYSA-N -1 3 378.435 0.867 20 30 GCEDHM C[C@@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1ccc2c(n1)CCC2 ZINC000349575926 530701506 /nfs/dbraw/zinc/70/15/06/530701506.db2.gz QAWJBHIHLDQYBN-LBPRGKRZSA-N -1 3 386.499 0.781 20 30 GCEDHM C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)CS1 ZINC000349575734 530701618 /nfs/dbraw/zinc/70/16/18/530701618.db2.gz OQIXPOFESWRGRU-DYEKYZERSA-N -1 3 395.572 0.802 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCOCC1 ZINC000349575584 530701842 /nfs/dbraw/zinc/70/18/42/530701842.db2.gz OJGPGPSJIMBZSN-UKRRQHHQSA-N -1 3 393.531 0.477 20 30 GCEDHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)NCC1(C#N)CC1 ZINC000349585111 530705303 /nfs/dbraw/zinc/70/53/03/530705303.db2.gz YYLZOFBSXSQIFS-UHFFFAOYSA-N -1 3 375.476 0.382 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCCS(=O)(=O)N1CCCOC1 ZINC000349604834 530716484 /nfs/dbraw/zinc/71/64/84/530716484.db2.gz UEZMTNATRZHEOS-AWEZNQCLSA-N -1 3 379.504 0.388 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CC[C@H](O)CC1 ZINC000349625105 530724107 /nfs/dbraw/zinc/72/41/07/530724107.db2.gz ZCSGBFWPSDPVLI-UMVBOHGHSA-N -1 3 393.531 0.211 20 30 GCEDHM CC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N)[C@H](C)O ZINC000581834899 530763479 /nfs/dbraw/zinc/76/34/79/530763479.db2.gz DULYHWZPOMIOOA-SRVKXCTJSA-N -1 3 375.472 0.315 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(S(N)(=O)=O)ccc2F)c(F)c1 ZINC000610085246 530768110 /nfs/dbraw/zinc/76/81/10/530768110.db2.gz COMOVGSLNIXQOE-UHFFFAOYSA-N -1 3 387.389 0.962 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]Cc1nnc2n1CCOC2 ZINC000367805317 530830267 /nfs/dbraw/zinc/83/02/67/530830267.db2.gz MUAOQZYYWASKQK-UHFFFAOYSA-N -1 3 398.242 0.921 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C1(C(N)=O)CCOCC1 ZINC000367772662 530830390 /nfs/dbraw/zinc/83/03/90/530830390.db2.gz FVWHRJNBVSEPFQ-UHFFFAOYSA-N -1 3 388.243 0.634 20 30 GCEDHM CS(=O)(=O)NCCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000298833292 530815520 /nfs/dbraw/zinc/81/55/20/530815520.db2.gz ARIFRHGSXSJQMH-UHFFFAOYSA-N -1 3 385.389 0.795 20 30 GCEDHM CN(C)S(=O)(=O)c1ccccc1C[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000507561694 530817373 /nfs/dbraw/zinc/81/73/73/530817373.db2.gz SNISXTJADBBGFK-UHFFFAOYSA-N -1 3 380.451 0.682 20 30 GCEDHM N#Cc1ncn(CC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)n1 ZINC000554821374 530818691 /nfs/dbraw/zinc/81/86/91/530818691.db2.gz ITLGCYVVHYDYPD-UHFFFAOYSA-N -1 3 386.796 0.037 20 30 GCEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1)C(=O)OC ZINC000619506477 530818747 /nfs/dbraw/zinc/81/87/47/530818747.db2.gz LZGSNGTYFQIJLV-ZYHUDNBSSA-N -1 3 390.483 0.968 20 30 GCEDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCn2cnc(C#N)n2)cc1Cl ZINC000511378226 530819708 /nfs/dbraw/zinc/81/97/08/530819708.db2.gz AMZJJNDNCKNOBV-UHFFFAOYSA-N -1 3 386.796 0.879 20 30 GCEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CCN1C(=O)CCC1=O ZINC000416392243 530846563 /nfs/dbraw/zinc/84/65/63/530846563.db2.gz RVOKKDQDZPXWQS-UHFFFAOYSA-N -1 3 386.227 0.748 20 30 GCEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](O)[C@@H]1CCOC1 ZINC000416464600 530846627 /nfs/dbraw/zinc/84/66/27/530846627.db2.gz XKAZXPJVASOVDS-PWSUYJOCSA-N -1 3 375.244 0.996 20 30 GCEDHM N#Cc1ccc(Br)cc1S(=O)(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000416458301 530846868 /nfs/dbraw/zinc/84/68/68/530846868.db2.gz PTGLXRDTBBPPJM-JTQLQIEISA-N -1 3 399.226 0.245 20 30 GCEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H](O)Cn1ccnn1 ZINC000416547923 530847216 /nfs/dbraw/zinc/84/72/16/530847216.db2.gz MOCLAQKNTQLYGH-LLVKDONJSA-N -1 3 386.231 0.252 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@](C)(F)C1 ZINC000349458242 530874723 /nfs/dbraw/zinc/87/47/23/530874723.db2.gz GITHLBKPGWNNRF-KGLIPLIRSA-N -1 3 381.495 0.752 20 30 GCEDHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H](C#N)CC(C)C)s1 ZINC000610425523 530870600 /nfs/dbraw/zinc/87/06/00/530870600.db2.gz NEEAOTMXWHALQI-GFCCVEGCSA-N -1 3 386.499 0.717 20 30 GCEDHM C[C@@H]1SCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000349532973 530898863 /nfs/dbraw/zinc/89/88/63/530898863.db2.gz CIOUEMLCUUCEMW-OUCADQQQSA-N -1 3 395.572 0.802 20 30 GCEDHM N#CC[C@@H]1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)C1 ZINC000349537916 530900635 /nfs/dbraw/zinc/90/06/35/530900635.db2.gz RNSNKEHTVPPJMW-RYUDHWBXSA-N -1 3 375.476 0.543 20 30 GCEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@]23NC(=O)NC3=O)c1 ZINC000274908721 530905578 /nfs/dbraw/zinc/90/55/78/530905578.db2.gz WYMJDNDCOMJBLT-ZUZCIYMTSA-N -1 3 382.829 0.868 20 30 GCEDHM CSCC[C@](C)(C#N)NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000508125828 530910308 /nfs/dbraw/zinc/91/03/08/530910308.db2.gz BCDJIAQMYPKRGG-CQSZACIVSA-N -1 3 383.455 0.348 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC(C)(C)O ZINC000349477232 530875748 /nfs/dbraw/zinc/87/57/48/530875748.db2.gz DXCFBDDPDNDIQS-NSHDSACASA-N -1 3 375.472 0.268 20 30 GCEDHM C[C@@H](O)[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-][C@@H](C)C#N)C1 ZINC000349476668 530875785 /nfs/dbraw/zinc/87/57/85/530875785.db2.gz CQKCOONYZBXGNR-YNEHKIRRSA-N -1 3 387.483 0.268 20 30 GCEDHM C[C@@H](O)[C@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-][C@@H](C)C#N)C1 ZINC000349476667 530876010 /nfs/dbraw/zinc/87/60/10/530876010.db2.gz CQKCOONYZBXGNR-XQQFMLRXSA-N -1 3 387.483 0.268 20 30 GCEDHM CC(C)N(C1COC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000349479458 530876306 /nfs/dbraw/zinc/87/63/06/530876306.db2.gz JGTDPVZODCBRNS-LBPRGKRZSA-N -1 3 387.483 0.675 20 30 GCEDHM CN(CC(C)(C)CO)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349481432 530877071 /nfs/dbraw/zinc/87/70/71/530877071.db2.gz MSSUPJQMYRYKBU-UHFFFAOYSA-N -1 3 375.472 0.127 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(C#N)C1 ZINC000349481517 530877430 /nfs/dbraw/zinc/87/74/30/530877430.db2.gz NKTQNSNAAXKTNY-ZDUSSCGKSA-N -1 3 382.467 0.657 20 30 GCEDHM N#C[C@@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cncc(F)c2)C1 ZINC000349490188 530879148 /nfs/dbraw/zinc/87/91/48/530879148.db2.gz GLJAUMHDRHEUIS-ZDUSSCGKSA-N -1 3 394.425 0.620 20 30 GCEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@](F)(C#N)C1 ZINC000349498241 530882247 /nfs/dbraw/zinc/88/22/47/530882247.db2.gz NZCDWNZOOYXMJV-OCCSQVGLSA-N -1 3 394.494 0.502 20 30 GCEDHM CC(C)c1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)cn1 ZINC000349500829 530882943 /nfs/dbraw/zinc/88/29/43/530882943.db2.gz MEUPRCCLUVBHQV-UHFFFAOYSA-N -1 3 387.487 0.517 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@](F)(C#N)C1 ZINC000349502209 530882954 /nfs/dbraw/zinc/88/29/54/530882954.db2.gz RBKCSUONMABGHN-STQMWFEESA-N -1 3 380.467 0.111 20 30 GCEDHM C[C@H](O)[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)C1 ZINC000349501777 530882996 /nfs/dbraw/zinc/88/29/96/530882996.db2.gz NFCYIKHLDCRRIU-KCQAQPDRSA-N -1 3 393.531 0.021 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000349503718 530883758 /nfs/dbraw/zinc/88/37/58/530883758.db2.gz PSXLYPZKEJWFAE-QLFBSQMISA-N -1 3 377.532 0.906 20 30 GCEDHM C[C@H](CC#N)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1F ZINC000349515183 530887575 /nfs/dbraw/zinc/88/75/75/530887575.db2.gz AZQFGSLPUXWXCD-LLVKDONJSA-N -1 3 378.451 0.916 20 30 GCEDHM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]C2(C#N)CCCCC2)C[C@H]1O ZINC000349517978 530888040 /nfs/dbraw/zinc/88/80/40/530888040.db2.gz GITNLPVCDVFKTH-ZIAGYGMSSA-N -1 3 393.531 0.165 20 30 GCEDHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CC#N)cn1 ZINC000349521821 530888585 /nfs/dbraw/zinc/88/85/85/530888585.db2.gz LYHLPPSCGXRYCC-NSHDSACASA-N -1 3 375.476 0.481 20 30 GCEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](O)C1 ZINC000349466810 530890397 /nfs/dbraw/zinc/89/03/97/530890397.db2.gz GDTUBQPLYLZUFS-QWHCGFSZSA-N -1 3 387.483 0.412 20 30 GCEDHM CCS(=O)(=O)N(C)CCC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443095323 530890517 /nfs/dbraw/zinc/89/05/17/530890517.db2.gz FVMCARHONDTWDJ-UHFFFAOYSA-N -1 3 390.443 0.416 20 30 GCEDHM CS(=O)(=O)N1CCC([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 ZINC000443095235 530890705 /nfs/dbraw/zinc/89/07/05/530890705.db2.gz RDYAIHQGVMCOHZ-UHFFFAOYSA-N -1 3 388.427 0.169 20 30 GCEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(C)(C#N)C1 ZINC000349469546 530891238 /nfs/dbraw/zinc/89/12/38/530891238.db2.gz BEXSVTVSGBNKIW-LBPRGKRZSA-N -1 3 376.504 0.409 20 30 GCEDHM N#CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CC[C@@H](CO)C2)CC1 ZINC000349472376 530891747 /nfs/dbraw/zinc/89/17/47/530891747.db2.gz PRKMVYTYGMTAHW-GFCCVEGCSA-N -1 3 385.467 0.024 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](CO)C1 ZINC000349474754 530892422 /nfs/dbraw/zinc/89/24/22/530892422.db2.gz VUYAAJBEBDAZAR-OLZOCXBDSA-N -1 3 387.483 0.270 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)s1 ZINC000375619463 530897231 /nfs/dbraw/zinc/89/72/31/530897231.db2.gz RRGPBMQCGTWVEV-SNVBAGLBSA-N -1 3 375.497 0.855 20 30 GCEDHM N#CC1([N-]S(=O)(=O)CCCS(=O)(=O)NC2CCOCC2)CCCCC1 ZINC000349607990 530911410 /nfs/dbraw/zinc/91/14/10/530911410.db2.gz VVEKQSBTBOEPBS-UHFFFAOYSA-N -1 3 393.531 0.621 20 30 GCEDHM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]CC(=O)NCC#N)s1 ZINC000511015396 530931719 /nfs/dbraw/zinc/93/17/19/530931719.db2.gz SNQBCGKXBSLZNG-UHFFFAOYSA-N -1 3 386.499 0.371 20 30 GCEDHM COc1ccc(Br)c(CS(=O)(=O)[N-]CC(=O)NCC#N)c1 ZINC000511031620 530932274 /nfs/dbraw/zinc/93/22/74/530932274.db2.gz RFEGRUGXHMGUSB-UHFFFAOYSA-N -1 3 376.232 0.517 20 30 GCEDHM COC(=O)C1CCC([N-]S(=O)(=O)N(C)[C@@H](C)CC#N)(C(=O)OC)CC1 ZINC000509201001 530916513 /nfs/dbraw/zinc/91/65/13/530916513.db2.gz BKTKALYYLJVXIE-BZUNDVKYSA-N -1 3 375.447 0.330 20 30 GCEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]CCS(=O)(=O)NCC2CCC2)c1 ZINC000500964583 530928870 /nfs/dbraw/zinc/92/88/70/530928870.db2.gz LMOVNCJKNIQPMQ-UHFFFAOYSA-N -1 3 389.474 0.836 20 30 GCEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000611417687 530990067 /nfs/dbraw/zinc/99/00/67/530990067.db2.gz AESPQMCEPAJYIM-UKRRQHHQSA-N -1 3 388.442 0.712 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@]1(C)CCCO1 ZINC000572378772 530998909 /nfs/dbraw/zinc/99/89/09/530998909.db2.gz QPXYBXNKYMQERY-HNNXBMFYSA-N -1 3 387.483 0.678 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCSCC(=O)OC)ccc1F ZINC000264354467 531003435 /nfs/dbraw/zinc/00/34/35/531003435.db2.gz DPUYMBJSLWCJBG-UHFFFAOYSA-N -1 3 390.458 0.926 20 30 GCEDHM C=CCNC(=O)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCC)cc1 ZINC000537424186 531063634 /nfs/dbraw/zinc/06/36/34/531063634.db2.gz AZHQVKNCCSHMHL-UHFFFAOYSA-N -1 3 389.499 0.809 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000515500174 531090097 /nfs/dbraw/zinc/09/00/97/531090097.db2.gz UFZRTCMIWBHXJV-JHJVBQTASA-N -1 3 385.467 0.334 20 30 GCEDHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC(O)(CC#N)C2)cc1F ZINC000440087527 531168597 /nfs/dbraw/zinc/16/85/97/531168597.db2.gz CDLHONWIKWOYOC-UHFFFAOYSA-N -1 3 377.419 0.236 20 30 GCEDHM C=CCNC(=O)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000441090086 531179355 /nfs/dbraw/zinc/17/93/55/531179355.db2.gz LTAZVRRIFLEINP-UHFFFAOYSA-N -1 3 392.840 0.359 20 30 GCEDHM C[C@@]1(CO)CCC[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000565231559 531181920 /nfs/dbraw/zinc/18/19/20/531181920.db2.gz SMCLMQXSCVMWIL-CABCVRRESA-N -1 3 387.483 0.318 20 30 GCEDHM C[C@]1(CO)CCC[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000565231561 531182144 /nfs/dbraw/zinc/18/21/44/531182144.db2.gz SMCLMQXSCVMWIL-HUUCEWRRSA-N -1 3 387.483 0.318 20 30 GCEDHM Cc1ncc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)N[C@@H](C)C#N)cc2)o1 ZINC000566020665 531193089 /nfs/dbraw/zinc/19/30/89/531193089.db2.gz ZJZFYALTYBYMLK-JTQLQIEISA-N -1 3 384.439 0.652 20 30 GCEDHM N#CCCCS(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000443081471 531196621 /nfs/dbraw/zinc/19/66/21/531196621.db2.gz WXOGPODOPLSKHH-UHFFFAOYSA-N -1 3 383.854 0.981 20 30 GCEDHM C#CCSCCNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735387662 598849127 /nfs/dbraw/zinc/84/91/27/598849127.db2.gz DRQSFIKTFXJLEH-UHFFFAOYSA-N -1 3 379.467 0.264 20 30 GCEDHM C=CCNC(=O)CN1CCN([C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735431615 598858919 /nfs/dbraw/zinc/85/89/19/598858919.db2.gz FYEBVCOXZXJDQY-KRWDZBQOSA-N -1 3 399.455 0.001 20 30 GCEDHM C=CCNC(=O)CN1CCN([C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735431615 598858920 /nfs/dbraw/zinc/85/89/20/598858920.db2.gz FYEBVCOXZXJDQY-KRWDZBQOSA-N -1 3 399.455 0.001 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c(F)c1 ZINC000737722376 598869612 /nfs/dbraw/zinc/86/96/12/598869612.db2.gz IGJDWWBEVRPXID-UHFFFAOYSA-N -1 3 388.388 0.663 20 30 GCEDHM C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1=O ZINC000736215708 598916360 /nfs/dbraw/zinc/91/63/60/598916360.db2.gz ZYTRZTGYFBFUEG-QGZVFWFLSA-N -1 3 380.368 0.397 20 30 GCEDHM C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1=O ZINC000736215708 598916363 /nfs/dbraw/zinc/91/63/63/598916363.db2.gz ZYTRZTGYFBFUEG-QGZVFWFLSA-N -1 3 380.368 0.397 20 30 GCEDHM CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737167957 598918545 /nfs/dbraw/zinc/91/85/45/598918545.db2.gz XCPMFYXMVLPBLG-ZDUSSCGKSA-N -1 3 375.414 0.491 20 30 GCEDHM CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737167957 598918547 /nfs/dbraw/zinc/91/85/47/598918547.db2.gz XCPMFYXMVLPBLG-ZDUSSCGKSA-N -1 3 375.414 0.491 20 30 GCEDHM C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000735416000 598999734 /nfs/dbraw/zinc/99/97/34/598999734.db2.gz BMLHNTGJJJRLIW-ZDUSSCGKSA-N -1 3 397.482 0.539 20 30 GCEDHM C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000735416000 598999736 /nfs/dbraw/zinc/99/97/36/598999736.db2.gz BMLHNTGJJJRLIW-ZDUSSCGKSA-N -1 3 397.482 0.539 20 30 GCEDHM C[C@H](C(=O)N(C)CCC#N)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735515225 599024746 /nfs/dbraw/zinc/02/47/46/599024746.db2.gz ULPZXLKEZODPOA-OAHLLOKOSA-N -1 3 382.472 0.745 20 30 GCEDHM N#Cc1ccc([C@H](C(N)=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cc1 ZINC000737712268 599068615 /nfs/dbraw/zinc/06/86/15/599068615.db2.gz OZYCCYCDMSTREZ-QGZVFWFLSA-N -1 3 389.423 0.482 20 30 GCEDHM N#Cc1ccc([C@H](C(N)=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cc1 ZINC000737712268 599068617 /nfs/dbraw/zinc/06/86/17/599068617.db2.gz OZYCCYCDMSTREZ-QGZVFWFLSA-N -1 3 389.423 0.482 20 30 GCEDHM N#Cc1ccccc1OCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737728107 599111565 /nfs/dbraw/zinc/11/15/65/599111565.db2.gz XRIDKSLRSNAPLW-MRXNPFEDSA-N -1 3 378.348 0.887 20 30 GCEDHM N#Cc1ccccc1OCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737728107 599111566 /nfs/dbraw/zinc/11/15/66/599111566.db2.gz XRIDKSLRSNAPLW-MRXNPFEDSA-N -1 3 378.348 0.887 20 30 GCEDHM N#Cc1ccc([C@@H](OC(=O)COc2cccc(-c3nnn[n-]3)c2)C(N)=O)cc1 ZINC000737712578 599123208 /nfs/dbraw/zinc/12/32/08/599123208.db2.gz RKIRGJCFSIUGCN-MRXNPFEDSA-N -1 3 378.348 0.887 20 30 GCEDHM N#Cc1ccc([C@@H](OC(=O)COc2cccc(-c3nn[n-]n3)c2)C(N)=O)cc1 ZINC000737712578 599123210 /nfs/dbraw/zinc/12/32/10/599123210.db2.gz RKIRGJCFSIUGCN-MRXNPFEDSA-N -1 3 378.348 0.887 20 30 GCEDHM CCn1cc(C#N)c(=O)n(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1=O ZINC000736717810 599161592 /nfs/dbraw/zinc/16/15/92/599161592.db2.gz DZUPSSDCXGNBBQ-UHFFFAOYSA-N -1 3 391.351 0.180 20 30 GCEDHM CCn1cc(C#N)c(=O)n(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1=O ZINC000736717810 599161593 /nfs/dbraw/zinc/16/15/93/599161593.db2.gz DZUPSSDCXGNBBQ-UHFFFAOYSA-N -1 3 391.351 0.180 20 30 GCEDHM COC(=O)C1=C(C(C)=O)[C@@H](c2ccc(OC)c(-c3nnn[n-]3)c2)NC(=S)N1 ZINC000736908582 599236774 /nfs/dbraw/zinc/23/67/74/599236774.db2.gz MLISOCPSZZNJQR-GFCCVEGCSA-N -1 3 388.409 0.410 20 30 GCEDHM COC(=O)C1=C(C(C)=O)[C@@H](c2ccc(OC)c(-c3nn[n-]n3)c2)NC(=S)N1 ZINC000736908582 599236776 /nfs/dbraw/zinc/23/67/76/599236776.db2.gz MLISOCPSZZNJQR-GFCCVEGCSA-N -1 3 388.409 0.410 20 30 GCEDHM Cc1c(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cccc1-c1nnn[n-]1 ZINC000822054456 607273343 /nfs/dbraw/zinc/27/33/43/607273343.db2.gz ZNNROUIBNANWOE-UHFFFAOYSA-N -1 3 391.395 0.609 20 30 GCEDHM Cc1c(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cccc1-c1nn[n-]n1 ZINC000822054456 607273344 /nfs/dbraw/zinc/27/33/44/607273344.db2.gz ZNNROUIBNANWOE-UHFFFAOYSA-N -1 3 391.395 0.609 20 30 GCEDHM C#CCN1CCN(C(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000819701870 607300306 /nfs/dbraw/zinc/30/03/06/607300306.db2.gz OQAALMMFWXSCDH-UHFFFAOYSA-N -1 3 381.440 0.753 20 30 GCEDHM C#CCN1CCN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000819701870 607300307 /nfs/dbraw/zinc/30/03/07/607300307.db2.gz OQAALMMFWXSCDH-UHFFFAOYSA-N -1 3 381.440 0.753 20 30 GCEDHM N#CCCN(CCC#N)CN1CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000737687256 598335157 /nfs/dbraw/zinc/33/51/57/598335157.db2.gz PQKKMUPRSLPNSG-UHFFFAOYSA-N -1 3 393.411 0.718 20 30 GCEDHM N#CCCN(CCC#N)CN1CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000737687256 598335159 /nfs/dbraw/zinc/33/51/59/598335159.db2.gz PQKKMUPRSLPNSG-UHFFFAOYSA-N -1 3 393.411 0.718 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000735381777 598408069 /nfs/dbraw/zinc/40/80/69/598408069.db2.gz QVANUWUEJIHXLB-AWEZNQCLSA-N -1 3 396.455 0.478 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000735381777 598408071 /nfs/dbraw/zinc/40/80/71/598408071.db2.gz QVANUWUEJIHXLB-AWEZNQCLSA-N -1 3 396.455 0.478 20 30 GCEDHM C=CCN(CC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000735415965 598538372 /nfs/dbraw/zinc/53/83/72/598538372.db2.gz BJQOHGMVTUQLBH-AWEZNQCLSA-N -1 3 376.442 0.480 20 30 GCEDHM C=CCN(CC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000735415965 598538374 /nfs/dbraw/zinc/53/83/74/598538374.db2.gz BJQOHGMVTUQLBH-AWEZNQCLSA-N -1 3 376.442 0.480 20 30 GCEDHM C=CCN(CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000735416189 598538392 /nfs/dbraw/zinc/53/83/92/598538392.db2.gz DVCBXUAHUXIDOF-HNNXBMFYSA-N -1 3 390.469 0.158 20 30 GCEDHM C=CCN(CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000735416189 598538395 /nfs/dbraw/zinc/53/83/95/598538395.db2.gz DVCBXUAHUXIDOF-HNNXBMFYSA-N -1 3 390.469 0.158 20 30 GCEDHM N#Cc1cc(NC(=O)C(=O)NCCNc2ncccc2-c2nnn[n-]2)ccc1F ZINC000737706699 598640545 /nfs/dbraw/zinc/64/05/45/598640545.db2.gz YBRSZOPRWHRBIF-UHFFFAOYSA-N -1 3 395.358 0.439 20 30 GCEDHM N#Cc1cc(NC(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)ccc1F ZINC000737706699 598640546 /nfs/dbraw/zinc/64/05/46/598640546.db2.gz YBRSZOPRWHRBIF-UHFFFAOYSA-N -1 3 395.358 0.439 20 30 GCEDHM CC[C@@H](CNC(=O)c1ccc(C#N)cn1)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736349392 598687647 /nfs/dbraw/zinc/68/76/47/598687647.db2.gz GIRJNIBICWEOIW-ZDUSSCGKSA-N -1 3 391.395 0.467 20 30 GCEDHM CC[C@@H](CNC(=O)c1ccc(C#N)cn1)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736349392 598687649 /nfs/dbraw/zinc/68/76/49/598687649.db2.gz GIRJNIBICWEOIW-ZDUSSCGKSA-N -1 3 391.395 0.467 20 30 GCEDHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(C#N)cn1 ZINC000736020107 598692690 /nfs/dbraw/zinc/69/26/90/598692690.db2.gz MLYBVXRZFBBNOA-NSHDSACASA-N -1 3 391.395 0.419 20 30 GCEDHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(C#N)cn1 ZINC000736020107 598692691 /nfs/dbraw/zinc/69/26/91/598692691.db2.gz MLYBVXRZFBBNOA-NSHDSACASA-N -1 3 391.395 0.419 20 30 GCEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCNC(=O)C1N=CC=CC1=O ZINC000737797086 598697626 /nfs/dbraw/zinc/69/76/26/598697626.db2.gz DJNZZGIFUQEERR-TYGVAENRSA-N -1 3 379.380 0.523 20 30 GCEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCNC(=O)C1N=CC=CC1=O ZINC000737797080 598698008 /nfs/dbraw/zinc/69/80/08/598698008.db2.gz DJNZZGIFUQEERR-CESQMKTESA-N -1 3 379.380 0.523 20 30 GCEDHM CC(C)[C@@H](C#N)N1CCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735690754 598700878 /nfs/dbraw/zinc/70/08/78/598700878.db2.gz MPGCNBGGAZUXNH-QGZVFWFLSA-N -1 3 382.472 0.649 20 30 GCEDHM CC(C)[C@@H](C#N)N1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735690754 598700880 /nfs/dbraw/zinc/70/08/80/598700880.db2.gz MPGCNBGGAZUXNH-QGZVFWFLSA-N -1 3 382.472 0.649 20 30 GCEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000737293585 598730050 /nfs/dbraw/zinc/73/00/50/598730050.db2.gz FVHWVCBWFAFMHK-JQIJEIRASA-N -1 3 382.384 0.823 20 30 GCEDHM C=CCNC(=O)c1ccc(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)nc1 ZINC000735432765 598784654 /nfs/dbraw/zinc/78/46/54/598784654.db2.gz VJOIVSUFPRVSID-UHFFFAOYSA-N -1 3 391.439 0.899 20 30 GCEDHM C=CCNC(=O)c1ccc(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)nc1 ZINC000735432765 598784655 /nfs/dbraw/zinc/78/46/55/598784655.db2.gz VJOIVSUFPRVSID-UHFFFAOYSA-N -1 3 391.439 0.899 20 30 GCEDHM C#CCN(C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000735374958 598818140 /nfs/dbraw/zinc/81/81/40/598818140.db2.gz PRCFAGHYIPOYFF-CHWSQXEVSA-N -1 3 389.437 0.283 20 30 GCEDHM C#CCN(C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000735374958 598818142 /nfs/dbraw/zinc/81/81/42/598818142.db2.gz PRCFAGHYIPOYFF-CHWSQXEVSA-N -1 3 389.437 0.283 20 30 GCEDHM N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000822806200 599358336 /nfs/dbraw/zinc/35/83/36/599358336.db2.gz KOKRCTCDUHAFJW-SECBINFHSA-N -1 3 388.331 0.799 20 30 GCEDHM N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000822806200 599358340 /nfs/dbraw/zinc/35/83/40/599358340.db2.gz KOKRCTCDUHAFJW-SECBINFHSA-N -1 3 388.331 0.799 20 30 GCEDHM C#CCNC(=O)C1CCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000819701652 599459692 /nfs/dbraw/zinc/45/96/92/599459692.db2.gz KPJQWJJOLMXPGK-UHFFFAOYSA-N -1 3 385.403 0.677 20 30 GCEDHM C#CCNC(=O)C1CCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000819701652 599459693 /nfs/dbraw/zinc/45/96/93/599459693.db2.gz KPJQWJJOLMXPGK-UHFFFAOYSA-N -1 3 385.403 0.677 20 30 GCEDHM COC(=O)CN(CC#N)C(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000736918613 599570001 /nfs/dbraw/zinc/57/00/01/599570001.db2.gz GWVRGLWYPMBJLG-UHFFFAOYSA-N -1 3 389.441 0.804 20 30 GCEDHM COC(=O)CN(CC#N)C(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000736918613 599570002 /nfs/dbraw/zinc/57/00/02/599570002.db2.gz GWVRGLWYPMBJLG-UHFFFAOYSA-N -1 3 389.441 0.804 20 30 GCEDHM N#CCCN(CCN1CCOCC1)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000822810976 607388359 /nfs/dbraw/zinc/38/83/59/607388359.db2.gz QBPYBHBSELMHOF-UHFFFAOYSA-N -1 3 381.444 0.562 20 30 GCEDHM N#CCCN(CCN1CCOCC1)Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000822810976 607388361 /nfs/dbraw/zinc/38/83/61/607388361.db2.gz QBPYBHBSELMHOF-UHFFFAOYSA-N -1 3 381.444 0.562 20 30 GCEDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000821742089 607418190 /nfs/dbraw/zinc/41/81/90/607418190.db2.gz ZHWWIXLVAJHPLD-FBMGVBCBSA-N -1 3 398.379 0.835 20 30 GCEDHM C=CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000823903707 607464358 /nfs/dbraw/zinc/46/43/58/607464358.db2.gz HZMKKEILCGMKNK-LBPRGKRZSA-N -1 3 394.457 0.690 20 30 GCEDHM C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)[C@@H](C)CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826232480 607561511 /nfs/dbraw/zinc/56/15/11/607561511.db2.gz ONYCWKNZXPHNAO-WDEREUQCSA-N -1 3 393.411 0.770 20 30 GCEDHM C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)[C@@H](C)CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826232480 607561512 /nfs/dbraw/zinc/56/15/12/607561512.db2.gz ONYCWKNZXPHNAO-WDEREUQCSA-N -1 3 393.411 0.770 20 30 GCEDHM COC(=O)[C@@H]1CCN(C[C@H](O)COc2ccc(CC#N)cc2)[C@H](C(=O)[O-])C1 ZINC000833709164 605692603 /nfs/dbraw/zinc/69/26/03/605692603.db2.gz RBZCTFAATBFUAT-VYDXJSESSA-N -1 3 376.409 0.831 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822968887 606021844 /nfs/dbraw/zinc/02/18/44/606021844.db2.gz DKWPNFPSOYMTIW-ICFOKQHNSA-N -1 3 385.359 0.539 20 30 GCEDHM S=C(NCCCN1CCOCC1)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823732946 606205331 /nfs/dbraw/zinc/20/53/31/606205331.db2.gz QJJDIVFURNUAOM-UHFFFAOYSA-N -1 3 380.503 0.449 20 30 GCEDHM S=C(NCCCN1CCOCC1)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823732946 606205332 /nfs/dbraw/zinc/20/53/32/606205332.db2.gz QJJDIVFURNUAOM-UHFFFAOYSA-N -1 3 380.503 0.449 20 30 GCEDHM CC[C@H](CNC(=O)c1cc(C#N)cn1C)NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820908944 606285723 /nfs/dbraw/zinc/28/57/23/606285723.db2.gz SARAOMOKGVLCAT-CYBMUJFWSA-N -1 3 395.427 0.354 20 30 GCEDHM CC[C@H](CNC(=O)c1cc(C#N)cn1C)NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820908944 606285724 /nfs/dbraw/zinc/28/57/24/606285724.db2.gz SARAOMOKGVLCAT-CYBMUJFWSA-N -1 3 395.427 0.354 20 30 GCEDHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)cn1C)N(C)C(=O)c1cc(C#N)cn1C ZINC000820269334 606288069 /nfs/dbraw/zinc/28/80/69/606288069.db2.gz KCNUKKKQYGBUEL-NSHDSACASA-N -1 3 395.427 0.306 20 30 GCEDHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)cn1C)N(C)C(=O)c1cc(C#N)cn1C ZINC000820269334 606288071 /nfs/dbraw/zinc/28/80/71/606288071.db2.gz KCNUKKKQYGBUEL-NSHDSACASA-N -1 3 395.427 0.306 20 30 GCEDHM C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000820744547 606298690 /nfs/dbraw/zinc/29/86/90/606298690.db2.gz YPWJIAPQSMHNFU-SNVBAGLBSA-N -1 3 379.384 0.381 20 30 GCEDHM C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000820744547 606298692 /nfs/dbraw/zinc/29/86/92/606298692.db2.gz YPWJIAPQSMHNFU-SNVBAGLBSA-N -1 3 379.384 0.381 20 30 GCEDHM Cc1nn(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(=O)c(C#N)c1C ZINC000822501085 606307841 /nfs/dbraw/zinc/30/78/41/606307841.db2.gz UZGBVZGLTKALHW-UHFFFAOYSA-N -1 3 385.409 0.386 20 30 GCEDHM Cc1nn(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(=O)c(C#N)c1C ZINC000822501085 606307843 /nfs/dbraw/zinc/30/78/43/606307843.db2.gz UZGBVZGLTKALHW-UHFFFAOYSA-N -1 3 385.409 0.386 20 30 GCEDHM C=CCNC(=O)CN1CCN([C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819750972 606312965 /nfs/dbraw/zinc/31/29/65/606312965.db2.gz LCUPXXLZOHDHTP-KRWDZBQOSA-N -1 3 399.455 0.001 20 30 GCEDHM C=CCNC(=O)CN1CCN([C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819750972 606312967 /nfs/dbraw/zinc/31/29/67/606312967.db2.gz LCUPXXLZOHDHTP-KRWDZBQOSA-N -1 3 399.455 0.001 20 30 GCEDHM CC(C)[C@](C)(CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820017182 606321000 /nfs/dbraw/zinc/32/10/00/606321000.db2.gz UGUXULGZZASWGN-SFHVURJKSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)[C@](C)(CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820017182 606321002 /nfs/dbraw/zinc/32/10/02/606321002.db2.gz UGUXULGZZASWGN-SFHVURJKSA-N -1 3 395.427 0.969 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000822819518 606363604 /nfs/dbraw/zinc/36/36/04/606363604.db2.gz UBUAYRWCJHUTRP-DGCLKSJQSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822819518 606363606 /nfs/dbraw/zinc/36/36/06/606363606.db2.gz UBUAYRWCJHUTRP-DGCLKSJQSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1cc(F)ccc1NC(=O)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000822822865 606398329 /nfs/dbraw/zinc/39/83/29/606398329.db2.gz FWAVBGAZRUIXNA-UHFFFAOYSA-N -1 3 395.358 0.439 20 30 GCEDHM N#Cc1cc(F)ccc1NC(=O)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000822822865 606398330 /nfs/dbraw/zinc/39/83/30/606398330.db2.gz FWAVBGAZRUIXNA-UHFFFAOYSA-N -1 3 395.358 0.439 20 30 GCEDHM CC[C@@H](C#N)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820843428 606614239 /nfs/dbraw/zinc/61/42/39/606614239.db2.gz YWJLEEQVCMAPRE-STQMWFEESA-N -1 3 383.368 0.917 20 30 GCEDHM CC[C@@H](C#N)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820843428 606614241 /nfs/dbraw/zinc/61/42/41/606614241.db2.gz YWJLEEQVCMAPRE-STQMWFEESA-N -1 3 383.368 0.917 20 30 GCEDHM O=C(C#Cc1ccc2c(c1)OCO2)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000822912432 606790502 /nfs/dbraw/zinc/79/05/02/606790502.db2.gz ZZBLLTQNKAYEAS-UHFFFAOYSA-N -1 3 377.364 0.570 20 30 GCEDHM O=C(C#Cc1ccc2c(c1)OCO2)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000822912432 606790504 /nfs/dbraw/zinc/79/05/04/606790504.db2.gz ZZBLLTQNKAYEAS-UHFFFAOYSA-N -1 3 377.364 0.570 20 30 GCEDHM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820803886 606823797 /nfs/dbraw/zinc/82/37/97/606823797.db2.gz JENCEQWZCWAPLJ-ZDUSSCGKSA-N -1 3 389.423 0.808 20 30 GCEDHM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820803886 606823799 /nfs/dbraw/zinc/82/37/99/606823799.db2.gz JENCEQWZCWAPLJ-ZDUSSCGKSA-N -1 3 389.423 0.808 20 30 GCEDHM C=CCN(CC=C)C(=O)CN1C(=O)N[C@](C)(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000819740130 606907167 /nfs/dbraw/zinc/90/71/67/606907167.db2.gz QKZCERYEDBAJRI-LJQANCHMSA-N -1 3 395.423 0.834 20 30 GCEDHM C=CCN(CC=C)C(=O)CN1C(=O)N[C@](C)(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000819740130 606907169 /nfs/dbraw/zinc/90/71/69/606907169.db2.gz QKZCERYEDBAJRI-LJQANCHMSA-N -1 3 395.423 0.834 20 30 GCEDHM C#CCN(CCCOc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000819701749 606924195 /nfs/dbraw/zinc/92/41/95/606924195.db2.gz LYAURNIETJHENJ-OAHLLOKOSA-N -1 3 375.454 0.758 20 30 GCEDHM C#CCN(CCCOc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000819701749 606924196 /nfs/dbraw/zinc/92/41/96/606924196.db2.gz LYAURNIETJHENJ-OAHLLOKOSA-N -1 3 375.454 0.758 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C1(C#N)CCC1 ZINC000820443956 607000413 /nfs/dbraw/zinc/00/04/13/607000413.db2.gz BZYABDLFKKDRLP-NSHDSACASA-N -1 3 389.441 0.438 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C1(C#N)CCC1 ZINC000820443956 607000415 /nfs/dbraw/zinc/00/04/15/607000415.db2.gz BZYABDLFKKDRLP-NSHDSACASA-N -1 3 389.441 0.438 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822969725 607002325 /nfs/dbraw/zinc/00/23/25/607002325.db2.gz YVUSIZUQWRDUSA-BMRADRMJSA-N -1 3 386.343 0.966 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822969725 607002327 /nfs/dbraw/zinc/00/23/27/607002327.db2.gz YVUSIZUQWRDUSA-BMRADRMJSA-N -1 3 386.343 0.966 20 30 GCEDHM C=CCSCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819759077 607010417 /nfs/dbraw/zinc/01/04/17/607010417.db2.gz NVYVIALWXYEAKN-NSHDSACASA-N -1 3 396.498 0.569 20 30 GCEDHM C=CCSCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819759077 607010419 /nfs/dbraw/zinc/01/04/19/607010419.db2.gz NVYVIALWXYEAKN-NSHDSACASA-N -1 3 396.498 0.569 20 30 GCEDHM CC[C@@](C)(C#N)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820848547 607017303 /nfs/dbraw/zinc/01/73/03/607017303.db2.gz YOXBLSFUJRWSMK-BONVTDFDSA-N -1 3 377.430 0.342 20 30 GCEDHM CC[C@@](C)(C#N)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820848547 607017304 /nfs/dbraw/zinc/01/73/04/607017304.db2.gz YOXBLSFUJRWSMK-BONVTDFDSA-N -1 3 377.430 0.342 20 30 GCEDHM CC(C)C[C@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820051074 607019962 /nfs/dbraw/zinc/01/99/62/607019962.db2.gz KPLKHGGGFZOBPA-WCQYABFASA-N -1 3 391.457 0.588 20 30 GCEDHM CC(C)C[C@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820051074 607019964 /nfs/dbraw/zinc/01/99/64/607019964.db2.gz KPLKHGGGFZOBPA-WCQYABFASA-N -1 3 391.457 0.588 20 30 GCEDHM C=CC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819729145 607025265 /nfs/dbraw/zinc/02/52/65/607025265.db2.gz DJANJRKCDTURLI-LBPRGKRZSA-N -1 3 390.469 0.958 20 30 GCEDHM C=CC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819729145 607025267 /nfs/dbraw/zinc/02/52/67/607025267.db2.gz DJANJRKCDTURLI-LBPRGKRZSA-N -1 3 390.469 0.958 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000820445125 607054645 /nfs/dbraw/zinc/05/46/45/607054645.db2.gz NWPIYZWIJKYMSX-JKOKRWQUSA-N -1 3 389.441 0.342 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000820445125 607054647 /nfs/dbraw/zinc/05/46/47/607054647.db2.gz NWPIYZWIJKYMSX-JKOKRWQUSA-N -1 3 389.441 0.342 20 30 GCEDHM CC(C)[C@@H](C#N)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820444152 607082286 /nfs/dbraw/zinc/08/22/86/607082286.db2.gz HEEPBGUOABXXJD-GXFFZTMASA-N -1 3 378.414 0.625 20 30 GCEDHM CC(C)[C@@H](C#N)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820444152 607082288 /nfs/dbraw/zinc/08/22/88/607082288.db2.gz HEEPBGUOABXXJD-GXFFZTMASA-N -1 3 378.414 0.625 20 30 GCEDHM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cnc(N3CCN(C)CC3)nc2)o1 ZINC000824352803 607887308 /nfs/dbraw/zinc/88/73/08/607887308.db2.gz OLXWFGDSWXEXKI-UHFFFAOYSA-N -1 3 397.447 0.966 20 30 GCEDHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000825934685 608036001 /nfs/dbraw/zinc/03/60/01/608036001.db2.gz PTGDOLLVACQPAR-CQSZACIVSA-N -1 3 380.416 0.135 20 30 GCEDHM N#Cc1cc(-c2nnn[n-]2)c(SCCn2cc([N+](=O)[O-])ccc2=O)nc1N ZINC000826383542 608077446 /nfs/dbraw/zinc/07/74/46/608077446.db2.gz GBMTYAPOEBJMIH-UHFFFAOYSA-N -1 3 385.369 0.578 20 30 GCEDHM N#Cc1cc(-c2nn[n-]n2)c(SCCn2cc([N+](=O)[O-])ccc2=O)nc1N ZINC000826383542 608077447 /nfs/dbraw/zinc/07/74/47/608077447.db2.gz GBMTYAPOEBJMIH-UHFFFAOYSA-N -1 3 385.369 0.578 20 30 GCEDHM COCC#CCOC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826147213 608104415 /nfs/dbraw/zinc/10/44/15/608104415.db2.gz PYPNMRHFZGCYRR-AWEZNQCLSA-N -1 3 398.379 0.265 20 30 GCEDHM COCC#CCOC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826147213 608104416 /nfs/dbraw/zinc/10/44/16/608104416.db2.gz PYPNMRHFZGCYRR-AWEZNQCLSA-N -1 3 398.379 0.265 20 30 GCEDHM C#CCOCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823856777 608125960 /nfs/dbraw/zinc/12/59/60/608125960.db2.gz XXGHIFBNAQUCDU-UHFFFAOYSA-N -1 3 375.332 0.814 20 30 GCEDHM C#CCOCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000823856566 608145254 /nfs/dbraw/zinc/14/52/54/608145254.db2.gz UDRLVKRLAXXOLL-UHFFFAOYSA-N -1 3 380.311 0.173 20 30 GCEDHM C#CCOCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000823856566 608145255 /nfs/dbraw/zinc/14/52/55/608145255.db2.gz UDRLVKRLAXXOLL-UHFFFAOYSA-N -1 3 380.311 0.173 20 30 GCEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCC(=O)N1CCOC[C@H]1C1CC1 ZINC000826383886 608227500 /nfs/dbraw/zinc/22/75/00/608227500.db2.gz WHKVYQSYWBJSJC-LBPRGKRZSA-N -1 3 386.441 0.445 20 30 GCEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCC(=O)N1CCOC[C@H]1C1CC1 ZINC000826383886 608227501 /nfs/dbraw/zinc/22/75/01/608227501.db2.gz WHKVYQSYWBJSJC-LBPRGKRZSA-N -1 3 386.441 0.445 20 30 GCEDHM CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000825570681 608261897 /nfs/dbraw/zinc/26/18/97/608261897.db2.gz MSBNSIVNEZYTHZ-UHFFFAOYSA-N -1 3 383.372 0.744 20 30 GCEDHM CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000825570681 608261899 /nfs/dbraw/zinc/26/18/99/608261899.db2.gz MSBNSIVNEZYTHZ-UHFFFAOYSA-N -1 3 383.372 0.744 20 30 GCEDHM CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000825571327 608262192 /nfs/dbraw/zinc/26/21/92/608262192.db2.gz YCOFODFWAAJCLQ-UHFFFAOYSA-N -1 3 381.356 0.801 20 30 GCEDHM CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000825571327 608262193 /nfs/dbraw/zinc/26/21/93/608262193.db2.gz YCOFODFWAAJCLQ-UHFFFAOYSA-N -1 3 381.356 0.801 20 30 GCEDHM C#CCN(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000823844604 608336845 /nfs/dbraw/zinc/33/68/45/608336845.db2.gz CTPAUGQZRBFABY-NSHDSACASA-N -1 3 378.389 0.660 20 30 GCEDHM C#CCN(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000823844604 608336847 /nfs/dbraw/zinc/33/68/47/608336847.db2.gz CTPAUGQZRBFABY-NSHDSACASA-N -1 3 378.389 0.660 20 30 GCEDHM CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000824148365 608339998 /nfs/dbraw/zinc/33/99/98/608339998.db2.gz RQYMLMVCWCJHPE-UHFFFAOYSA-N -1 3 393.411 0.945 20 30 GCEDHM CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000824148365 608340000 /nfs/dbraw/zinc/34/00/00/608340000.db2.gz RQYMLMVCWCJHPE-UHFFFAOYSA-N -1 3 393.411 0.945 20 30 GCEDHM C#CCN1CCN(C(=O)CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC000823850288 608461316 /nfs/dbraw/zinc/46/13/16/608461316.db2.gz MTETVRIYKVZMDR-UHFFFAOYSA-N -1 3 391.479 0.733 20 30 GCEDHM CCOC(=O)c1c(NC(=O)CSCC#N)c(-c2nnn[n-]2)cn1CCOC ZINC000825559991 609169267 /nfs/dbraw/zinc/16/92/67/609169267.db2.gz MJKHEWSCGKLMLV-UHFFFAOYSA-N -1 3 393.429 0.687 20 30 GCEDHM CCOC(=O)c1c(NC(=O)CSCC#N)c(-c2nn[n-]n2)cn1CCOC ZINC000825559991 609169268 /nfs/dbraw/zinc/16/92/68/609169268.db2.gz MJKHEWSCGKLMLV-UHFFFAOYSA-N -1 3 393.429 0.687 20 30 GCEDHM CN(C(=O)Cn1c(N)nc(C#N)c1-c1nnn[n-]1)c1nc2ccccc2s1 ZINC000825821026 609174334 /nfs/dbraw/zinc/17/43/34/609174334.db2.gz ZQBPBUNDAREZRZ-UHFFFAOYSA-N -1 3 380.397 0.790 20 30 GCEDHM CN(C(=O)Cn1c(N)nc(C#N)c1-c1nn[n-]n1)c1nc2ccccc2s1 ZINC000825821026 609174335 /nfs/dbraw/zinc/17/43/35/609174335.db2.gz ZQBPBUNDAREZRZ-UHFFFAOYSA-N -1 3 380.397 0.790 20 30 GCEDHM COc1cc(NC(=O)CCn2cnc(C#N)c2-c2nnn[n-]2)cc(OC)c1OC ZINC000826180477 609186882 /nfs/dbraw/zinc/18/68/82/609186882.db2.gz JJSZGNUQYJCSDP-UHFFFAOYSA-N -1 3 398.383 0.989 20 30 GCEDHM N#Cc1cc(C(=O)NC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)c[nH]1 ZINC000826383795 609205486 /nfs/dbraw/zinc/20/54/86/609205486.db2.gz QNGUXESCXYJBPX-AWEZNQCLSA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1cc(C(=O)NC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)c[nH]1 ZINC000826383795 609205488 /nfs/dbraw/zinc/20/54/88/609205488.db2.gz QNGUXESCXYJBPX-AWEZNQCLSA-N -1 3 379.384 0.333 20 30 GCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000824974744 609220796 /nfs/dbraw/zinc/22/07/96/609220796.db2.gz FCUDHVLOGNUJOQ-SNVBAGLBSA-N -1 3 379.384 0.381 20 30 GCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000824974744 609220798 /nfs/dbraw/zinc/22/07/98/609220798.db2.gz FCUDHVLOGNUJOQ-SNVBAGLBSA-N -1 3 379.384 0.381 20 30 GCEDHM CN(CCCCNC(=O)c1c[nH]c(C#N)c1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825919104 609228310 /nfs/dbraw/zinc/22/83/10/609228310.db2.gz TZXNXVBIMLHUBW-UHFFFAOYSA-N -1 3 381.400 0.677 20 30 GCEDHM CN(CCCCNC(=O)c1c[nH]c(C#N)c1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825919104 609228311 /nfs/dbraw/zinc/22/83/11/609228311.db2.gz TZXNXVBIMLHUBW-UHFFFAOYSA-N -1 3 381.400 0.677 20 30 GCEDHM C=CCNC(=O)CNC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000823920115 609271184 /nfs/dbraw/zinc/27/11/84/609271184.db2.gz XIOZPJFFVHLKMM-UHFFFAOYSA-N -1 3 388.388 0.859 20 30 GCEDHM C=CCNC(=O)CNC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000823920115 609271186 /nfs/dbraw/zinc/27/11/86/609271186.db2.gz XIOZPJFFVHLKMM-UHFFFAOYSA-N -1 3 388.388 0.859 20 30 GCEDHM CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000825938338 609298799 /nfs/dbraw/zinc/29/87/99/609298799.db2.gz POCMIXPYQZNQQI-UHFFFAOYSA-N -1 3 380.416 0.818 20 30 GCEDHM CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000825938338 609298801 /nfs/dbraw/zinc/29/88/01/609298801.db2.gz POCMIXPYQZNQQI-UHFFFAOYSA-N -1 3 380.416 0.818 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC(C)(C)C#N ZINC000824632752 609357992 /nfs/dbraw/zinc/35/79/92/609357992.db2.gz CZROENHPLSWDEU-JTQLQIEISA-N -1 3 378.414 0.626 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(C)(C)C#N ZINC000824632752 609357995 /nfs/dbraw/zinc/35/79/95/609357995.db2.gz CZROENHPLSWDEU-JTQLQIEISA-N -1 3 378.414 0.626 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC(C)(C)C#N ZINC000824640245 609358511 /nfs/dbraw/zinc/35/85/11/609358511.db2.gz DWSJVBORKZFVSM-SNVBAGLBSA-N -1 3 378.414 0.626 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC(C)(C)C#N ZINC000824640245 609358517 /nfs/dbraw/zinc/35/85/17/609358517.db2.gz DWSJVBORKZFVSM-SNVBAGLBSA-N -1 3 378.414 0.626 20 30 GCEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000825620785 609414030 /nfs/dbraw/zinc/41/40/30/609414030.db2.gz HXKBTSDLVBOLLZ-UHFFFAOYSA-N -1 3 381.356 0.563 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(C)(C)C#N ZINC000824632616 609430295 /nfs/dbraw/zinc/43/02/95/609430295.db2.gz CEMZGBKTQYAOLT-JTQLQIEISA-N -1 3 377.430 0.199 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C)(C)C#N ZINC000824632616 609430297 /nfs/dbraw/zinc/43/02/97/609430297.db2.gz CEMZGBKTQYAOLT-JTQLQIEISA-N -1 3 377.430 0.199 20 30 GCEDHM CCC[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC000825242690 609451954 /nfs/dbraw/zinc/45/19/54/609451954.db2.gz YRCDIWQQSAUXTE-LBPRGKRZSA-N -1 3 381.400 0.723 20 30 GCEDHM CCC[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC000825242690 609451957 /nfs/dbraw/zinc/45/19/57/609451957.db2.gz YRCDIWQQSAUXTE-LBPRGKRZSA-N -1 3 381.400 0.723 20 30 GCEDHM CCC[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC000825242689 609452407 /nfs/dbraw/zinc/45/24/07/609452407.db2.gz YRCDIWQQSAUXTE-GFCCVEGCSA-N -1 3 381.400 0.723 20 30 GCEDHM CCC[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC000825242689 609452412 /nfs/dbraw/zinc/45/24/12/609452412.db2.gz YRCDIWQQSAUXTE-GFCCVEGCSA-N -1 3 381.400 0.723 20 30 GCEDHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824237554 609457962 /nfs/dbraw/zinc/45/79/62/609457962.db2.gz TTWYZFALMUEUCN-AWEZNQCLSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824237554 609457965 /nfs/dbraw/zinc/45/79/65/609457965.db2.gz TTWYZFALMUEUCN-AWEZNQCLSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)(C)OC(=O)CNC(=O)CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000824100304 609484907 /nfs/dbraw/zinc/48/49/07/609484907.db2.gz QFBQMDQXWZSZKL-UHFFFAOYSA-N -1 3 390.429 0.266 20 30 GCEDHM CC(C)(C)OC(=O)CNC(=O)CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000824100304 609484910 /nfs/dbraw/zinc/48/49/10/609484910.db2.gz QFBQMDQXWZSZKL-UHFFFAOYSA-N -1 3 390.429 0.266 20 30 GCEDHM COC(=O)CN(CC#N)C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826138163 609585121 /nfs/dbraw/zinc/58/51/21/609585121.db2.gz HZNUBAUNCSJQBM-UHFFFAOYSA-N -1 3 380.368 0.500 20 30 GCEDHM COC(=O)CN(CC#N)C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826138163 609585123 /nfs/dbraw/zinc/58/51/23/609585123.db2.gz HZNUBAUNCSJQBM-UHFFFAOYSA-N -1 3 380.368 0.500 20 30 GCEDHM N#Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c[nH]1 ZINC000826383688 609607305 /nfs/dbraw/zinc/60/73/05/609607305.db2.gz LPQNBQGWLJNGDB-OAHLLOKOSA-N -1 3 376.380 0.992 20 30 GCEDHM N#Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c[nH]1 ZINC000826383688 609607307 /nfs/dbraw/zinc/60/73/07/609607307.db2.gz LPQNBQGWLJNGDB-OAHLLOKOSA-N -1 3 376.380 0.992 20 30 GCEDHM N#Cc1cccc(CNC(=O)COC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826386361 609630658 /nfs/dbraw/zinc/63/06/58/609630658.db2.gz AUQJSAFMRSOUKV-KRWDZBQOSA-N -1 3 392.375 0.631 20 30 GCEDHM N#Cc1cccc(CNC(=O)COC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826386361 609630659 /nfs/dbraw/zinc/63/06/59/609630659.db2.gz AUQJSAFMRSOUKV-KRWDZBQOSA-N -1 3 392.375 0.631 20 30 GCEDHM C#CCNS(=O)(=O)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000895915838 639033893 /nfs/dbraw/zinc/03/38/93/639033893.db2.gz LTMQUTDDCFIJIT-UHFFFAOYSA-N -1 3 388.287 0.740 20 30 GCEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC[S@@](C)=O ZINC000730105893 639232338 /nfs/dbraw/zinc/23/23/38/639232338.db2.gz WRYJBJAKXNMCPY-RKNYENMMSA-N -1 3 385.511 0.779 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NCCCOCC(F)(F)F ZINC000914768093 639744061 /nfs/dbraw/zinc/74/40/61/639744061.db2.gz XNCJHSJWMFSLRF-UHFFFAOYSA-N -1 3 379.360 0.810 20 30 GCEDHM C[C@H](OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)N(C)CCC#N ZINC000750214212 640359146 /nfs/dbraw/zinc/35/91/46/640359146.db2.gz QPKFJVPHABGCAU-VIFPVBQESA-N -1 3 393.874 0.984 20 30 GCEDHM CN(C(=O)COC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(C)(C)C#N ZINC000750219179 640359834 /nfs/dbraw/zinc/35/98/34/640359834.db2.gz MGXVZJWKJPANSA-UHFFFAOYSA-N -1 3 393.874 0.984 20 30 GCEDHM C#CCNS(=O)(=O)c1ccc(C(=O)Nc2n[n-]c(SCCO)n2)cc1 ZINC000762591405 640611048 /nfs/dbraw/zinc/61/10/48/640611048.db2.gz PKEGGHOKZUHSBN-UHFFFAOYSA-N -1 3 381.439 0.053 20 30 GCEDHM CS[C@H](CO)[C@H](C)NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000769338755 640771732 /nfs/dbraw/zinc/77/17/32/640771732.db2.gz CLHNAPORKUHXIW-NTZNESFSSA-N -1 3 385.511 0.732 20 30 GCEDHM C=CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000769710035 640782387 /nfs/dbraw/zinc/78/23/87/640782387.db2.gz GSQAQALPKAOOGF-LBPRGKRZSA-N -1 3 388.467 0.579 20 30 GCEDHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2ccc(C#N)cn2)cc1F ZINC000780888446 641221250 /nfs/dbraw/zinc/22/12/50/641221250.db2.gz QEDYGSGFHIWBPM-UHFFFAOYSA-N -1 3 384.414 0.942 20 30 GCEDHM CNS(=O)(=O)c1cccc(NC(=O)C[N-]S(=O)(=O)CC(C)(C)C#N)c1 ZINC000790017034 641403388 /nfs/dbraw/zinc/40/33/88/641403388.db2.gz DSKCYPTXMMNJMU-UHFFFAOYSA-N -1 3 388.471 0.002 20 30 GCEDHM CC(C(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1)S(=O)(=O)C1CCOCC1 ZINC000797244618 641559711 /nfs/dbraw/zinc/55/97/11/641559711.db2.gz MMTSFWOSSWMHNJ-GFCCVEGCSA-N -1 3 392.499 0.499 20 30 GCEDHM C#CCOCCNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000799383126 641604873 /nfs/dbraw/zinc/60/48/73/641604873.db2.gz XZPYYKCNKUJXOF-UHFFFAOYSA-N -1 3 377.825 0.706 20 30 GCEDHM C#CCC[C@@H](O)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000799665736 641609520 /nfs/dbraw/zinc/60/95/20/641609520.db2.gz HTDSYJJHQNDBBQ-GFCCVEGCSA-N -1 3 391.852 0.831 20 30 GCEDHM C#CCC[C@@H](O)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000799671524 641610019 /nfs/dbraw/zinc/61/00/19/641610019.db2.gz ORFLNKREWLFZQM-GFCCVEGCSA-N -1 3 375.397 0.317 20 30 GCEDHM C#CCn1cc(C[N-]S(=O)(=O)N=[S@](=O)(c2ccccc2)N(C)C)cn1 ZINC000882349791 641713268 /nfs/dbraw/zinc/71/32/68/641713268.db2.gz YKCIEWQIOIFYOD-XMMPIXPASA-N -1 3 381.483 0.854 20 30 GCEDHM O=C(Cn1cnc2ccc(Br)cc2c1=O)N[C@H]1CCCN([O-])C1=O ZINC000816757624 641864873 /nfs/dbraw/zinc/86/48/73/641864873.db2.gz XIBUNUSFMFXFJY-LBPRGKRZSA-N -1 3 395.213 0.655 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N(CCO)C1CCSCC1 ZINC000819605206 641937613 /nfs/dbraw/zinc/93/76/13/641937613.db2.gz GXEYYLJYEAAKFX-UHFFFAOYSA-N -1 3 383.495 0.442 20 30 GCEDHM C#CCOC(=O)[C@@H](CCS(C)(=O)=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000928977771 641953995 /nfs/dbraw/zinc/95/39/95/641953995.db2.gz JCRBEELXUVTULJ-UZGISAJGSA-N -1 3 385.463 0.556 20 30 GCEDHM N#Cc1nc(N)n(Cc2cn3cc(Br)ccc3n2)c1-c1nnn[n-]1 ZINC000826387589 642057262 /nfs/dbraw/zinc/05/72/62/642057262.db2.gz DXMFMXHYCJSITN-UHFFFAOYSA-N -1 3 385.189 0.976 20 30 GCEDHM N#Cc1nc(N)n(Cc2cn3cc(Br)ccc3n2)c1-c1nn[n-]n1 ZINC000826387589 642057269 /nfs/dbraw/zinc/05/72/69/642057269.db2.gz DXMFMXHYCJSITN-UHFFFAOYSA-N -1 3 385.189 0.976 20 30 GCEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1cn(C)nc1Br)C(=O)OC ZINC000867220050 642266220 /nfs/dbraw/zinc/26/62/20/642266220.db2.gz DWSVORVRFWNEOG-QMMMGPOBSA-N -1 3 382.236 0.205 20 30 GCEDHM C#CCC[C@H](O)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867227192 642268530 /nfs/dbraw/zinc/26/85/30/642268530.db2.gz YCYYAOCNLCNIQD-QMMMGPOBSA-N -1 3 383.211 0.077 20 30 GCEDHM C#CC[C@@H](NC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C(=O)OC ZINC000837942628 642282779 /nfs/dbraw/zinc/28/27/79/642282779.db2.gz PBDFQDJRNVVAON-WDEREUQCSA-N -1 3 387.845 0.473 20 30 GCEDHM C#C[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br ZINC000867339313 642388003 /nfs/dbraw/zinc/38/80/03/642388003.db2.gz GCNXVWXJUMWDEL-SSDOTTSWSA-N -1 3 380.191 0.647 20 30 GCEDHM CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1Br ZINC000848136255 642528719 /nfs/dbraw/zinc/52/87/19/642528719.db2.gz VANVAVXTXWFOCW-SNVBAGLBSA-N -1 3 391.243 0.963 20 30 GCEDHM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1F)C(C)C ZINC000848963557 642595108 /nfs/dbraw/zinc/59/51/08/642595108.db2.gz VIUCMANTQFMUGZ-ZDUSSCGKSA-N -1 3 377.463 0.930 20 30 GCEDHM C#CC[C@H](CCOC)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000859424096 643011739 /nfs/dbraw/zinc/01/17/39/643011739.db2.gz NRXPUGBSRZIVOF-LLVKDONJSA-N -1 3 378.447 0.904 20 30 GCEDHM CC[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C ZINC000843722247 1192897923 /nfs/dbraw/zinc/89/79/23/1192897923.db2.gz YCNGQTXKWDYPJZ-LBPRGKRZSA-N -1 3 381.454 0.962 20 30 GCEDHM CC(C)OCCS(=O)(=O)[N-]CC(=O)OCC(=O)Nc1ccc(C#N)cc1 ZINC000748145404 1185046496 /nfs/dbraw/zinc/04/64/96/1185046496.db2.gz KEFUFHZRGJAVAO-UHFFFAOYSA-N -1 3 383.426 0.384 20 30 GCEDHM CC(C)OCCS(=O)(=O)[N-]CC(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000748150121 1185090191 /nfs/dbraw/zinc/09/01/91/1185090191.db2.gz YYJBYHGAJINLBM-ZDUSSCGKSA-N -1 3 397.453 0.773 20 30 GCEDHM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000160852159 1185595062 /nfs/dbraw/zinc/59/50/62/1185595062.db2.gz SLAVVJBXOAKQJW-LBPRGKRZSA-N -1 3 375.392 0.936 20 30 GCEDHM CCN1C(=O)[C@H]2CN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CCN2C1=O ZINC000610584328 1186047892 /nfs/dbraw/zinc/04/78/92/1186047892.db2.gz VZRXFQZODLAHIR-OAHLLOKOSA-N -1 3 385.424 0.703 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000478429626 1186517079 /nfs/dbraw/zinc/51/70/79/1186517079.db2.gz FUJFQAPTILTPSS-HNNXBMFYSA-N -1 3 376.457 0.360 20 30 GCEDHM C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001025170663 1187905688 /nfs/dbraw/zinc/90/56/88/1187905688.db2.gz RZVGCYUYZUQADT-NHIYQJMISA-N -1 3 390.440 0.163 20 30 GCEDHM CCn1ccc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)n1 ZINC000416399891 1189512127 /nfs/dbraw/zinc/51/21/27/1189512127.db2.gz IQTCHOCJAAGYLR-UHFFFAOYSA-N -1 3 397.482 0.526 20 30 GCEDHM C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000378470894 1189515226 /nfs/dbraw/zinc/51/52/26/1189515226.db2.gz IKNXLVQYQZLESX-UHFFFAOYSA-N -1 3 383.408 0.769 20 30 GCEDHM N#CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000584665764 1189616599 /nfs/dbraw/zinc/61/65/99/1189616599.db2.gz ZGGPNEYJECXZQC-UHFFFAOYSA-N -1 3 395.832 0.267 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H](c3ncon3)C2)ccc1F ZINC000364267802 1189727155 /nfs/dbraw/zinc/72/71/55/1189727155.db2.gz MFHXYWMMKOQAOX-ZDUSSCGKSA-N -1 3 396.400 0.887 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCN2CCOC[C@H]2C)ccc1F ZINC000729385234 1193916303 /nfs/dbraw/zinc/91/63/03/1193916303.db2.gz CZQDYNRCWVJANB-CYBMUJFWSA-N -1 3 385.461 0.741 20 30 GCEDHM COC(=O)[C@@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)Cc1ccc([O-])c(F)c1 ZINC000420643937 1194251047 /nfs/dbraw/zinc/25/10/47/1194251047.db2.gz YARXRXKPNNCGNW-LLVKDONJSA-N -1 3 390.371 0.244 20 30 GCEDHM C=CCn1cc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)nn1 ZINC000425180711 1194868159 /nfs/dbraw/zinc/86/81/59/1194868159.db2.gz ULMODCWGNAQKCF-UHFFFAOYSA-N -1 3 397.482 0.383 20 30 GCEDHM C=CCn1cc(C[N-]S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)nn1 ZINC000425179254 1194868346 /nfs/dbraw/zinc/86/83/46/1194868346.db2.gz PCONHUBYDPINQV-UHFFFAOYSA-N -1 3 397.482 0.383 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)CCO1 ZINC000436498904 1195011720 /nfs/dbraw/zinc/01/17/20/1195011720.db2.gz XVSXGAWOBFBUCE-CQSZACIVSA-N -1 3 394.453 0.056 20 30 GCEDHM N#Cc1ccc(C(=O)NCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000436784629 1195037128 /nfs/dbraw/zinc/03/71/28/1195037128.db2.gz MRNATADEBSZOQG-UHFFFAOYSA-N -1 3 392.415 0.978 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)C(=O)NC(=O)NC(C)C ZINC000018588022 1195586266 /nfs/dbraw/zinc/58/62/66/1195586266.db2.gz YESHPYZUMBIDET-GFCCVEGCSA-N -1 3 376.413 0.962 20 30 GCEDHM CCCCNC(=O)NC(=O)COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000018587878 1195586388 /nfs/dbraw/zinc/58/63/88/1195586388.db2.gz QHIYRLSKWKDYLT-UHFFFAOYSA-N -1 3 376.413 0.965 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000018588024 1195586457 /nfs/dbraw/zinc/58/64/57/1195586457.db2.gz YESHPYZUMBIDET-LBPRGKRZSA-N -1 3 376.413 0.962 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1 ZINC000015720584 1196073850 /nfs/dbraw/zinc/07/38/50/1196073850.db2.gz PZSBOXLLOWTCJQ-UHFFFAOYSA-N -1 3 381.392 0.633 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C[C@H](C)O)C[C@H]2C)ccc1F ZINC000281670555 1196321152 /nfs/dbraw/zinc/32/11/52/1196321152.db2.gz TUMQRMLUGSZFTN-KGLIPLIRSA-N -1 3 399.488 0.817 20 30 GCEDHM C[C@H](C#N)CN(C)S(=O)(=O)[N-][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000281792460 1196332106 /nfs/dbraw/zinc/33/21/06/1196332106.db2.gz OPELTWOPOHFHRA-ZJUUUORDSA-N -1 3 382.450 0.868 20 30 GCEDHM N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2n[n-]c(SCCO)n2)cc1 ZINC000475436407 1196417482 /nfs/dbraw/zinc/41/74/82/1196417482.db2.gz XORQYAILFOVGDI-UHFFFAOYSA-N -1 3 396.454 0.333 20 30 GCEDHM CCS(=O)(=O)N1CC(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000527120171 1196766768 /nfs/dbraw/zinc/76/67/68/1196766768.db2.gz JJVOECFOZUJSII-UHFFFAOYSA-N -1 3 380.470 0.606 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCC(=O)Nc2ncc[nH]2)ccc1F ZINC001625959692 1197227291 /nfs/dbraw/zinc/22/72/91/1197227291.db2.gz REENXROEJYFELS-UHFFFAOYSA-N -1 3 395.416 0.772 20 30 GCEDHM CNS(=O)(=O)c1cccc(NC(=O)C/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000729149982 1197240750 /nfs/dbraw/zinc/24/07/50/1197240750.db2.gz PKCFSSWIRRRZHP-UFWORHAWSA-N -1 3 392.437 0.554 20 30 GCEDHM C[C@H](CC(=O)N1CCC(=O)N2CCC[C@H]21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000888171967 1197307756 /nfs/dbraw/zinc/30/77/56/1197307756.db2.gz BQLGGLKOJMQVAC-IUODEOHRSA-N -1 3 390.465 0.685 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000272844311 1197565137 /nfs/dbraw/zinc/56/51/37/1197565137.db2.gz MMHULAREWVDCTJ-UHFFFAOYSA-N -1 3 381.454 0.460 20 30 GCEDHM C[C@H](CC(=O)N1CCC[C@H]1C1OCCO1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000888433476 1199622400 /nfs/dbraw/zinc/62/24/00/1199622400.db2.gz VCNPMCDJACQHOG-OCCSQVGLSA-N -1 3 393.465 0.868 20 30 GCEDHM Cc1nc(C#N)c(N2CCC(C(=O)Nc3n[n-]c(SCCO)n3)CC2)o1 ZINC000555282445 1199842353 /nfs/dbraw/zinc/84/23/53/1199842353.db2.gz WCWIRHFOWPWVOV-UHFFFAOYSA-N -1 3 377.430 0.912 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2cc(=O)[n-]c(C3CC3)n2)C[C@H]1OC ZINC001082149875 1201320898 /nfs/dbraw/zinc/32/08/98/1201320898.db2.gz SPVDKIGROUBRNI-WCXIOVBPSA-N -1 3 388.468 0.966 20 30 GCEDHM O=S1(=O)[N-]C(=NN=C2CCN(CCN3CCOCC3)CC2)c2ccccc21 ZINC000731559236 1201488088 /nfs/dbraw/zinc/48/80/88/1201488088.db2.gz VULPQFJVTMFGFC-UHFFFAOYSA-N -1 3 391.497 0.509 20 30 GCEDHM COC(=O)c1ccc(CNC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)o1 ZINC000734105945 1201642753 /nfs/dbraw/zinc/64/27/53/1201642753.db2.gz JSGSPHZXHZZNOY-UHFFFAOYSA-N -1 3 377.378 0.421 20 30 GCEDHM O=C(Cn1ccc(C=N[O-])nc1=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000736306716 1201712773 /nfs/dbraw/zinc/71/27/73/1201712773.db2.gz KARCHCLLNMBWDX-UHFFFAOYSA-N -1 3 383.408 0.604 20 30 GCEDHM COC(=O)[C@@H](CNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)CC(C)C ZINC000741716255 1201783096 /nfs/dbraw/zinc/78/30/96/1201783096.db2.gz BUMBTWFLWZRCFV-GFCCVEGCSA-N -1 3 381.454 0.677 20 30 GCEDHM COCCOCCCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742490323 1201798483 /nfs/dbraw/zinc/79/84/83/1201798483.db2.gz JZICHGVOFIVMSX-ZDUSSCGKSA-N -1 3 383.470 0.673 20 30 GCEDHM CC(=O)NC[C@H]1CCCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000742494087 1201798796 /nfs/dbraw/zinc/79/87/96/1201798796.db2.gz JGGAPMJYCYJSLA-CYBMUJFWSA-N -1 3 378.454 0.100 20 30 GCEDHM C[C@@H](CC(=O)N(C)CC(=O)N1CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742500100 1201798815 /nfs/dbraw/zinc/79/88/15/1201798815.db2.gz IDTUARWRYPIJDE-ZDUSSCGKSA-N -1 3 392.481 0.585 20 30 GCEDHM C[C@H](CC(=O)NCc1nnc2n1CCC2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742509530 1201798950 /nfs/dbraw/zinc/79/89/50/1201798950.db2.gz QNMVLHDAPTZNPG-LLVKDONJSA-N -1 3 388.453 0.358 20 30 GCEDHM C[C@H](CC(=O)N1CCCC[C@@H]1C(N)=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742530055 1201799608 /nfs/dbraw/zinc/79/96/08/1201799608.db2.gz SVSUBJKKOBBCNX-DGCLKSJQSA-N -1 3 378.454 0.370 20 30 GCEDHM C[C@H](CC(=O)N[C@H](C)Cn1ccnc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742543333 1201800200 /nfs/dbraw/zinc/80/02/00/1201800200.db2.gz FXRPZGSMNYSPGG-CHWSQXEVSA-N -1 3 375.454 0.905 20 30 GCEDHM COCCn1cc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cn1 ZINC000742553807 1201800756 /nfs/dbraw/zinc/80/07/56/1201800756.db2.gz KBQOKHUKVVEEHW-LBPRGKRZSA-N -1 3 391.453 0.985 20 30 GCEDHM C[C@@H](CC(=O)NCC(=O)NC1CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742595434 1201801902 /nfs/dbraw/zinc/80/19/02/1201801902.db2.gz LOOLRTAEUZAXHF-LBPRGKRZSA-N -1 3 392.481 0.679 20 30 GCEDHM CC(C)N1C[C@H](NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1=O ZINC000742612905 1201802746 /nfs/dbraw/zinc/80/27/46/1201802746.db2.gz MUFCDRAPBMMOOZ-CHWSQXEVSA-N -1 3 392.481 0.629 20 30 GCEDHM C[C@H](CC(=O)N(C)[C@H]1CCCCNC1=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742619779 1201802931 /nfs/dbraw/zinc/80/29/31/1201802931.db2.gz NPDHJXGVUHLPLB-OCCSQVGLSA-N -1 3 392.481 0.631 20 30 GCEDHM C[C@H](CC(=O)N1CCC2(C1)OCCO2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742634373 1201803888 /nfs/dbraw/zinc/80/38/88/1201803888.db2.gz ZONOAXGSNWLVRV-GFCCVEGCSA-N -1 3 379.438 0.479 20 30 GCEDHM CCCOC(=O)CCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742644029 1201804155 /nfs/dbraw/zinc/80/41/55/1201804155.db2.gz CGKYLSRJYDTDSY-LBPRGKRZSA-N -1 3 381.454 0.963 20 30 GCEDHM COCCN(CC(=O)OC)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742673435 1201804799 /nfs/dbraw/zinc/80/47/99/1201804799.db2.gz UQLCRBBJQBUDRD-LBPRGKRZSA-N -1 3 397.453 0.152 20 30 GCEDHM COC[C@@H]1CN(C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CCO1 ZINC000742708109 1201805252 /nfs/dbraw/zinc/80/52/52/1201805252.db2.gz ZVMFSSLJPGEISF-STQMWFEESA-N -1 3 381.454 0.378 20 30 GCEDHM C[C@H](CC(=O)NCCOC[C@@H]1CCOC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742656321 1201805387 /nfs/dbraw/zinc/80/53/87/1201805387.db2.gz RCAFBKHZODFYNQ-ZIAGYGMSSA-N -1 3 395.481 0.673 20 30 GCEDHM COC[C@H](C)NC(=O)NC(=O)COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000742734151 1201806357 /nfs/dbraw/zinc/80/63/57/1201806357.db2.gz NDLIBWOKXFXQJA-JTQLQIEISA-N -1 3 392.412 0.612 20 30 GCEDHM C[C@H](CC(=O)NC[C@@H](O)C1CCOCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743470877 1201818637 /nfs/dbraw/zinc/81/86/37/1201818637.db2.gz ZNYFXCCWMFHBQV-IUODEOHRSA-N -1 3 395.481 0.407 20 30 GCEDHM C[C@H](CC(=O)NC[C@H](O)c1cnn(C)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743650922 1201821675 /nfs/dbraw/zinc/82/16/75/1201821675.db2.gz YRACVBOMMWNLFX-RISCZKNCSA-N -1 3 391.453 0.087 20 30 GCEDHM C[C@@H](CC(=O)OCCN1CCCC1=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744104277 1201834847 /nfs/dbraw/zinc/83/48/47/1201834847.db2.gz ZDZMMESLAXEVQF-LBPRGKRZSA-N -1 3 379.438 0.669 20 30 GCEDHM C[C@H](CC(=O)OCC(=O)N1CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744114019 1201836571 /nfs/dbraw/zinc/83/65/71/1201836571.db2.gz STMZEMXXKIAFHJ-GFCCVEGCSA-N -1 3 379.438 0.669 20 30 GCEDHM CNC(=O)C1CCC(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000745123373 1201865065 /nfs/dbraw/zinc/86/50/65/1201865065.db2.gz LWVFXICYTHYCLA-UHFFFAOYSA-N -1 3 378.454 0.146 20 30 GCEDHM CCCNC(=O)[C@H](C)OC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745495220 1201879859 /nfs/dbraw/zinc/87/98/59/1201879859.db2.gz FMMBEUQPZQLZEK-RYUDHWBXSA-N -1 3 381.454 0.962 20 30 GCEDHM C[C@@H](CC(=O)OCc1cc(=O)c(O)co1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745498504 1201880179 /nfs/dbraw/zinc/88/01/79/1201880179.db2.gz XJJJICONNLZLHQ-JTQLQIEISA-N -1 3 392.389 0.906 20 30 GCEDHM C[C@H](CC(=O)OCc1cc(=O)c(O)co1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745498507 1201880275 /nfs/dbraw/zinc/88/02/75/1201880275.db2.gz XJJJICONNLZLHQ-SNVBAGLBSA-N -1 3 392.389 0.906 20 30 GCEDHM N#CCn1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cn1 ZINC000746354078 1201912329 /nfs/dbraw/zinc/91/23/29/1201912329.db2.gz CUVMMHHUGHKPFS-UHFFFAOYSA-N -1 3 382.380 0.035 20 30 GCEDHM NC(=O)[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc(F)cc1 ZINC000766747788 1201951518 /nfs/dbraw/zinc/95/15/18/1201951518.db2.gz SHOXXBSRHVFZBG-OAHLLOKOSA-N -1 3 390.396 0.207 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)C2CS(=O)(=O)C2)ccc1F ZINC001169750934 1201955628 /nfs/dbraw/zinc/95/56/28/1201955628.db2.gz BWZDWOWVSONNCP-UHFFFAOYSA-N -1 3 376.431 0.159 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N[C@@H]1CCCCC12OCCO2 ZINC000746491070 1201987554 /nfs/dbraw/zinc/98/75/54/1201987554.db2.gz AFRAKXMGTNYOPE-CQSZACIVSA-N -1 3 379.438 0.527 20 30 GCEDHM C[C@H](CC(=O)N1CCOC[C@H]1C[C@H](C)O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000768552663 1202023145 /nfs/dbraw/zinc/02/31/45/1202023145.db2.gz LOQJZQAQHDPQDT-HZSPNIEDSA-N -1 3 395.481 0.502 20 30 GCEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@H]1CCNC1=O ZINC000769955830 1202078965 /nfs/dbraw/zinc/07/89/65/1202078965.db2.gz SPDRRISGTNCJIM-STQMWFEESA-N -1 3 379.438 0.716 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000770891202 1202117826 /nfs/dbraw/zinc/11/78/26/1202117826.db2.gz XRZWFYCYXIZNKB-PXAZEXFGSA-N -1 3 379.438 0.179 20 30 GCEDHM C[C@H](CC(=O)N1CCC[C@@H](OCCO)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000771785963 1202159464 /nfs/dbraw/zinc/15/94/64/1202159464.db2.gz WNBTXLPPSTUNOD-ZIAGYGMSSA-N -1 3 395.481 0.504 20 30 GCEDHM COc1ccnc(COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c1OC ZINC000789001626 1205433737 /nfs/dbraw/zinc/43/37/37/1205433737.db2.gz YBPAPRDWKQDBAB-UHFFFAOYSA-N -1 3 391.405 0.881 20 30 GCEDHM C#CCNS(=O)(=O)c1cccc(C(=O)[N-]N2C(=O)c3ccccc3C2=O)c1 ZINC000789806901 1205448522 /nfs/dbraw/zinc/44/85/22/1205448522.db2.gz PVWJAQKERIHQBV-UHFFFAOYSA-N -1 3 383.385 0.539 20 30 GCEDHM COC1(CNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CCOCC1 ZINC000746911940 1205464467 /nfs/dbraw/zinc/46/44/67/1205464467.db2.gz FMGZTTDTUZAIDB-ZDUSSCGKSA-N -1 3 395.481 0.816 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)Nc1ccc(-n2cncn2)cn1 ZINC000791282656 1205475942 /nfs/dbraw/zinc/47/59/42/1205475942.db2.gz TZDNXVKSESODQE-UHFFFAOYSA-N -1 3 383.393 0.340 20 30 GCEDHM CC(=O)N1CCC[C@H](CNC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000794022781 1205511158 /nfs/dbraw/zinc/51/11/58/1205511158.db2.gz LWKIGOPFEVYBQT-CYBMUJFWSA-N -1 3 378.454 0.100 20 30 GCEDHM COC(=O)[C@@H]1C[C@H](F)CN1C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000794205556 1205512299 /nfs/dbraw/zinc/51/22/99/1205512299.db2.gz JEUWUWMWJHFGFG-GVXVVHGQSA-N -1 3 397.428 0.616 20 30 GCEDHM C[C@H](CC(=O)NCCn1cnc(C#N)n1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000804623161 1205519143 /nfs/dbraw/zinc/51/91/43/1205519143.db2.gz UREZAEMQYXXSCH-SNVBAGLBSA-N -1 3 397.848 0.071 20 30 GCEDHM COC1([C@@H](C)NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CCOCC1 ZINC001130015652 1205528789 /nfs/dbraw/zinc/52/87/89/1205528789.db2.gz HIPXRDKKSURTCQ-GFCCVEGCSA-N -1 3 381.454 0.425 20 30 GCEDHM CN1c2ccccc2C[C@H](NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1=O ZINC001131033814 1205589272 /nfs/dbraw/zinc/58/92/72/1205589272.db2.gz YTQQDMKTHJVGJV-AWEZNQCLSA-N -1 3 398.444 0.429 20 30 GCEDHM CNC(=O)[C@H](C)CN(C)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000747933114 1205690018 /nfs/dbraw/zinc/69/00/18/1205690018.db2.gz YQIQMAQNDGAFLR-VXGBXAGGSA-N -1 3 380.470 0.344 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@]2(C(=O)OC)C[C@@H](O)C2)ccc1F ZINC001175633822 1205739503 /nfs/dbraw/zinc/73/95/03/1205739503.db2.gz MKHWISRDAFYRSA-AITUWYQGSA-N -1 3 386.401 0.086 20 30 GCEDHM CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N([O-])C(=N)c1nonc1N ZINC001177078646 1205761173 /nfs/dbraw/zinc/76/11/73/1205761173.db2.gz MZNJMTXGCIZEJH-MRVPVSSYSA-N -1 3 380.365 0.054 20 30 GCEDHM O=C(CN=C1[N-]S(=O)(=O)c2ccccc21)N1CCC2(CCNC(=O)O2)CC1 ZINC001179541423 1205811517 /nfs/dbraw/zinc/81/15/17/1205811517.db2.gz JWTPHSPFNJYEFQ-UHFFFAOYSA-N -1 3 392.437 0.216 20 30 GCEDHM C#CC1(O)CN(C(=O)[C@H](CCCC)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC001179983088 1205815905 /nfs/dbraw/zinc/81/59/05/1205815905.db2.gz YVBRFTGCPWAVAP-AWEZNQCLSA-N -1 3 375.450 0.490 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@](C)(O)C(=O)OCC)ccc1F ZINC000774019713 1205860010 /nfs/dbraw/zinc/86/00/10/1205860010.db2.gz ZNBGJZDCPUNKDR-INIZCTEOSA-N -1 3 388.417 0.334 20 30 GCEDHM COC[C@H](OC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OC ZINC000774752996 1205911759 /nfs/dbraw/zinc/91/17/59/1205911759.db2.gz QBMYXXAHOLHUKG-JQWIXIFHSA-N -1 3 384.410 0.235 20 30 GCEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)C1=O ZINC000774930504 1205929184 /nfs/dbraw/zinc/92/91/84/1205929184.db2.gz SVYDRDPBHFFTPB-WBMJQRKESA-N -1 3 390.506 0.969 20 30 GCEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)nn2)c1 ZINC001190668840 1206040438 /nfs/dbraw/zinc/04/04/38/1206040438.db2.gz AUPIVCIGJORTTQ-UHFFFAOYSA-N -1 3 377.401 0.802 20 30 GCEDHM C#CC[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000819689308 945269972 /nfs/dbraw/zinc/26/99/72/945269972.db2.gz ZBEJJDPMIXOTJR-ABAIWWIYSA-N -1 3 389.437 0.879 20 30 GCEDHM C#CC[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000819689308 945269982 /nfs/dbraw/zinc/26/99/82/945269982.db2.gz ZBEJJDPMIXOTJR-ABAIWWIYSA-N -1 3 389.437 0.879 20 30 GCEDHM N#Cc1ccc(C(=O)NCC(=O)N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1 ZINC001571277299 945741347 /nfs/dbraw/zinc/74/13/47/945741347.db2.gz OTLJOLJXCWFUQV-KRWDZBQOSA-N -1 3 387.403 0.752 20 30 GCEDHM N#Cc1ccc(C(=O)NCC(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1 ZINC001571277299 945741357 /nfs/dbraw/zinc/74/13/57/945741357.db2.gz OTLJOLJXCWFUQV-KRWDZBQOSA-N -1 3 387.403 0.752 20 30 GCEDHM N#C[C@@]12CN(c3ncc(-c4nnn[n-]4)c4ccsc43)C[C@H]1CS(=O)(=O)C2 ZINC001571282584 945852154 /nfs/dbraw/zinc/85/21/54/945852154.db2.gz LGWCGMOHTIKQQS-VFZGTOFNSA-N -1 3 387.450 0.851 20 30 GCEDHM N#C[C@@]12CN(c3ncc(-c4nn[n-]n4)c4ccsc43)C[C@H]1CS(=O)(=O)C2 ZINC001571282584 945852169 /nfs/dbraw/zinc/85/21/69/945852169.db2.gz LGWCGMOHTIKQQS-VFZGTOFNSA-N -1 3 387.450 0.851 20 30 GCEDHM N#Cc1nccnc1N1CC[C@@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001571296199 946186521 /nfs/dbraw/zinc/18/65/21/946186521.db2.gz QGXPLJGQTZRUFM-GOSISDBHSA-N -1 3 390.411 0.599 20 30 GCEDHM N#Cc1nccnc1N1CC[C@@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571296199 946186529 /nfs/dbraw/zinc/18/65/29/946186529.db2.gz QGXPLJGQTZRUFM-GOSISDBHSA-N -1 3 390.411 0.599 20 30 GCEDHM N#Cc1ccccc1CN1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571310082 946461841 /nfs/dbraw/zinc/46/18/41/946461841.db2.gz UQYBNYFXEDNKPX-INIZCTEOSA-N -1 3 392.423 0.697 20 30 GCEDHM N#Cc1ccccc1CN1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571310082 946461848 /nfs/dbraw/zinc/46/18/48/946461848.db2.gz UQYBNYFXEDNKPX-INIZCTEOSA-N -1 3 392.423 0.697 20 30 GCEDHM C=CCNC(=O)NC(=O)[C@@H](C)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000823925872 946517825 /nfs/dbraw/zinc/51/78/25/946517825.db2.gz PKQZZZGXQJPGRA-LLVKDONJSA-N -1 3 389.416 0.704 20 30 GCEDHM C=CCNC(=O)NC(=O)[C@@H](C)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000823925872 946517837 /nfs/dbraw/zinc/51/78/37/946517837.db2.gz PKQZZZGXQJPGRA-LLVKDONJSA-N -1 3 389.416 0.704 20 30 GCEDHM CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571313452 946522261 /nfs/dbraw/zinc/52/22/61/946522261.db2.gz RLXPVLUAQPPJHM-QMTHXVAHSA-N -1 3 392.427 0.674 20 30 GCEDHM CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571313452 946522266 /nfs/dbraw/zinc/52/22/66/946522266.db2.gz RLXPVLUAQPPJHM-QMTHXVAHSA-N -1 3 392.427 0.674 20 30 GCEDHM Cc1cc(C#N)nc(N(C)C2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)n1 ZINC001571313579 946525895 /nfs/dbraw/zinc/52/58/95/946525895.db2.gz SCBBSUFLADVPOO-UHFFFAOYSA-N -1 3 392.427 0.906 20 30 GCEDHM Cc1cc(C#N)nc(N(C)C2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)n1 ZINC001571313579 946525906 /nfs/dbraw/zinc/52/59/06/946525906.db2.gz SCBBSUFLADVPOO-UHFFFAOYSA-N -1 3 392.427 0.906 20 30 GCEDHM C#CCCCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCN(C)C(=O)C1 ZINC001573282095 946684317 /nfs/dbraw/zinc/68/43/17/946684317.db2.gz FTSQMXDPHHVUFB-UHFFFAOYSA-N -1 3 391.439 0.817 20 30 GCEDHM C#CCCCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCN(C)C(=O)C1 ZINC001573282095 946684320 /nfs/dbraw/zinc/68/43/20/946684320.db2.gz FTSQMXDPHHVUFB-UHFFFAOYSA-N -1 3 391.439 0.817 20 30 GCEDHM C#CCN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCN(C(=O)C(F)F)CC1 ZINC001573282851 946699577 /nfs/dbraw/zinc/69/95/77/946699577.db2.gz MVJXEPZGUXKOST-UHFFFAOYSA-N -1 3 377.355 0.526 20 30 GCEDHM C#CCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCN(C(=O)C(F)F)CC1 ZINC001573282851 946699583 /nfs/dbraw/zinc/69/95/83/946699583.db2.gz MVJXEPZGUXKOST-UHFFFAOYSA-N -1 3 377.355 0.526 20 30 GCEDHM C#CCN(C(=O)Cc1ccon1)C1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573283222 946709741 /nfs/dbraw/zinc/70/97/41/946709741.db2.gz QDDWHCYKFZFTSC-UHFFFAOYSA-N -1 3 392.423 0.923 20 30 GCEDHM C#CCN(C(=O)Cc1ccon1)C1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573283222 946709750 /nfs/dbraw/zinc/70/97/50/946709750.db2.gz QDDWHCYKFZFTSC-UHFFFAOYSA-N -1 3 392.423 0.923 20 30 GCEDHM C#CCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001573283250 946710302 /nfs/dbraw/zinc/71/03/02/946710302.db2.gz QKGQXVSZVRQAES-WFASDCNBSA-N -1 3 381.440 0.917 20 30 GCEDHM C#CCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001573283250 946710308 /nfs/dbraw/zinc/71/03/08/946710308.db2.gz QKGQXVSZVRQAES-WFASDCNBSA-N -1 3 381.440 0.917 20 30 GCEDHM C#CCCCCC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573284186 946737553 /nfs/dbraw/zinc/73/75/53/946737553.db2.gz UURJESBCYFLOLZ-GOSISDBHSA-N -1 3 385.428 0.082 20 30 GCEDHM C#CCCCCC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573284186 946737562 /nfs/dbraw/zinc/73/75/62/946737562.db2.gz UURJESBCYFLOLZ-GOSISDBHSA-N -1 3 385.428 0.082 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573285546 946780292 /nfs/dbraw/zinc/78/02/92/946780292.db2.gz IRZOWONRPMJPQG-AUUYWEPGSA-N -1 3 381.440 0.729 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573285546 946780297 /nfs/dbraw/zinc/78/02/97/946780297.db2.gz IRZOWONRPMJPQG-AUUYWEPGSA-N -1 3 381.440 0.729 20 30 GCEDHM C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573285676 946785799 /nfs/dbraw/zinc/78/57/99/946785799.db2.gz KXYUILODUFCHSX-OCCSQVGLSA-N -1 3 385.428 0.296 20 30 GCEDHM C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573285676 946785804 /nfs/dbraw/zinc/78/58/04/946785804.db2.gz KXYUILODUFCHSX-OCCSQVGLSA-N -1 3 385.428 0.296 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573285675 946785941 /nfs/dbraw/zinc/78/59/41/946785941.db2.gz KXYUILODUFCHSX-JSGCOSHPSA-N -1 3 385.428 0.296 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573285675 946785944 /nfs/dbraw/zinc/78/59/44/946785944.db2.gz KXYUILODUFCHSX-JSGCOSHPSA-N -1 3 385.428 0.296 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573286140 946796615 /nfs/dbraw/zinc/79/66/15/946796615.db2.gz USBNPFHVHAGFDV-ACJLOTCBSA-N -1 3 385.428 0.065 20 30 GCEDHM C#CCO[C@H](C)C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573286140 946796623 /nfs/dbraw/zinc/79/66/23/946796623.db2.gz USBNPFHVHAGFDV-ACJLOTCBSA-N -1 3 385.428 0.065 20 30 GCEDHM C#CCOCCC(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001573286669 946814215 /nfs/dbraw/zinc/81/42/15/946814215.db2.gz HFGVMCHVVMDDQM-QFBILLFUSA-N -1 3 381.440 0.919 20 30 GCEDHM C#CCOCCC(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001573286669 946814218 /nfs/dbraw/zinc/81/42/18/946814218.db2.gz HFGVMCHVVMDDQM-QFBILLFUSA-N -1 3 381.440 0.919 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1C ZINC001573286735 946816672 /nfs/dbraw/zinc/81/66/72/946816672.db2.gz HYOVJNVBVPOPPP-VHDGCEQUSA-N -1 3 383.456 0.797 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1C ZINC001573286735 946816686 /nfs/dbraw/zinc/81/66/86/946816686.db2.gz HYOVJNVBVPOPPP-VHDGCEQUSA-N -1 3 383.456 0.797 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC001573286975 946824490 /nfs/dbraw/zinc/82/44/90/946824490.db2.gz JPUXFOJIUAPTSV-GOEBONIOSA-N -1 3 384.440 0.222 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC001573286975 946824498 /nfs/dbraw/zinc/82/44/98/946824498.db2.gz JPUXFOJIUAPTSV-GOEBONIOSA-N -1 3 384.440 0.222 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CCO2)nc1 ZINC001573287061 946826355 /nfs/dbraw/zinc/82/63/55/946826355.db2.gz DNHHYPHSDRSOKF-HNNXBMFYSA-N -1 3 390.407 0.273 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CCO2)nc1 ZINC001573287061 946826365 /nfs/dbraw/zinc/82/63/65/946826365.db2.gz DNHHYPHSDRSOKF-HNNXBMFYSA-N -1 3 390.407 0.273 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)C[C@@H](O)CN(C)c2ncccc2-c2nnn[n-]2)cc1 ZINC001573287212 946830969 /nfs/dbraw/zinc/83/09/69/946830969.db2.gz AHFRIPRFQRHIJR-INIZCTEOSA-N -1 3 391.435 0.812 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)C[C@@H](O)CN(C)c2ncccc2-c2nn[n-]n2)cc1 ZINC001573287212 946830988 /nfs/dbraw/zinc/83/09/88/946830988.db2.gz AHFRIPRFQRHIJR-INIZCTEOSA-N -1 3 391.435 0.812 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)C[C@@H](O)CNc2ncccc2-c2nnn[n-]2)cn1 ZINC001573287404 946834471 /nfs/dbraw/zinc/83/44/71/946834471.db2.gz BVARTHHMCKVMGF-AWEZNQCLSA-N -1 3 378.396 0.183 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)C[C@@H](O)CNc2ncccc2-c2nn[n-]n2)cn1 ZINC001573287404 946834481 /nfs/dbraw/zinc/83/44/81/946834481.db2.gz BVARTHHMCKVMGF-AWEZNQCLSA-N -1 3 378.396 0.183 20 30 GCEDHM C#CCO[C@H](C)C(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573287621 946844352 /nfs/dbraw/zinc/84/43/52/946844352.db2.gz OERGOVXLXZRLMR-ZYHUDNBSSA-N -1 3 375.820 0.648 20 30 GCEDHM C#CCO[C@H](C)C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573287621 946844361 /nfs/dbraw/zinc/84/43/61/946844361.db2.gz OERGOVXLXZRLMR-ZYHUDNBSSA-N -1 3 375.820 0.648 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NCC1=CCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573287887 946850449 /nfs/dbraw/zinc/85/04/49/946850449.db2.gz PYRAHNIIYUSNHK-AWEZNQCLSA-N -1 3 381.440 0.861 20 30 GCEDHM C#CCO[C@@H](C)C(=O)NCC1=CCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573287887 946850456 /nfs/dbraw/zinc/85/04/56/946850456.db2.gz PYRAHNIIYUSNHK-AWEZNQCLSA-N -1 3 381.440 0.861 20 30 GCEDHM C#Cc1ccc(C(=O)NCC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001573288177 946857928 /nfs/dbraw/zinc/85/79/28/946857928.db2.gz POVKHGUATAYGGU-UHFFFAOYSA-N -1 3 376.380 0.073 20 30 GCEDHM C#Cc1ccc(C(=O)NCC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001573288177 946857943 /nfs/dbraw/zinc/85/79/43/946857943.db2.gz POVKHGUATAYGGU-UHFFFAOYSA-N -1 3 376.380 0.073 20 30 GCEDHM C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573288185 946862092 /nfs/dbraw/zinc/86/20/92/946862092.db2.gz SGXZMIQVCRNTLT-TZMCWYRMSA-N -1 3 387.419 0.914 20 30 GCEDHM C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573288185 946862105 /nfs/dbraw/zinc/86/21/05/946862105.db2.gz SGXZMIQVCRNTLT-TZMCWYRMSA-N -1 3 387.419 0.914 20 30 GCEDHM C#CCOCCC(=O)N(C)C1CN(Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001573288504 946866600 /nfs/dbraw/zinc/86/66/00/946866600.db2.gz UYAOIKKRHVRUSK-UHFFFAOYSA-N -1 3 384.440 0.558 20 30 GCEDHM C#CCOCCC(=O)N(C)C1CN(Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001573288504 946866609 /nfs/dbraw/zinc/86/66/09/946866609.db2.gz UYAOIKKRHVRUSK-UHFFFAOYSA-N -1 3 384.440 0.558 20 30 GCEDHM C#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC001573288608 946872289 /nfs/dbraw/zinc/87/22/89/946872289.db2.gz SDFSCRMBTIHKJS-OAHLLOKOSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC001573288608 946872299 /nfs/dbraw/zinc/87/22/99/946872299.db2.gz SDFSCRMBTIHKJS-OAHLLOKOSA-N -1 3 390.407 0.606 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21 ZINC001573288658 946874127 /nfs/dbraw/zinc/87/41/27/946874127.db2.gz XGHDUQLDNBBZFV-SWLSCSKDSA-N -1 3 385.403 0.478 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21 ZINC001573288658 946874134 /nfs/dbraw/zinc/87/41/34/946874134.db2.gz XGHDUQLDNBBZFV-SWLSCSKDSA-N -1 3 385.403 0.478 20 30 GCEDHM C#CCOCCC(=O)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)cn1)CC2 ZINC001573288851 946879935 /nfs/dbraw/zinc/87/99/35/946879935.db2.gz YVYKQDPBYJNIJJ-OAHLLOKOSA-N -1 3 381.440 0.777 20 30 GCEDHM C#CCOCCC(=O)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)cn1)CC2 ZINC001573288851 946879949 /nfs/dbraw/zinc/87/99/49/946879949.db2.gz YVYKQDPBYJNIJJ-OAHLLOKOSA-N -1 3 381.440 0.777 20 30 GCEDHM C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573289658 946888713 /nfs/dbraw/zinc/88/87/13/946888713.db2.gz APZNHLDEKGUXSY-INIZCTEOSA-N -1 3 389.419 0.750 20 30 GCEDHM C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573289658 946888722 /nfs/dbraw/zinc/88/87/22/946888722.db2.gz APZNHLDEKGUXSY-INIZCTEOSA-N -1 3 389.419 0.750 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H]2CN(c3nc(C)ccc3-c3nnn[n-]3)C[C@H]2O)cc1 ZINC001573289790 946892181 /nfs/dbraw/zinc/89/21/81/946892181.db2.gz CZLGTLNDZSCGGE-IAGOWNOFSA-N -1 3 389.419 0.531 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H]2CN(c3nc(C)ccc3-c3nn[n-]n3)C[C@H]2O)cc1 ZINC001573289790 946892189 /nfs/dbraw/zinc/89/21/89/946892189.db2.gz CZLGTLNDZSCGGE-IAGOWNOFSA-N -1 3 389.419 0.531 20 30 GCEDHM C#Cc1ccccc1CC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573289725 946892246 /nfs/dbraw/zinc/89/22/46/946892246.db2.gz CEKLMJVMLYDAQN-MRXNPFEDSA-N -1 3 377.408 0.375 20 30 GCEDHM C#Cc1ccccc1CC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573289725 946892258 /nfs/dbraw/zinc/89/22/58/946892258.db2.gz CEKLMJVMLYDAQN-MRXNPFEDSA-N -1 3 377.408 0.375 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)CCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)nc1 ZINC001573289721 946893394 /nfs/dbraw/zinc/89/33/94/946893394.db2.gz PLYQKBJFNUDNAZ-UHFFFAOYSA-N -1 3 378.396 0.415 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)CCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)nc1 ZINC001573289721 946893406 /nfs/dbraw/zinc/89/34/06/946893406.db2.gz PLYQKBJFNUDNAZ-UHFFFAOYSA-N -1 3 378.396 0.415 20 30 GCEDHM C#Cc1ccccc1CC(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573290234 946900484 /nfs/dbraw/zinc/90/04/84/946900484.db2.gz HOMRCBZFLWQUDA-GFCCVEGCSA-N -1 3 377.408 0.653 20 30 GCEDHM C#Cc1ccccc1CC(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573290234 946900490 /nfs/dbraw/zinc/90/04/90/946900490.db2.gz HOMRCBZFLWQUDA-GFCCVEGCSA-N -1 3 377.408 0.653 20 30 GCEDHM C#Cc1cncc(C(=O)NCCC[C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001573291438 946919508 /nfs/dbraw/zinc/91/95/08/946919508.db2.gz CRPGRLDXNNMWKA-GFCCVEGCSA-N -1 3 392.423 0.900 20 30 GCEDHM C#Cc1cncc(C(=O)NCCC[C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001573291438 946919522 /nfs/dbraw/zinc/91/95/22/946919522.db2.gz CRPGRLDXNNMWKA-GFCCVEGCSA-N -1 3 392.423 0.900 20 30 GCEDHM C#Cc1cncc(C(=O)NCCOCCCNc2ncccc2-c2nnn[n-]2)c1 ZINC001573291641 946922754 /nfs/dbraw/zinc/92/27/54/946922754.db2.gz GUZICXIIQLJFPV-UHFFFAOYSA-N -1 3 392.423 0.887 20 30 GCEDHM C#Cc1cncc(C(=O)NCCOCCCNc2ncccc2-c2nn[n-]n2)c1 ZINC001573291641 946922759 /nfs/dbraw/zinc/92/27/59/946922759.db2.gz GUZICXIIQLJFPV-UHFFFAOYSA-N -1 3 392.423 0.887 20 30 GCEDHM C#Cc1cncc(C(=O)NCC2(O)CN(Cc3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC001573292358 946934498 /nfs/dbraw/zinc/93/44/98/946934498.db2.gz UKOREWJVNLTKMR-UHFFFAOYSA-N -1 3 389.419 0.220 20 30 GCEDHM C#Cc1cncc(C(=O)NCC2(O)CN(Cc3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC001573292358 946934504 /nfs/dbraw/zinc/93/45/04/946934504.db2.gz UKOREWJVNLTKMR-UHFFFAOYSA-N -1 3 389.419 0.220 20 30 GCEDHM C#Cc1cncc(C(=O)NC[C@H]2CCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001573292651 946938226 /nfs/dbraw/zinc/93/82/26/946938226.db2.gz ZDTFGUVNXDXQFP-OAHLLOKOSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1cncc(C(=O)NC[C@H]2CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001573292651 946938231 /nfs/dbraw/zinc/93/82/31/946938231.db2.gz ZDTFGUVNXDXQFP-OAHLLOKOSA-N -1 3 390.407 0.606 20 30 GCEDHM C=C(C)[C@@H](CC(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)OCC ZINC001573293278 946953471 /nfs/dbraw/zinc/95/34/71/946953471.db2.gz QOPQHJQRNJWAGK-OAHLLOKOSA-N -1 3 387.444 0.849 20 30 GCEDHM C=C(C)[C@@H](CC(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)OCC ZINC001573293278 946953485 /nfs/dbraw/zinc/95/34/85/946953485.db2.gz QOPQHJQRNJWAGK-OAHLLOKOSA-N -1 3 387.444 0.849 20 30 GCEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001573293471 946957984 /nfs/dbraw/zinc/95/79/84/946957984.db2.gz XKGBRPSEVLEOGT-BXUZGUMPSA-N -1 3 387.444 0.489 20 30 GCEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001573293471 946957990 /nfs/dbraw/zinc/95/79/90/946957990.db2.gz XKGBRPSEVLEOGT-BXUZGUMPSA-N -1 3 387.444 0.489 20 30 GCEDHM C=C(C)CCC(=O)NC[C@]1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001573294041 946975955 /nfs/dbraw/zinc/97/59/55/946975955.db2.gz SAGNZSLBSOZVSP-GOSISDBHSA-N -1 3 387.444 0.898 20 30 GCEDHM C=C(C)CCC(=O)NC[C@]1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001573294041 946975959 /nfs/dbraw/zinc/97/59/59/946975959.db2.gz SAGNZSLBSOZVSP-GOSISDBHSA-N -1 3 387.444 0.898 20 30 GCEDHM C=C(C)Cn1c(C)nnc1N1CCN(c2c(-c3nnn[n-]3)c(C)nn2C)CC1 ZINC001573294394 946988410 /nfs/dbraw/zinc/98/84/10/946988410.db2.gz DUMNYBXPLUIXMD-UHFFFAOYSA-N -1 3 383.464 0.711 20 30 GCEDHM C=C(C)Cn1c(C)nnc1N1CCN(c2c(-c3nn[n-]n3)c(C)nn2C)CC1 ZINC001573294394 946988416 /nfs/dbraw/zinc/98/84/16/946988416.db2.gz DUMNYBXPLUIXMD-UHFFFAOYSA-N -1 3 383.464 0.711 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573564481 946994339 /nfs/dbraw/zinc/99/43/39/946994339.db2.gz JDQJBVDNSRQEIH-KPZWWZAWSA-N -1 3 382.428 0.809 20 30 GCEDHM C=C(Cl)CN1CC(N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001573295270 947011608 /nfs/dbraw/zinc/01/16/08/947011608.db2.gz NHLKPEHLIZFYCE-UHFFFAOYSA-N -1 3 376.852 0.389 20 30 GCEDHM C=C(Cl)CN1CC(N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001573295270 947011616 /nfs/dbraw/zinc/01/16/16/947011616.db2.gz NHLKPEHLIZFYCE-UHFFFAOYSA-N -1 3 376.852 0.389 20 30 GCEDHM C=C(Cl)C[C@@H](NC(=O)CNc1ccc(-c2nnn[n-]2)cn1)C(=O)OCC ZINC001573295294 947014796 /nfs/dbraw/zinc/01/47/96/947014796.db2.gz NYKKKLRAYNFHSQ-LLVKDONJSA-N -1 3 379.808 0.864 20 30 GCEDHM C=C(Cl)C[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cn1)C(=O)OCC ZINC001573295294 947014804 /nfs/dbraw/zinc/01/48/04/947014804.db2.gz NYKKKLRAYNFHSQ-LLVKDONJSA-N -1 3 379.808 0.864 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001573565838 947015097 /nfs/dbraw/zinc/01/50/97/947015097.db2.gz WOXFBZQFGOHWNH-SGTLLEGYSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001573565838 947015106 /nfs/dbraw/zinc/01/51/06/947015106.db2.gz WOXFBZQFGOHWNH-SGTLLEGYSA-N -1 3 382.428 0.809 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573295975 947034390 /nfs/dbraw/zinc/03/43/90/947034390.db2.gz XGFCIRJKGMRMGT-JSGCOSHPSA-N -1 3 385.428 0.555 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573295975 947034406 /nfs/dbraw/zinc/03/44/06/947034406.db2.gz XGFCIRJKGMRMGT-JSGCOSHPSA-N -1 3 385.428 0.555 20 30 GCEDHM C=C(Cl)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573296130 947039963 /nfs/dbraw/zinc/03/99/63/947039963.db2.gz YSHBTTPHMAZOTM-VIFPVBQESA-N -1 3 381.824 0.180 20 30 GCEDHM C=C(Cl)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573296130 947039970 /nfs/dbraw/zinc/03/99/70/947039970.db2.gz YSHBTTPHMAZOTM-VIFPVBQESA-N -1 3 381.824 0.180 20 30 GCEDHM C=C(Cl)CN1CC(N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)C1 ZINC001573296120 947041359 /nfs/dbraw/zinc/04/13/59/947041359.db2.gz ZMDKILBOSXXUKR-UHFFFAOYSA-N -1 3 376.852 0.389 20 30 GCEDHM C=C(Cl)CN1CC(N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1 ZINC001573296120 947041369 /nfs/dbraw/zinc/04/13/69/947041369.db2.gz ZMDKILBOSXXUKR-UHFFFAOYSA-N -1 3 376.852 0.389 20 30 GCEDHM C=C1CCC(C(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001573296751 947055220 /nfs/dbraw/zinc/05/52/20/947055220.db2.gz ZRXDIXFSFVIWPC-UHFFFAOYSA-N -1 3 385.428 0.244 20 30 GCEDHM C=C1CCC(C(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001573296751 947055233 /nfs/dbraw/zinc/05/52/33/947055233.db2.gz ZRXDIXFSFVIWPC-UHFFFAOYSA-N -1 3 385.428 0.244 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC[C@@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001573567898 947060173 /nfs/dbraw/zinc/06/01/73/947060173.db2.gz UPAVLHRIDLTKLB-KPZWWZAWSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCC[C@@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001573567898 947060183 /nfs/dbraw/zinc/06/01/83/947060183.db2.gz UPAVLHRIDLTKLB-KPZWWZAWSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001573567892 947060709 /nfs/dbraw/zinc/06/07/09/947060709.db2.gz UNLZRPJGRFAAPG-GFCCVEGCSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCOC2(CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC001573570045 947080481 /nfs/dbraw/zinc/08/04/81/947080481.db2.gz IWJZJOADLKNUGU-ZDUSSCGKSA-N -1 3 382.428 0.619 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCOC2(CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC001573570045 947080491 /nfs/dbraw/zinc/08/04/91/947080491.db2.gz IWJZJOADLKNUGU-ZDUSSCGKSA-N -1 3 382.428 0.619 20 30 GCEDHM C[C@@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573570057 947081403 /nfs/dbraw/zinc/08/14/03/947081403.db2.gz JDJGSBNYDQYQDC-TUKIKUTGSA-N -1 3 392.427 0.561 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCOC2(CN(Cc3cc(F)ccc3-c3nn[n-]n3)C2)C1 ZINC001573570815 947095259 /nfs/dbraw/zinc/09/52/59/947095259.db2.gz UKSTYMUOHJNJOB-LBPRGKRZSA-N -1 3 385.403 0.579 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccccc1 ZINC001573572005 947107007 /nfs/dbraw/zinc/10/70/07/947107007.db2.gz CTFDXVHDLVQJSI-XHDPSFHLSA-N -1 3 378.396 0.942 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccccc1 ZINC001573572005 947107017 /nfs/dbraw/zinc/10/70/17/947107017.db2.gz CTFDXVHDLVQJSI-XHDPSFHLSA-N -1 3 378.396 0.942 20 30 GCEDHM C=C(C)CCC(=O)N1CCO[C@@](C)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573300469 947113310 /nfs/dbraw/zinc/11/33/10/947113310.db2.gz QOZDYALMKJPSPD-SFHVURJKSA-N -1 3 387.444 0.898 20 30 GCEDHM C=C(C)CCC(=O)N1CCO[C@@](C)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573300469 947113317 /nfs/dbraw/zinc/11/33/17/947113317.db2.gz QOZDYALMKJPSPD-SFHVURJKSA-N -1 3 387.444 0.898 20 30 GCEDHM C[C@@H](C#N)C(=O)NC1(C2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CC1 ZINC001573572455 947113412 /nfs/dbraw/zinc/11/34/12/947113412.db2.gz IAHUBQYMNSAUAE-NSHDSACASA-N -1 3 382.428 0.855 20 30 GCEDHM C[C@@H](C#N)C(=O)NC1(C2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CC1 ZINC001573572455 947113420 /nfs/dbraw/zinc/11/34/20/947113420.db2.gz IAHUBQYMNSAUAE-NSHDSACASA-N -1 3 382.428 0.855 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573573116 947119074 /nfs/dbraw/zinc/11/90/74/947119074.db2.gz MPJJWPABMYUYOE-ZBEGNZNMSA-N -1 3 375.458 0.531 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573573424 947122480 /nfs/dbraw/zinc/12/24/80/947122480.db2.gz NFZVKLZXFUZMPG-XIKOKIGWSA-N -1 3 387.419 0.609 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573573424 947122485 /nfs/dbraw/zinc/12/24/85/947122485.db2.gz NFZVKLZXFUZMPG-XIKOKIGWSA-N -1 3 387.419 0.609 20 30 GCEDHM C=CC(C)(C)C(=O)N[C@H](C)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001573301283 947135264 /nfs/dbraw/zinc/13/52/64/947135264.db2.gz WOLCJSDUTMUVBM-BXUZGUMPSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CC(C)(C)C(=O)N[C@H](C)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001573301283 947135267 /nfs/dbraw/zinc/13/52/67/947135267.db2.gz WOLCJSDUTMUVBM-BXUZGUMPSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573301282 947135572 /nfs/dbraw/zinc/13/55/72/947135572.db2.gz WNZFIWKJJKXGCQ-NSHDSACASA-N -1 3 375.433 0.298 20 30 GCEDHM C=CC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573301282 947135578 /nfs/dbraw/zinc/13/55/78/947135578.db2.gz WNZFIWKJJKXGCQ-NSHDSACASA-N -1 3 375.433 0.298 20 30 GCEDHM C=CC(C)(C)CC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573304675 947141161 /nfs/dbraw/zinc/14/11/61/947141161.db2.gz FGXSUNWAMDNQFX-SFHVURJKSA-N -1 3 387.444 0.490 20 30 GCEDHM C=CC(C)(C)CC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573304675 947141175 /nfs/dbraw/zinc/14/11/75/947141175.db2.gz FGXSUNWAMDNQFX-SFHVURJKSA-N -1 3 387.444 0.490 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573575788 947143491 /nfs/dbraw/zinc/14/34/91/947143491.db2.gz ZYIFOYRRDHKWFM-MGPLVRAMSA-N -1 3 390.835 0.522 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573575788 947143498 /nfs/dbraw/zinc/14/34/98/947143498.db2.gz ZYIFOYRRDHKWFM-MGPLVRAMSA-N -1 3 390.835 0.522 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@]1(C)CN(Cc2cc(F)ccc2-c2nn[n-]n2)CCO1 ZINC001573576213 947149928 /nfs/dbraw/zinc/14/99/28/947149928.db2.gz FESLZMDOAHJMMP-KZULUSFZSA-N -1 3 387.419 0.873 20 30 GCEDHM C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001573305200 947152878 /nfs/dbraw/zinc/15/28/78/947152878.db2.gz BORCYCMQDPZBMG-FZKQIMNGSA-N -1 3 387.444 0.754 20 30 GCEDHM C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001573305200 947152882 /nfs/dbraw/zinc/15/28/82/947152882.db2.gz BORCYCMQDPZBMG-FZKQIMNGSA-N -1 3 387.444 0.754 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573576598 947153610 /nfs/dbraw/zinc/15/36/10/947153610.db2.gz HYJHAKIBLCXXFY-ABAIWWIYSA-N -1 3 378.396 0.942 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@]1(C)CN(c2ncc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC001573577087 947159426 /nfs/dbraw/zinc/15/94/26/947159426.db2.gz LYHGZPLLJIEUTG-QLJPJBMISA-N -1 3 390.835 0.786 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@]1(C)CN(c2ncc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC001573577087 947159433 /nfs/dbraw/zinc/15/94/33/947159433.db2.gz LYHGZPLLJIEUTG-QLJPJBMISA-N -1 3 390.835 0.786 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573577199 947164678 /nfs/dbraw/zinc/16/46/78/947164678.db2.gz NFEXZJXGWPCNHS-VFZGTOFNSA-N -1 3 376.808 0.132 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573577199 947164681 /nfs/dbraw/zinc/16/46/81/947164681.db2.gz NFEXZJXGWPCNHS-VFZGTOFNSA-N -1 3 376.808 0.132 20 30 GCEDHM C=CC(C)(C)CC(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573306100 947165668 /nfs/dbraw/zinc/16/56/68/947165668.db2.gz XJDZMHRYTYHPMX-CYBMUJFWSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CC(C)(C)CC(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573306100 947165674 /nfs/dbraw/zinc/16/56/74/947165674.db2.gz XJDZMHRYTYHPMX-CYBMUJFWSA-N -1 3 387.444 0.754 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@]1(C)CN(Cc2cc(-c3nn[n-]n3)ccc2F)CCO1 ZINC001573577484 947167492 /nfs/dbraw/zinc/16/74/92/947167492.db2.gz QHNWDOZVRAVOAZ-KPZWWZAWSA-N -1 3 387.419 0.873 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H]1CCC2(CN(Cc3ccccc3-c3nn[n-]n3)C2)O1 ZINC001573577446 947168524 /nfs/dbraw/zinc/16/85/24/947168524.db2.gz POHQKSPYYCKXKJ-UKRRQHHQSA-N -1 3 381.440 0.876 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@H]1COC2(CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001573577954 947178289 /nfs/dbraw/zinc/17/82/89/947178289.db2.gz WGTAKYQQKTXQND-AAEUAGOBSA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@H]1COC2(CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC001573577954 947178296 /nfs/dbraw/zinc/17/82/96/947178296.db2.gz WGTAKYQQKTXQND-AAEUAGOBSA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@H]1COC2(CN(Cc3cc(F)ccc3-c3nn[n-]n3)C2)C1 ZINC001573578071 947180227 /nfs/dbraw/zinc/18/02/27/947180227.db2.gz XTUOXBOKGGTEGT-SMDDNHRTSA-N -1 3 385.403 0.625 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001573308965 947186660 /nfs/dbraw/zinc/18/66/60/947186660.db2.gz AHHHKPJGWBCWLG-KRWDZBQOSA-N -1 3 385.428 0.196 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573308965 947186668 /nfs/dbraw/zinc/18/66/68/947186668.db2.gz AHHHKPJGWBCWLG-KRWDZBQOSA-N -1 3 385.428 0.196 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CC[C@@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573309015 947189339 /nfs/dbraw/zinc/18/93/39/947189339.db2.gz BDJDJGVOFZDRLG-ROUUACIJSA-N -1 3 387.444 0.490 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1CC[C@@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573309015 947189346 /nfs/dbraw/zinc/18/93/46/947189346.db2.gz BDJDJGVOFZDRLG-ROUUACIJSA-N -1 3 387.444 0.490 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC[C@@H]2C1 ZINC001573309265 947194383 /nfs/dbraw/zinc/19/43/83/947194383.db2.gz GECJALUZEYNWFK-NQCMUKECSA-N -1 3 399.455 0.442 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC[C@@H]2C1 ZINC001573309265 947194391 /nfs/dbraw/zinc/19/43/91/947194391.db2.gz GECJALUZEYNWFK-NQCMUKECSA-N -1 3 399.455 0.442 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N(CCO)CCNc1snc(C)c1-c1nnn[n-]1 ZINC001573309420 947198070 /nfs/dbraw/zinc/19/80/70/947198070.db2.gz IQXALYPRWAJECW-OAHLLOKOSA-N -1 3 381.462 0.192 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CC(C)C ZINC001573309448 947200695 /nfs/dbraw/zinc/20/06/95/947200695.db2.gz JAIDMUGBHXIZNH-XIKOKIGWSA-N -1 3 389.460 0.783 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CC(C)C ZINC001573309448 947200705 /nfs/dbraw/zinc/20/07/05/947200705.db2.gz JAIDMUGBHXIZNH-XIKOKIGWSA-N -1 3 389.460 0.783 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1(F)F ZINC001573583138 947200839 /nfs/dbraw/zinc/20/08/39/947200839.db2.gz KBVVFKUZCXDISG-ZJUUUORDSA-N -1 3 392.370 0.568 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1(F)F ZINC001573583138 947200850 /nfs/dbraw/zinc/20/08/50/947200850.db2.gz KBVVFKUZCXDISG-ZJUUUORDSA-N -1 3 392.370 0.568 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573583325 947203811 /nfs/dbraw/zinc/20/38/11/947203811.db2.gz KWVWIEISPYEUSW-RVMXOQNASA-N -1 3 382.428 0.854 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573583325 947203817 /nfs/dbraw/zinc/20/38/17/947203817.db2.gz KWVWIEISPYEUSW-RVMXOQNASA-N -1 3 382.428 0.854 20 30 GCEDHM C[C@H](C#N)C(=O)NCCc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC001573583775 947208113 /nfs/dbraw/zinc/20/81/13/947208113.db2.gz ONYUCBCHBURDQA-GFCCVEGCSA-N -1 3 392.423 0.943 20 30 GCEDHM C[C@H](C#N)C(=O)NCCc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC001573583775 947208119 /nfs/dbraw/zinc/20/81/19/947208119.db2.gz ONYUCBCHBURDQA-GFCCVEGCSA-N -1 3 392.423 0.943 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N(CC)[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573310064 947215695 /nfs/dbraw/zinc/21/56/95/947215695.db2.gz SBPFDSOBBZVZJN-PIGZYNQJSA-N -1 3 375.433 0.489 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N(CC)[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573310064 947215702 /nfs/dbraw/zinc/21/57/02/947215702.db2.gz SBPFDSOBBZVZJN-PIGZYNQJSA-N -1 3 375.433 0.489 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N(C)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573310258 947220708 /nfs/dbraw/zinc/22/07/08/947220708.db2.gz VTLVGJBRLBQDDQ-PXAZEXFGSA-N -1 3 375.408 0.765 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N(C)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573310258 947220715 /nfs/dbraw/zinc/22/07/15/947220715.db2.gz VTLVGJBRLBQDDQ-PXAZEXFGSA-N -1 3 375.408 0.765 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001573585492 947257850 /nfs/dbraw/zinc/25/78/50/947257850.db2.gz QGCKZOXFHLKCEC-SOZUMNATSA-N -1 3 382.428 0.713 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573585492 947257861 /nfs/dbraw/zinc/25/78/61/947257861.db2.gz QGCKZOXFHLKCEC-SOZUMNATSA-N -1 3 382.428 0.713 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573585528 947260005 /nfs/dbraw/zinc/26/00/05/947260005.db2.gz RQXQTWWKNFUPAI-YNKQFZHNSA-N -1 3 382.428 0.713 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CC2 ZINC001573585521 947260869 /nfs/dbraw/zinc/26/08/69/947260869.db2.gz ROHWGIMSLYAXSI-UCMVZMLTSA-N -1 3 382.428 0.855 20 30 GCEDHM C=C[C@@H](CC)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573316293 947272948 /nfs/dbraw/zinc/27/29/48/947272948.db2.gz VFXLZSAEDNRHDZ-GXTWGEPZSA-N -1 3 389.460 0.688 20 30 GCEDHM C=C[C@@H](CC)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573316293 947272957 /nfs/dbraw/zinc/27/29/57/947272957.db2.gz VFXLZSAEDNRHDZ-GXTWGEPZSA-N -1 3 389.460 0.688 20 30 GCEDHM C=CCC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573319843 947334100 /nfs/dbraw/zinc/33/41/00/947334100.db2.gz SCMPXCUGNXSGON-GOSISDBHSA-N -1 3 387.444 0.490 20 30 GCEDHM C=CCC(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573319843 947334111 /nfs/dbraw/zinc/33/41/11/947334111.db2.gz SCMPXCUGNXSGON-GOSISDBHSA-N -1 3 387.444 0.490 20 30 GCEDHM C=CCC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573319846 947336539 /nfs/dbraw/zinc/33/65/39/947336539.db2.gz SCMPXCUGNXSGON-SFHVURJKSA-N -1 3 387.444 0.490 20 30 GCEDHM C=CCC(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573319846 947336553 /nfs/dbraw/zinc/33/65/53/947336553.db2.gz SCMPXCUGNXSGON-SFHVURJKSA-N -1 3 387.444 0.490 20 30 GCEDHM CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000825845759 947343757 /nfs/dbraw/zinc/34/37/57/947343757.db2.gz LZFASKWOERKXIY-CYBMUJFWSA-N -1 3 392.379 0.858 20 30 GCEDHM C=CCCC(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001573329725 947425475 /nfs/dbraw/zinc/42/54/75/947425475.db2.gz NTYLULKNSISJJO-CQSZACIVSA-N -1 3 383.460 0.346 20 30 GCEDHM C=CCCC1(C(=O)NC[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573334136 947447378 /nfs/dbraw/zinc/44/73/78/947447378.db2.gz KGSLGGVVNWCTPD-CYBMUJFWSA-N -1 3 387.444 0.490 20 30 GCEDHM C=CCCC1(C(=O)NC[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573334136 947447383 /nfs/dbraw/zinc/44/73/83/947447383.db2.gz KGSLGGVVNWCTPD-CYBMUJFWSA-N -1 3 387.444 0.490 20 30 GCEDHM C=CCCOCC(=O)N[C@H]1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573335850 947490007 /nfs/dbraw/zinc/49/00/07/947490007.db2.gz FNLBKAOATABIFE-KBPBESRZSA-N -1 3 387.444 0.945 20 30 GCEDHM C=CCCOCC(=O)N[C@H]1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573335850 947490021 /nfs/dbraw/zinc/49/00/21/947490021.db2.gz FNLBKAOATABIFE-KBPBESRZSA-N -1 3 387.444 0.945 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573335810 947490277 /nfs/dbraw/zinc/49/02/77/947490277.db2.gz DRXCGMAQOLRGKZ-YRGRVCCFSA-N -1 3 387.444 0.801 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573335810 947490285 /nfs/dbraw/zinc/49/02/85/947490285.db2.gz DRXCGMAQOLRGKZ-YRGRVCCFSA-N -1 3 387.444 0.801 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573335808 947490753 /nfs/dbraw/zinc/49/07/53/947490753.db2.gz DRXCGMAQOLRGKZ-SGMGOOAPSA-N -1 3 387.444 0.801 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573335808 947490758 /nfs/dbraw/zinc/49/07/58/947490758.db2.gz DRXCGMAQOLRGKZ-SGMGOOAPSA-N -1 3 387.444 0.801 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573335806 947490876 /nfs/dbraw/zinc/49/08/76/947490876.db2.gz DRXCGMAQOLRGKZ-OBJOEFQTSA-N -1 3 387.444 0.801 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573335806 947490881 /nfs/dbraw/zinc/49/08/81/947490881.db2.gz DRXCGMAQOLRGKZ-OBJOEFQTSA-N -1 3 387.444 0.801 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573336116 947500417 /nfs/dbraw/zinc/50/04/17/947500417.db2.gz IVCWIIXXZWRTRW-OCCSQVGLSA-N -1 3 387.444 0.849 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573336116 947500426 /nfs/dbraw/zinc/50/04/26/947500426.db2.gz IVCWIIXXZWRTRW-OCCSQVGLSA-N -1 3 387.444 0.849 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573336117 947500670 /nfs/dbraw/zinc/50/06/70/947500670.db2.gz IVCWIIXXZWRTRW-TZMCWYRMSA-N -1 3 387.444 0.849 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573336117 947500676 /nfs/dbraw/zinc/50/06/76/947500676.db2.gz IVCWIIXXZWRTRW-TZMCWYRMSA-N -1 3 387.444 0.849 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573336115 947501374 /nfs/dbraw/zinc/50/13/74/947501374.db2.gz IVCWIIXXZWRTRW-JSGCOSHPSA-N -1 3 387.444 0.849 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573336115 947501381 /nfs/dbraw/zinc/50/13/81/947501381.db2.gz IVCWIIXXZWRTRW-JSGCOSHPSA-N -1 3 387.444 0.849 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)NC[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573336199 947504583 /nfs/dbraw/zinc/50/45/83/947504583.db2.gz LAUCKIPJDPSXKK-GXTWGEPZSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)NC[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573336199 947504594 /nfs/dbraw/zinc/50/45/94/947504594.db2.gz LAUCKIPJDPSXKK-GXTWGEPZSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCOCC(=O)N[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@H]1O ZINC001573337122 947513155 /nfs/dbraw/zinc/51/31/55/947513155.db2.gz VAMZDTWSWYMEGD-HZPDHXFCSA-N -1 3 390.419 0.260 20 30 GCEDHM C=CCCOCC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@]2(C)C1 ZINC001573337342 947516151 /nfs/dbraw/zinc/51/61/51/947516151.db2.gz WBZVJQZCWIMSEH-KUHUBIRLSA-N -1 3 399.455 0.708 20 30 GCEDHM C=CCCOCC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@]2(C)C1 ZINC001573337342 947516161 /nfs/dbraw/zinc/51/61/61/947516161.db2.gz WBZVJQZCWIMSEH-KUHUBIRLSA-N -1 3 399.455 0.708 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001573337597 947518698 /nfs/dbraw/zinc/51/86/98/947518698.db2.gz YYKDGFUQSHAJKV-WOSRLPQWSA-N -1 3 399.455 0.849 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001573337597 947518709 /nfs/dbraw/zinc/51/87/09/947518709.db2.gz YYKDGFUQSHAJKV-WOSRLPQWSA-N -1 3 399.455 0.849 20 30 GCEDHM C=CCN(CC=C)C(=O)CN1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573341283 947528810 /nfs/dbraw/zinc/52/88/10/947528810.db2.gz KLMCCDVQQOKXJH-UHFFFAOYSA-N -1 3 384.444 0.152 20 30 GCEDHM C=CCN(CC=C)C(=O)CN1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573341283 947528819 /nfs/dbraw/zinc/52/88/19/947528819.db2.gz KLMCCDVQQOKXJH-UHFFFAOYSA-N -1 3 384.444 0.152 20 30 GCEDHM C=CCOCC(=O)N[C@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573342823 947547868 /nfs/dbraw/zinc/54/78/68/947547868.db2.gz FJLVZYHBUOONOP-MQMHXKEQSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCOCC(=O)N[C@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573342823 947547876 /nfs/dbraw/zinc/54/78/76/947547876.db2.gz FJLVZYHBUOONOP-MQMHXKEQSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCOCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573343027 947550104 /nfs/dbraw/zinc/55/01/04/947550104.db2.gz ILHNNQPYDIRIHT-HUUCEWRRSA-N -1 3 385.428 0.603 20 30 GCEDHM C=CCOCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573343027 947550111 /nfs/dbraw/zinc/55/01/11/947550111.db2.gz ILHNNQPYDIRIHT-HUUCEWRRSA-N -1 3 385.428 0.603 20 30 GCEDHM C=CCOCC(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC[C@@H]21 ZINC001573343236 947554717 /nfs/dbraw/zinc/55/47/17/947554717.db2.gz LCPPQHQHCDTSRT-WFASDCNBSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCOCC(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC[C@@H]21 ZINC001573343236 947554728 /nfs/dbraw/zinc/55/47/28/947554728.db2.gz LCPPQHQHCDTSRT-WFASDCNBSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCOCC(=O)N1CCC[C@@H](CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573343859 947564938 /nfs/dbraw/zinc/56/49/38/947564938.db2.gz UIPWSMPYDOUWLR-ZDUSSCGKSA-N -1 3 387.444 0.708 20 30 GCEDHM C=CCOCC(=O)N1CCC[C@@H](CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573343859 947564944 /nfs/dbraw/zinc/56/49/44/947564944.db2.gz UIPWSMPYDOUWLR-ZDUSSCGKSA-N -1 3 387.444 0.708 20 30 GCEDHM C=CCOCC(=O)N1CCC2(C[C@H]2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573344203 947569939 /nfs/dbraw/zinc/56/99/39/947569939.db2.gz ZCKNIKZBYOOWRY-CQSZACIVSA-N -1 3 385.428 0.508 20 30 GCEDHM C=CCOCC(=O)N1CCC2(C[C@H]2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573344203 947569948 /nfs/dbraw/zinc/56/99/48/947569948.db2.gz ZCKNIKZBYOOWRY-CQSZACIVSA-N -1 3 385.428 0.508 20 30 GCEDHM C=CCOCCCC(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573347999 947579313 /nfs/dbraw/zinc/57/93/13/947579313.db2.gz LDSZQVGZGRHASR-ZDUSSCGKSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCOCCCC(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573347999 947579317 /nfs/dbraw/zinc/57/93/17/947579317.db2.gz LDSZQVGZGRHASR-ZDUSSCGKSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCn1cccc1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573350708 947600997 /nfs/dbraw/zinc/60/09/97/947600997.db2.gz JBQHVZPLNLCVEN-HAQNSBGRSA-N -1 3 380.412 0.873 20 30 GCEDHM C=CCn1cccc1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573350708 947600999 /nfs/dbraw/zinc/60/09/99/947600999.db2.gz JBQHVZPLNLCVEN-HAQNSBGRSA-N -1 3 380.412 0.873 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573350693 947601611 /nfs/dbraw/zinc/60/16/11/947601611.db2.gz IYZQDSIDYPILDR-FMKPAKJESA-N -1 3 399.455 0.897 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573350693 947601622 /nfs/dbraw/zinc/60/16/22/947601622.db2.gz IYZQDSIDYPILDR-FMKPAKJESA-N -1 3 399.455 0.897 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573350969 947606287 /nfs/dbraw/zinc/60/62/87/947606287.db2.gz MKAGOXLMQVLLHE-JMSVASOKSA-N -1 3 385.428 0.459 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573350969 947606294 /nfs/dbraw/zinc/60/62/94/947606294.db2.gz MKAGOXLMQVLLHE-JMSVASOKSA-N -1 3 385.428 0.459 20 30 GCEDHM C=CCn1cccc1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573351320 947613110 /nfs/dbraw/zinc/61/31/10/947613110.db2.gz QOPLERRLLJXYSK-GFCCVEGCSA-N -1 3 380.412 0.827 20 30 GCEDHM C=CCn1cccc1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573351320 947613120 /nfs/dbraw/zinc/61/31/20/947613120.db2.gz QOPLERRLLJXYSK-GFCCVEGCSA-N -1 3 380.412 0.827 20 30 GCEDHM N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826379249 948172522 /nfs/dbraw/zinc/17/25/22/948172522.db2.gz NEJRCBMXZRSKIF-LLVKDONJSA-N -1 3 379.336 0.927 20 30 GCEDHM N#Cc1ccc([C@H](O)C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cc1 ZINC000826384709 948185756 /nfs/dbraw/zinc/18/57/56/948185756.db2.gz GWUUZHZMJFZYSD-INIZCTEOSA-N -1 3 390.407 0.516 20 30 GCEDHM N#Cc1ccc([C@H](O)C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cc1 ZINC000826384709 948185758 /nfs/dbraw/zinc/18/57/58/948185758.db2.gz GWUUZHZMJFZYSD-INIZCTEOSA-N -1 3 390.407 0.516 20 30 GCEDHM N#Cc1nc(N)n(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)c1-c1nnn[n-]1 ZINC000826387787 948191661 /nfs/dbraw/zinc/19/16/61/948191661.db2.gz QTHAXSUSEAVCSF-UHFFFAOYSA-N -1 3 385.754 0.939 20 30 GCEDHM N#Cc1nc(N)n(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)c1-c1nn[n-]n1 ZINC000826387787 948191665 /nfs/dbraw/zinc/19/16/65/948191665.db2.gz QTHAXSUSEAVCSF-UHFFFAOYSA-N -1 3 385.754 0.939 20 30 GCEDHM N#Cc1ncn(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1-c1nnn[n-]1 ZINC000826388279 948193613 /nfs/dbraw/zinc/19/36/13/948193613.db2.gz PYSOMFBJOVJISA-UHFFFAOYSA-N -1 3 397.424 0.613 20 30 GCEDHM CC(C)(C#N)CS(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573762032 948852409 /nfs/dbraw/zinc/85/24/09/948852409.db2.gz PMHMEDWHNBMRKG-UHFFFAOYSA-N -1 3 376.446 0.263 20 30 GCEDHM CC(C)(C#N)CS(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573762032 948852420 /nfs/dbraw/zinc/85/24/20/948852420.db2.gz PMHMEDWHNBMRKG-UHFFFAOYSA-N -1 3 376.446 0.263 20 30 GCEDHM CC1(Nc2cnc(C#N)cn2)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575854019 949224615 /nfs/dbraw/zinc/22/46/15/949224615.db2.gz YLDFLMZLBZYSJP-UHFFFAOYSA-N -1 3 378.400 0.963 20 30 GCEDHM CC1(Nc2cnc(C#N)cn2)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575854019 949224637 /nfs/dbraw/zinc/22/46/37/949224637.db2.gz YLDFLMZLBZYSJP-UHFFFAOYSA-N -1 3 378.400 0.963 20 30 GCEDHM CC1(Nc2nccnc2C#N)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575856706 949256342 /nfs/dbraw/zinc/25/63/42/949256342.db2.gz IWJXVMOLAFNMQF-UHFFFAOYSA-N -1 3 378.400 0.963 20 30 GCEDHM CC1(Nc2nccnc2C#N)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575856706 949256360 /nfs/dbraw/zinc/25/63/60/949256360.db2.gz IWJXVMOLAFNMQF-UHFFFAOYSA-N -1 3 378.400 0.963 20 30 GCEDHM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC001573794743 949321713 /nfs/dbraw/zinc/32/17/13/949321713.db2.gz JGWKLEDAUIHFQL-CQSZACIVSA-N -1 3 383.412 0.950 20 30 GCEDHM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC001573794743 949321735 /nfs/dbraw/zinc/32/17/35/949321735.db2.gz JGWKLEDAUIHFQL-CQSZACIVSA-N -1 3 383.412 0.950 20 30 GCEDHM C[C@@H]1CCCN(C(=O)C#CC2CC2)[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576169421 949674254 /nfs/dbraw/zinc/67/42/54/949674254.db2.gz XVBFPTDZHJIHHL-MLGOLLRUSA-N -1 3 381.440 0.965 20 30 GCEDHM C[C@@H]1CCCN(C(=O)C#CC2CC2)[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576169421 949674267 /nfs/dbraw/zinc/67/42/67/949674267.db2.gz XVBFPTDZHJIHHL-MLGOLLRUSA-N -1 3 381.440 0.965 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1c1cncc(C#N)n1 ZINC001575881776 949735044 /nfs/dbraw/zinc/73/50/44/949735044.db2.gz ATBBKBMHCOLZAV-GWCFXTLKSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1c1cncc(C#N)n1 ZINC001575881776 949735066 /nfs/dbraw/zinc/73/50/66/949735066.db2.gz ATBBKBMHCOLZAV-GWCFXTLKSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1c1ccnc(C#N)n1 ZINC001575882142 949758177 /nfs/dbraw/zinc/75/81/77/949758177.db2.gz GYXMAIKFNIIJJH-PWSUYJOCSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1c1ccnc(C#N)n1 ZINC001575882142 949758192 /nfs/dbraw/zinc/75/81/92/949758192.db2.gz GYXMAIKFNIIJJH-PWSUYJOCSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)CSCC#N ZINC001575888408 949913320 /nfs/dbraw/zinc/91/33/20/949913320.db2.gz PZDSYYHGAAUIMJ-CMPLNLGQSA-N -1 3 388.457 0.561 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)CSCC#N ZINC001575888408 949913340 /nfs/dbraw/zinc/91/33/40/949913340.db2.gz PZDSYYHGAAUIMJ-CMPLNLGQSA-N -1 3 388.457 0.561 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1c1ccnc(C#N)n1 ZINC001575888967 949918896 /nfs/dbraw/zinc/91/88/96/949918896.db2.gz QTVXLWUNSRJLOB-ZYHUDNBSSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1c1ccnc(C#N)n1 ZINC001575888967 949918914 /nfs/dbraw/zinc/91/89/14/949918914.db2.gz QTVXLWUNSRJLOB-ZYHUDNBSSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1CNc1ccnc(C#N)n1 ZINC001576180413 949953011 /nfs/dbraw/zinc/95/30/11/949953011.db2.gz HQXVVYLHUOFUSG-RISCZKNCSA-N -1 3 392.427 0.631 20 30 GCEDHM C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1CNc1ccnc(C#N)n1 ZINC001576180413 949953026 /nfs/dbraw/zinc/95/30/26/949953026.db2.gz HQXVVYLHUOFUSG-RISCZKNCSA-N -1 3 392.427 0.631 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575891325 950000861 /nfs/dbraw/zinc/00/08/61/950000861.db2.gz HZQJBPYSQSCVRG-JOYOIKCWSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575891325 950000884 /nfs/dbraw/zinc/00/08/84/950000884.db2.gz HZQJBPYSQSCVRG-JOYOIKCWSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575891324 950000999 /nfs/dbraw/zinc/00/09/99/950000999.db2.gz HZQJBPYSQSCVRG-CABZTGNLSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575891324 950001021 /nfs/dbraw/zinc/00/10/21/950001021.db2.gz HZQJBPYSQSCVRG-CABZTGNLSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575891697 950027307 /nfs/dbraw/zinc/02/73/07/950027307.db2.gz MTAXZLDZSVGORW-ONGXEEELSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575891697 950027329 /nfs/dbraw/zinc/02/73/29/950027329.db2.gz MTAXZLDZSVGORW-ONGXEEELSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575891716 950027843 /nfs/dbraw/zinc/02/78/43/950027843.db2.gz MXWNMUQSBPJFOA-JOYOIKCWSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575891716 950027866 /nfs/dbraw/zinc/02/78/66/950027866.db2.gz MXWNMUQSBPJFOA-JOYOIKCWSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575891696 950030335 /nfs/dbraw/zinc/03/03/35/950030335.db2.gz MTAXZLDZSVGORW-MWLCHTKSSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575891696 950030358 /nfs/dbraw/zinc/03/03/58/950030358.db2.gz MTAXZLDZSVGORW-MWLCHTKSSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1CNc1ccnc(C#N)n1 ZINC001576191237 950192153 /nfs/dbraw/zinc/19/21/53/950192153.db2.gz HFIRXBFYEQZENC-RYUDHWBXSA-N -1 3 392.427 0.489 20 30 GCEDHM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1CNc1ccnc(C#N)n1 ZINC001576191237 950192171 /nfs/dbraw/zinc/19/21/71/950192171.db2.gz HFIRXBFYEQZENC-RYUDHWBXSA-N -1 3 392.427 0.489 20 30 GCEDHM C[C@@](CNc1cnc(C#N)cn1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575156275 952250312 /nfs/dbraw/zinc/25/03/12/952250312.db2.gz SAWYCKOETJOZIJ-KRWDZBQOSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@@](CNc1cnc(C#N)cn1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575156275 952250317 /nfs/dbraw/zinc/25/03/17/952250317.db2.gz SAWYCKOETJOZIJ-KRWDZBQOSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@](CNc1cncc(C#N)n1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575164895 952300248 /nfs/dbraw/zinc/30/02/48/952300248.db2.gz ISENQUZTJKHQHS-QGZVFWFLSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@](CNc1cncc(C#N)n1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575164895 952300253 /nfs/dbraw/zinc/30/02/53/952300253.db2.gz ISENQUZTJKHQHS-QGZVFWFLSA-N -1 3 378.400 0.867 20 30 GCEDHM C=C(Cl)CN1CC(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1 ZINC001571121603 952520338 /nfs/dbraw/zinc/52/03/38/952520338.db2.gz APGCEUDQTYXROH-UHFFFAOYSA-N -1 3 376.852 0.389 20 30 GCEDHM C=C(Cl)CN1CC(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001571121603 952520340 /nfs/dbraw/zinc/52/03/40/952520340.db2.gz APGCEUDQTYXROH-UHFFFAOYSA-N -1 3 376.852 0.389 20 30 GCEDHM N#Cc1nccnc1N1CCCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571135669 952607181 /nfs/dbraw/zinc/60/71/81/952607181.db2.gz APCBDKSBNMDFDY-NSHDSACASA-N -1 3 378.400 0.645 20 30 GCEDHM N#Cc1nccnc1N1CCCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571135669 952607183 /nfs/dbraw/zinc/60/71/83/952607183.db2.gz APCBDKSBNMDFDY-NSHDSACASA-N -1 3 378.400 0.645 20 30 GCEDHM CCc1nc(C#N)cc(N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571135752 952607790 /nfs/dbraw/zinc/60/77/90/952607790.db2.gz CPNKACAYSGORSM-NSHDSACASA-N -1 3 378.400 0.745 20 30 GCEDHM CCc1nc(C#N)cc(N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571135752 952607793 /nfs/dbraw/zinc/60/77/93/952607793.db2.gz CPNKACAYSGORSM-NSHDSACASA-N -1 3 378.400 0.745 20 30 GCEDHM C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[C@@H]1Nc1cnc(C#N)cn1 ZINC001571135747 952608043 /nfs/dbraw/zinc/60/80/43/952608043.db2.gz CNSCJWLTTYQHMM-MFKMUULPSA-N -1 3 378.400 0.819 20 30 GCEDHM C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[C@@H]1Nc1cnc(C#N)cn1 ZINC001571135747 952608046 /nfs/dbraw/zinc/60/80/46/952608046.db2.gz CNSCJWLTTYQHMM-MFKMUULPSA-N -1 3 378.400 0.819 20 30 GCEDHM CCN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CCN(c2cncc(C#N)n2)C1 ZINC001571135726 952608081 /nfs/dbraw/zinc/60/80/81/952608081.db2.gz CCXFBGVWCMQJOU-GFCCVEGCSA-N -1 3 378.400 0.597 20 30 GCEDHM CCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCN(c2cncc(C#N)n2)C1 ZINC001571135726 952608082 /nfs/dbraw/zinc/60/80/82/952608082.db2.gz CCXFBGVWCMQJOU-GFCCVEGCSA-N -1 3 378.400 0.597 20 30 GCEDHM C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[C@H]1Nc1cnc(C#N)cn1 ZINC001571135748 952608351 /nfs/dbraw/zinc/60/83/51/952608351.db2.gz CNSCJWLTTYQHMM-ZWNOBZJWSA-N -1 3 378.400 0.819 20 30 GCEDHM C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[C@H]1Nc1cnc(C#N)cn1 ZINC001571135748 952608355 /nfs/dbraw/zinc/60/83/55/952608355.db2.gz CNSCJWLTTYQHMM-ZWNOBZJWSA-N -1 3 378.400 0.819 20 30 GCEDHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCN(c2ccnc(C#N)n2)CC1 ZINC001571136010 952610717 /nfs/dbraw/zinc/61/07/17/952610717.db2.gz KMUMPAHJSRVSHG-UHFFFAOYSA-N -1 3 378.400 0.597 20 30 GCEDHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCN(c2ccnc(C#N)n2)CC1 ZINC001571136010 952610719 /nfs/dbraw/zinc/61/07/19/952610719.db2.gz KMUMPAHJSRVSHG-UHFFFAOYSA-N -1 3 378.400 0.597 20 30 GCEDHM CN(C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cncc(C#N)n1 ZINC001571136045 952611786 /nfs/dbraw/zinc/61/17/86/952611786.db2.gz LDSHJQDQMQHXEV-LLVKDONJSA-N -1 3 378.400 0.455 20 30 GCEDHM CN(C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cncc(C#N)n1 ZINC001571136045 952611791 /nfs/dbraw/zinc/61/17/91/952611791.db2.gz LDSHJQDQMQHXEV-LLVKDONJSA-N -1 3 378.400 0.455 20 30 GCEDHM N#Cc1nccnc1N1CCCC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571136076 952612358 /nfs/dbraw/zinc/61/23/58/952612358.db2.gz LTTLMJHGXWGQBF-LBPRGKRZSA-N -1 3 378.400 0.645 20 30 GCEDHM N#Cc1nccnc1N1CCCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571136076 952612359 /nfs/dbraw/zinc/61/23/59/952612359.db2.gz LTTLMJHGXWGQBF-LBPRGKRZSA-N -1 3 378.400 0.645 20 30 GCEDHM CC1(C)CN(c2cncc(C#N)n2)C[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571136787 952615754 /nfs/dbraw/zinc/61/57/54/952615754.db2.gz VYYSIYRBNUZJHS-ZDUSSCGKSA-N -1 3 378.400 0.501 20 30 GCEDHM CC1(C)CN(c2cncc(C#N)n2)C[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571136787 952615756 /nfs/dbraw/zinc/61/57/56/952615756.db2.gz VYYSIYRBNUZJHS-ZDUSSCGKSA-N -1 3 378.400 0.501 20 30 GCEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(c2nc[nH]n2)CC1 ZINC001571136650 952616283 /nfs/dbraw/zinc/61/62/83/952616283.db2.gz UGBBXEVILDUITO-CQSZACIVSA-N -1 3 378.400 0.016 20 30 GCEDHM CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571139000 952618054 /nfs/dbraw/zinc/61/80/54/952618054.db2.gz AQQUQLQQKNFROC-ZIAGYGMSSA-N -1 3 379.384 0.095 20 30 GCEDHM CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571139000 952618058 /nfs/dbraw/zinc/61/80/58/952618058.db2.gz AQQUQLQQKNFROC-ZIAGYGMSSA-N -1 3 379.384 0.095 20 30 GCEDHM CO[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001571139276 952618903 /nfs/dbraw/zinc/61/89/03/952618903.db2.gz FBEHFGOPXDERRZ-ZIAGYGMSSA-N -1 3 379.384 0.095 20 30 GCEDHM CO[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001571139276 952618907 /nfs/dbraw/zinc/61/89/07/952618907.db2.gz FBEHFGOPXDERRZ-ZIAGYGMSSA-N -1 3 379.384 0.095 20 30 GCEDHM N#Cc1cc(C(=O)NCC2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c[nH]1 ZINC001571139083 952619046 /nfs/dbraw/zinc/61/90/46/952619046.db2.gz BQDXHYGLFOZRRO-UHFFFAOYSA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1cc(C(=O)NCC2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c[nH]1 ZINC001571139083 952619050 /nfs/dbraw/zinc/61/90/50/952619050.db2.gz BQDXHYGLFOZRRO-UHFFFAOYSA-N -1 3 379.384 0.333 20 30 GCEDHM CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571140029 952623376 /nfs/dbraw/zinc/62/33/76/952623376.db2.gz NNCLQCATVBCONW-GFCCVEGCSA-N -1 3 379.384 0.381 20 30 GCEDHM CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571140029 952623380 /nfs/dbraw/zinc/62/33/80/952623380.db2.gz NNCLQCATVBCONW-GFCCVEGCSA-N -1 3 379.384 0.381 20 30 GCEDHM N#Cc1c[nH]c(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571140400 952625413 /nfs/dbraw/zinc/62/54/13/952625413.db2.gz QNLWUGIGYGIBIW-UHFFFAOYSA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1c[nH]c(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571140400 952625415 /nfs/dbraw/zinc/62/54/15/952625415.db2.gz QNLWUGIGYGIBIW-UHFFFAOYSA-N -1 3 379.384 0.333 20 30 GCEDHM CN(C(=O)c1ccc(C#N)[nH]1)C1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571141206 952631548 /nfs/dbraw/zinc/63/15/48/952631548.db2.gz WCMOLISQFZBSLU-UHFFFAOYSA-N -1 3 379.384 0.428 20 30 GCEDHM CN(C(=O)c1ccc(C#N)[nH]1)C1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571141206 952631552 /nfs/dbraw/zinc/63/15/52/952631552.db2.gz WCMOLISQFZBSLU-UHFFFAOYSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001571141249 952631724 /nfs/dbraw/zinc/63/17/24/952631724.db2.gz WXVCYLLFTOVYMC-RNCFNFMXSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001571141249 952631728 /nfs/dbraw/zinc/63/17/28/952631728.db2.gz WXVCYLLFTOVYMC-RNCFNFMXSA-N -1 3 379.384 0.428 20 30 GCEDHM N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)s1 ZINC001571242303 953255698 /nfs/dbraw/zinc/25/56/98/953255698.db2.gz YUCNLXQEJFIZJD-ZIAGYGMSSA-N -1 3 384.425 0.103 20 30 GCEDHM N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)s1 ZINC001571242303 953255700 /nfs/dbraw/zinc/25/57/00/953255700.db2.gz YUCNLXQEJFIZJD-ZIAGYGMSSA-N -1 3 384.425 0.103 20 30 GCEDHM C#CCN(C)CCCNC(=O)[C@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001588396063 958046146 /nfs/dbraw/zinc/04/61/46/958046146.db2.gz STWRQABEDGGGFT-SFHVURJKSA-N -1 3 383.445 0.148 20 30 GCEDHM C#CCNC(=O)C1CCN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2OC)CC1 ZINC001588479308 983518702 /nfs/dbraw/zinc/51/87/02/983518702.db2.gz JAEYHLZYZXYGIB-MRXNPFEDSA-N -1 3 390.436 0.595 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC(=O)NCC(F)F ZINC000557845042 530117796 /nfs/dbraw/zinc/11/77/96/530117796.db2.gz HSOVKYBANILDHM-UHFFFAOYSA-N -1 3 382.186 0.980 20 30 GCEDHM CC(C)(O)C(C)(C)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000571416575 530119794 /nfs/dbraw/zinc/11/97/94/530119794.db2.gz GTNYHWJKWKLKDC-UHFFFAOYSA-N -1 3 389.499 0.564 20 30 GCEDHM CCOC(=O)[C@@H](CCOC(C)(C)C)[N-]S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000409488723 530229323 /nfs/dbraw/zinc/22/93/23/530229323.db2.gz WRNKDQZXCAFWEF-QWHCGFSZSA-N -1 3 377.463 0.182 20 30 GCEDHM CCOC(=O)[C@@H](CCOC(C)(C)C)[N-]S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000409488719 530229408 /nfs/dbraw/zinc/22/94/08/530229408.db2.gz WRNKDQZXCAFWEF-CHWSQXEVSA-N -1 3 377.463 0.182 20 30 GCEDHM CCOC(=O)[C@@H]([N-]S(=O)(=O)N(CCC#N)CCOC)C1CCOCC1 ZINC000409499352 530229631 /nfs/dbraw/zinc/22/96/31/530229631.db2.gz KSOGEVRUDUJHDM-AWEZNQCLSA-N -1 3 377.463 0.041 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)CCO1 ZINC000410120035 530235318 /nfs/dbraw/zinc/23/53/18/530235318.db2.gz ZUMISFHHZXHMPK-LBPRGKRZSA-N -1 3 383.817 0.949 20 30 GCEDHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN(CC#N)CC2)cc1F ZINC000269374344 530239710 /nfs/dbraw/zinc/23/97/10/530239710.db2.gz ZOKBAVVPYOUKGP-UHFFFAOYSA-N -1 3 376.435 0.027 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1CC(C(N)=O)=NO1 ZINC000287538657 530244170 /nfs/dbraw/zinc/24/41/70/530244170.db2.gz WIQZFBYGNHTVHE-ZETCQYMHSA-N -1 3 387.215 0.229 20 30 GCEDHM N#Cc1ccc(NC(=O)C(=O)NCC[N-]S(=O)(=O)c2cccs2)nc1 ZINC000550558364 530248882 /nfs/dbraw/zinc/24/88/82/530248882.db2.gz RTUMYVRUOXNEQY-UHFFFAOYSA-N -1 3 379.423 0.048 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1CN2CCN1CC2 ZINC000287788422 530257835 /nfs/dbraw/zinc/25/78/35/530257835.db2.gz KZGZAFUOKGCKCA-LLVKDONJSA-N -1 3 385.287 0.599 20 30 GCEDHM CS(=O)(=O)CCCCC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000478769120 530259549 /nfs/dbraw/zinc/25/95/49/530259549.db2.gz IIYUCGSRKUAMGN-UHFFFAOYSA-N -1 3 375.428 0.960 20 30 GCEDHM CN(CCC#N)C[C@@H](O)CNCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000518759476 530331214 /nfs/dbraw/zinc/33/12/14/530331214.db2.gz WYEWJBVSHUQBQE-ZDUSSCGKSA-N -1 3 392.884 0.553 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000571656845 530323414 /nfs/dbraw/zinc/32/34/14/530323414.db2.gz HJEIKQKGMFHJJK-XQQFMLRXSA-N -1 3 385.467 0.499 20 30 GCEDHM CC(C)(C#N)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)CO)cc1 ZINC000572781060 530324878 /nfs/dbraw/zinc/32/48/78/530324878.db2.gz ADZRYYGCDCBNTO-UHFFFAOYSA-N -1 3 397.425 0.173 20 30 GCEDHM CC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N)C(C)(C)O ZINC000570826537 530326088 /nfs/dbraw/zinc/32/60/88/530326088.db2.gz GBVKWIFIXXBGDR-CYBMUJFWSA-N -1 3 375.472 0.316 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@]2(O)CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000565235667 530351453 /nfs/dbraw/zinc/35/14/53/530351453.db2.gz RLAXBJSPRTVFIA-LBPRGKRZSA-N -1 3 398.384 0.405 20 30 GCEDHM N#C[C@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000283626872 530380956 /nfs/dbraw/zinc/38/09/56/530380956.db2.gz BLLBAFOSRGXYAN-JTQLQIEISA-N -1 3 377.344 0.735 20 30 GCEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000285110754 530389883 /nfs/dbraw/zinc/38/98/83/530389883.db2.gz OIAKJDUIHLLCII-ZDUSSCGKSA-N -1 3 377.513 0.860 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCCSC1 ZINC000594633850 530435732 /nfs/dbraw/zinc/43/57/32/530435732.db2.gz PVDJWROSTPLXKA-NSHDSACASA-N -1 3 375.497 0.662 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1C=C[C@H](CO)C1 ZINC000594635448 530436514 /nfs/dbraw/zinc/43/65/14/530436514.db2.gz ZBRRPRVPPVAWPY-QWHCGFSZSA-N -1 3 385.467 0.046 20 30 GCEDHM C[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CC[C@@H](CO)C1 ZINC000594635206 530436652 /nfs/dbraw/zinc/43/66/52/530436652.db2.gz QCHCTCZDURVPQR-UPJWGTAASA-N -1 3 387.483 0.316 20 30 GCEDHM COC(C)(C)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000594635379 530436669 /nfs/dbraw/zinc/43/66/69/530436669.db2.gz UTLYBDGKUZNHNY-UHFFFAOYSA-N -1 3 389.499 0.970 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCOC[C@@H]1C ZINC000594637358 530437188 /nfs/dbraw/zinc/43/71/88/530437188.db2.gz BJECZPIVQACGEO-UONOGXRCSA-N -1 3 381.520 0.285 20 30 GCEDHM C[C@H]1COCCCN1S(=O)(=O)CCCS(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000594637365 530437568 /nfs/dbraw/zinc/43/75/68/530437568.db2.gz CGZDHTMJMUYRFT-ZFWWWQNUSA-N -1 3 393.531 0.429 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCC(C)(C)CO ZINC000594633398 530435002 /nfs/dbraw/zinc/43/50/02/530435002.db2.gz IKFROUNGOWYWGI-NSHDSACASA-N -1 3 375.472 0.174 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCC(C)(C)O ZINC000594633085 530435023 /nfs/dbraw/zinc/43/50/23/530435023.db2.gz ROFUTTWIYDWKHQ-GFCCVEGCSA-N -1 3 389.499 0.562 20 30 GCEDHM C[C@@H](CO)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C(C)(C)C#N ZINC000594633308 530435034 /nfs/dbraw/zinc/43/50/34/530435034.db2.gz GBAKVVPMMWNKSD-GFCCVEGCSA-N -1 3 389.499 0.516 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC1CCOCC1 ZINC000594633595 530435209 /nfs/dbraw/zinc/43/52/09/530435209.db2.gz WEHXHDUMXDEOOA-LBPRGKRZSA-N -1 3 387.483 0.724 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](O)C1 ZINC000594633768 530435486 /nfs/dbraw/zinc/43/54/86/530435486.db2.gz HLTQNCKVPXQEEO-AVGNSLFASA-N -1 3 387.483 0.316 20 30 GCEDHM N#CCCN(CCN1CCOCC1)C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000299528754 530491033 /nfs/dbraw/zinc/49/10/33/530491033.db2.gz NHNZOCFVRBJOHC-UHFFFAOYSA-N -1 3 386.499 0.101 20 30 GCEDHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C#N ZINC000563429770 530525511 /nfs/dbraw/zinc/52/55/11/530525511.db2.gz BRJVKSADIXMZEN-YNEHKIRRSA-N -1 3 389.499 0.921 20 30 GCEDHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C#N ZINC000563429768 530525661 /nfs/dbraw/zinc/52/56/61/530525661.db2.gz BRJVKSADIXMZEN-UPJWGTAASA-N -1 3 389.499 0.921 20 30 GCEDHM CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1(C#N)CC1 ZINC000563430077 530525889 /nfs/dbraw/zinc/52/58/89/530525889.db2.gz VBLGBBJTMVDUJQ-UHFFFAOYSA-N -1 3 382.467 0.803 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@](C)(O)C1CC1 ZINC000563432951 530526087 /nfs/dbraw/zinc/52/60/87/530526087.db2.gz RFNPVXKMECFWAP-OAHLLOKOSA-N -1 3 387.483 0.270 20 30 GCEDHM C[C@@H](O)CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000563636357 530527601 /nfs/dbraw/zinc/52/76/01/530527601.db2.gz NUYQANLHEOOCES-LLVKDONJSA-N -1 3 375.472 0.316 20 30 GCEDHM C=CCOCC[N-]S(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 ZINC000679474354 530528256 /nfs/dbraw/zinc/52/82/56/530528256.db2.gz IHNGUIUOYJZSJE-UHFFFAOYSA-N -1 3 382.529 0.711 20 30 GCEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC(=O)NCC(F)F ZINC000573904464 530530010 /nfs/dbraw/zinc/53/00/10/530530010.db2.gz FGFLJMTUYWTZCQ-UHFFFAOYSA-N -1 3 382.186 0.980 20 30 GCEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CC#N)C1CC1 ZINC000566489101 530530714 /nfs/dbraw/zinc/53/07/14/530530714.db2.gz WJYDGJBROREGEB-LBPRGKRZSA-N -1 3 382.467 0.944 20 30 GCEDHM CC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N)[C@H]1CCCO1 ZINC000566489049 530530902 /nfs/dbraw/zinc/53/09/02/530530902.db2.gz SXOAZZRFKXJAGU-CHWSQXEVSA-N -1 3 387.483 0.724 20 30 GCEDHM CC[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N)C(C)(C)O ZINC000566630052 530532815 /nfs/dbraw/zinc/53/28/15/530532815.db2.gz OEFXSESOJYYEKH-AWEZNQCLSA-N -1 3 389.499 0.658 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H](O)C(F)F ZINC000567916213 530550876 /nfs/dbraw/zinc/55/08/76/530550876.db2.gz MZXFWJSEYREMQI-NXEZZACHSA-N -1 3 397.425 0.123 20 30 GCEDHM C[C@H]([N-]S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1)c1ccon1 ZINC000568252296 530555694 /nfs/dbraw/zinc/55/56/94/530555694.db2.gz NMRVCAGWIGCPHV-NSHDSACASA-N -1 3 384.439 0.858 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCCCC[C@H]1O ZINC000568255857 530556720 /nfs/dbraw/zinc/55/67/20/530556720.db2.gz JIFLPAFLMCGETN-CHWSQXEVSA-N -1 3 387.483 0.460 20 30 GCEDHM C#CCCN1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000282110907 530558692 /nfs/dbraw/zinc/55/86/92/530558692.db2.gz GRJRQNYFPFAUNG-UHFFFAOYSA-N -1 3 380.861 0.850 20 30 GCEDHM C#CCCN1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000282110907 530558694 /nfs/dbraw/zinc/55/86/94/530558694.db2.gz GRJRQNYFPFAUNG-UHFFFAOYSA-N -1 3 380.861 0.850 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCC1(C#N)CCC1 ZINC000568768064 530563495 /nfs/dbraw/zinc/56/34/95/530563495.db2.gz FDVNVTCVYBSGRR-LBPRGKRZSA-N -1 3 382.467 0.849 20 30 GCEDHM C=CCNC(=O)c1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)cc1 ZINC000290437124 530564258 /nfs/dbraw/zinc/56/42/58/530564258.db2.gz BMYXSNKZGQBLFU-UHFFFAOYSA-N -1 3 389.499 0.626 20 30 GCEDHM COC(=O)CN(CC#N)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000569225026 530568347 /nfs/dbraw/zinc/56/83/47/530568347.db2.gz KQOXFALOEISARE-UHFFFAOYSA-N -1 3 394.236 0.797 20 30 GCEDHM CCS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000438901030 530571743 /nfs/dbraw/zinc/57/17/43/530571743.db2.gz HXLVDFJPOATLKF-UHFFFAOYSA-N -1 3 377.875 0.771 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H](C)N(C)C ZINC000573507292 530581148 /nfs/dbraw/zinc/58/11/48/530581148.db2.gz XLRJXUMDXONVLD-OLZOCXBDSA-N -1 3 388.515 0.448 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NCCC1(O)CCC1 ZINC000573578226 530581328 /nfs/dbraw/zinc/58/13/28/530581328.db2.gz JWIKXOBJUMMZCM-LBPRGKRZSA-N -1 3 387.483 0.460 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCSC1 ZINC000573863778 530584151 /nfs/dbraw/zinc/58/41/51/530584151.db2.gz XSZWZJOQCLCJBY-NSHDSACASA-N -1 3 375.497 0.614 20 30 GCEDHM CS(=O)(=O)N1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000274815306 530582553 /nfs/dbraw/zinc/58/25/53/530582553.db2.gz UVKDZMMNLQSUCV-LLVKDONJSA-N -1 3 377.875 0.914 20 30 GCEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 ZINC000452024019 530596262 /nfs/dbraw/zinc/59/62/62/530596262.db2.gz OLZYSPGAEDSUOI-GFCCVEGCSA-N -1 3 396.556 0.835 20 30 GCEDHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)s1 ZINC000329044170 530605144 /nfs/dbraw/zinc/60/51/44/530605144.db2.gz PFMYTPGKAZPSPF-MNOVXSKESA-N -1 3 387.487 0.373 20 30 GCEDHM C[C@@H](O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000576768430 530612396 /nfs/dbraw/zinc/61/23/96/530612396.db2.gz SHAZUEOQAHNEIO-RISCZKNCSA-N -1 3 389.499 0.562 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCSC1 ZINC000573982942 530585362 /nfs/dbraw/zinc/58/53/62/530585362.db2.gz XEWUDTQSUZOCJN-LLVKDONJSA-N -1 3 375.497 0.520 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000573982072 530585573 /nfs/dbraw/zinc/58/55/73/530585573.db2.gz FDRJFXWCTXLVBF-SWLSCSKDSA-N -1 3 385.467 0.334 20 30 GCEDHM COC1CCC(NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CC1 ZINC000577650190 530623415 /nfs/dbraw/zinc/62/34/15/530623415.db2.gz HNNMRXLXTMFKFD-UHFFFAOYSA-N -1 3 387.483 0.724 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](O)C1 ZINC000349447527 530635962 /nfs/dbraw/zinc/63/59/62/530635962.db2.gz BVWGISOQXWZKCH-OLZOCXBDSA-N -1 3 387.483 0.268 20 30 GCEDHM CC[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-][C@@H](C)C#N)C[C@H]1O ZINC000349450719 530636098 /nfs/dbraw/zinc/63/60/98/530636098.db2.gz MFPPGCGAWVGEPQ-YNEHKIRRSA-N -1 3 387.483 0.268 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](O)C[C@@H]1C ZINC000349450731 530636476 /nfs/dbraw/zinc/63/64/76/530636476.db2.gz MIJUIRKLLBVJEJ-AVGNSLFASA-N -1 3 387.483 0.411 20 30 GCEDHM C[C@@H]1[C@H](C)N(C)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349453880 530637226 /nfs/dbraw/zinc/63/72/26/530637226.db2.gz PCJVWKQKYBKNIM-QWHCGFSZSA-N -1 3 386.499 0.202 20 30 GCEDHM C[C@@H](CC#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349466055 530642043 /nfs/dbraw/zinc/64/20/43/530642043.db2.gz FKRUOZNUODUZDM-LBPRGKRZSA-N -1 3 382.467 0.944 20 30 GCEDHM COC1([C@H](C)NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CCC1 ZINC000577231604 530618537 /nfs/dbraw/zinc/61/85/37/530618537.db2.gz NRYIEEBNOXWLCK-LBPRGKRZSA-N -1 3 387.483 0.724 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCSC1 ZINC000577230968 530618673 /nfs/dbraw/zinc/61/86/73/530618673.db2.gz BOBXRXWXPQZEDZ-NWDGAFQWSA-N -1 3 389.524 0.908 20 30 GCEDHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329697348 530619278 /nfs/dbraw/zinc/61/92/78/530619278.db2.gz FDOREMKNXPHKSD-SSDOTTSWSA-N -1 3 380.220 0.245 20 30 GCEDHM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000588122054 530620946 /nfs/dbraw/zinc/62/09/46/530620946.db2.gz AUVIOAAQEQNMHB-JTQLQIEISA-N -1 3 377.216 0.523 20 30 GCEDHM CC[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000349475647 530646777 /nfs/dbraw/zinc/64/67/77/530646777.db2.gz XWKPLIJULKRQFD-XQQFMLRXSA-N -1 3 387.483 0.723 20 30 GCEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCOC1 ZINC000349476635 530647389 /nfs/dbraw/zinc/64/73/89/530647389.db2.gz CIYTZQHZUFDJLR-AWEZNQCLSA-N -1 3 387.483 0.882 20 30 GCEDHM CC[C@@H](CO)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000349476640 530647418 /nfs/dbraw/zinc/64/74/18/530647418.db2.gz CKCOLBOIFXYVON-RYUDHWBXSA-N -1 3 375.472 0.268 20 30 GCEDHM CC(C)O[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C1 ZINC000349476708 530647694 /nfs/dbraw/zinc/64/76/94/530647694.db2.gz CXVHJSPANWXYGG-CYBMUJFWSA-N -1 3 387.483 0.676 20 30 GCEDHM CO[C@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2(C#N)CC2)C1 ZINC000349479407 530648737 /nfs/dbraw/zinc/64/87/37/530648737.db2.gz IZOHFJPTXJBWSL-LBPRGKRZSA-N -1 3 385.467 0.430 20 30 GCEDHM C[C@H]1CSCCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349481109 530650270 /nfs/dbraw/zinc/65/02/70/530650270.db2.gz MCCLADIKOPAEAB-NSHDSACASA-N -1 3 375.497 0.614 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)CO ZINC000349483802 530651545 /nfs/dbraw/zinc/65/15/45/530651545.db2.gz WUEUSJZYEGXEPP-CHWSQXEVSA-N -1 3 389.499 0.514 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C ZINC000349496296 530657913 /nfs/dbraw/zinc/65/79/13/530657913.db2.gz GWFXWILEUPFIFT-STQMWFEESA-N -1 3 383.561 0.611 20 30 GCEDHM CN(C1CCOCC1)S(=O)(=O)CCCS(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000349516545 530669268 /nfs/dbraw/zinc/66/92/68/530669268.db2.gz JJYUGPGFHUOAMU-HNNXBMFYSA-N -1 3 393.531 0.429 20 30 GCEDHM CN([C@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000349518895 530670531 /nfs/dbraw/zinc/67/05/31/530670531.db2.gz HWZAAXLGZYHANU-GXTWGEPZSA-N -1 3 379.504 0.039 20 30 GCEDHM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)CCCO1 ZINC000349527799 530673835 /nfs/dbraw/zinc/67/38/35/530673835.db2.gz WNXHVKJINXNZQK-HIFRSBDPSA-N -1 3 393.531 0.429 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@@H]1F ZINC000349535093 530678200 /nfs/dbraw/zinc/67/82/00/530678200.db2.gz KBUGMSZKCQCRJU-OUCADQQQSA-N -1 3 381.495 0.798 20 30 GCEDHM C=CCn1c(SCC(=O)Nc2cc(S(N)(=O)=O)ccc2C)n[n-]c1=O ZINC000470836731 530696883 /nfs/dbraw/zinc/69/68/83/530696883.db2.gz OMAHNIQVXZBKQB-UHFFFAOYSA-N -1 3 383.455 0.856 20 30 GCEDHM C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)CS1 ZINC000349575733 530701598 /nfs/dbraw/zinc/70/15/98/530701598.db2.gz OQIXPOFESWRGRU-BZPMIXESSA-N -1 3 395.572 0.802 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCCS(=O)(=O)N1CCCOCC1 ZINC000349591563 530708633 /nfs/dbraw/zinc/70/86/33/530708633.db2.gz OKWWOPFZGKWVHL-HNNXBMFYSA-N -1 3 393.531 0.430 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCCS(=O)(=O)N1CCCOC1 ZINC000349604849 530716500 /nfs/dbraw/zinc/71/65/00/530716500.db2.gz UEZMTNATRZHEOS-CQSZACIVSA-N -1 3 379.504 0.388 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(N)=O)O2)c(C(F)(F)F)c1 ZINC000268323649 530684238 /nfs/dbraw/zinc/68/42/38/530684238.db2.gz GNOLDNHUAHGSCI-MWLCHTKSSA-N -1 3 377.344 0.888 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](C(N)=O)O2)c(C(F)(F)F)c1 ZINC000268323648 530684755 /nfs/dbraw/zinc/68/47/55/530684755.db2.gz GNOLDNHUAHGSCI-KOLCDFICSA-N -1 3 377.344 0.888 20 30 GCEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cnn2cc(Br)cnc12 ZINC000641408292 530739613 /nfs/dbraw/zinc/73/96/13/530739613.db2.gz IUUWRSFBXIJLBG-VIFPVBQESA-N -1 3 375.248 0.955 20 30 GCEDHM C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCCS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000349617101 530722261 /nfs/dbraw/zinc/72/22/61/530722261.db2.gz MRQDEGYWUGUCRZ-UMVBOHGHSA-N -1 3 393.531 0.163 20 30 GCEDHM CC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N)[C@@H](C)O ZINC000581022878 530753347 /nfs/dbraw/zinc/75/33/47/530753347.db2.gz MUCDEEOHLLCAGO-NEPJUHHUSA-N -1 3 389.499 0.705 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCC[C@H]1O ZINC000581260546 530756014 /nfs/dbraw/zinc/75/60/14/530756014.db2.gz JEMMJINPXFHUAM-YNEHKIRRSA-N -1 3 387.483 0.459 20 30 GCEDHM N#Cc1ccc(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c(F)c1 ZINC000170937801 530772941 /nfs/dbraw/zinc/77/29/41/530772941.db2.gz NLDAGBLGDSRISC-UHFFFAOYSA-N -1 3 381.161 0.626 20 30 GCEDHM C[C@@H](C[C@@H]1CCCO1)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000582371095 530777039 /nfs/dbraw/zinc/77/70/39/530777039.db2.gz LOGALLAXMXEUMI-STQMWFEESA-N -1 3 387.483 0.724 20 30 GCEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(=O)OC)C(=O)OC ZINC000481587252 530779315 /nfs/dbraw/zinc/77/93/15/530779315.db2.gz KNVMFKVQBZTCRT-LBPRGKRZSA-N -1 3 375.374 0.635 20 30 GCEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(=O)OC)C(=O)OC ZINC000481587251 530779526 /nfs/dbraw/zinc/77/95/26/530779526.db2.gz KNVMFKVQBZTCRT-GFCCVEGCSA-N -1 3 375.374 0.635 20 30 GCEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)C(=O)OC ZINC000481595524 530779541 /nfs/dbraw/zinc/77/95/41/530779541.db2.gz HJNGJJXZXIPAQE-GFCCVEGCSA-N -1 3 376.456 0.407 20 30 GCEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1)C(=O)OC ZINC000481615281 530780189 /nfs/dbraw/zinc/78/01/89/530780189.db2.gz WPQMAAYCAOGFGK-CYBMUJFWSA-N -1 3 375.374 0.635 20 30 GCEDHM C=CCN(CCOC)C(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000482359397 530784705 /nfs/dbraw/zinc/78/47/05/530784705.db2.gz QOKBHZPCSWOIJN-UHFFFAOYSA-N -1 3 389.499 0.324 20 30 GCEDHM Cn1ncc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)c1C#N ZINC000511962920 530820574 /nfs/dbraw/zinc/82/05/74/530820574.db2.gz YQDSLIZADCQESG-UHFFFAOYSA-N -1 3 385.808 0.793 20 30 GCEDHM CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)C1 ZINC000582677100 530846903 /nfs/dbraw/zinc/84/69/03/530846903.db2.gz LQHFXIYWNKJAJH-QWHCGFSZSA-N -1 3 387.483 0.676 20 30 GCEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC(=O)N1CCOCC1 ZINC000416452783 530847057 /nfs/dbraw/zinc/84/70/57/530847057.db2.gz DQPWFLVUGDIUEA-UHFFFAOYSA-N -1 3 388.243 0.458 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@](C)(F)C1 ZINC000349458244 530874316 /nfs/dbraw/zinc/87/43/16/530874316.db2.gz GITHLBKPGWNNRF-ZIAGYGMSSA-N -1 3 381.495 0.752 20 30 GCEDHM N#CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N[C@@H]2CCSC2)CC1 ZINC000582915157 530856635 /nfs/dbraw/zinc/85/66/35/530856635.db2.gz BRGMNOHXOYBHLR-LLVKDONJSA-N -1 3 387.508 0.805 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C[C@H](C)O ZINC000349461848 530875293 /nfs/dbraw/zinc/87/52/93/530875293.db2.gz XJDWJYPRTLFDON-STQMWFEESA-N -1 3 389.499 0.514 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](C)[C@H](O)C1 ZINC000349464141 530872618 /nfs/dbraw/zinc/87/26/18/530872618.db2.gz BQIOGCKNDYUQAK-FRRDWIJNSA-N -1 3 387.483 0.268 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](C)[C@@H](O)C1 ZINC000349464139 530872897 /nfs/dbraw/zinc/87/28/97/530872897.db2.gz BQIOGCKNDYUQAK-AGIUHOORSA-N -1 3 387.483 0.268 20 30 GCEDHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCSC[C@@H]1C#N ZINC000493542068 530838488 /nfs/dbraw/zinc/83/84/88/530838488.db2.gz IGCSJQPPCDIMMO-NSHDSACASA-N -1 3 375.497 0.614 20 30 GCEDHM CCN(C[C@@H](C)C#N)C(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000610210744 530843727 /nfs/dbraw/zinc/84/37/27/530843727.db2.gz PZDAYNJPAKCCSS-NSHDSACASA-N -1 3 386.499 0.671 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCCOCC1 ZINC000582498815 530844855 /nfs/dbraw/zinc/84/48/55/530844855.db2.gz XEGODWGLZXXZIP-ZDUSSCGKSA-N -1 3 387.483 0.678 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC000349547008 530902752 /nfs/dbraw/zinc/90/27/52/530902752.db2.gz UMBOPMJZVOADPU-LALPHHSUSA-N -1 3 393.531 0.067 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CS(=O)(=O)CCO2)c(C(F)(F)F)c1 ZINC000534335029 530902943 /nfs/dbraw/zinc/90/29/43/530902943.db2.gz CMDTVUNOAVLTQI-SNVBAGLBSA-N -1 3 398.384 0.669 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@]23NC(=O)NC3=O)c(Cl)c1 ZINC000378604889 530903688 /nfs/dbraw/zinc/90/36/88/530903688.db2.gz IEKDCHPYQRYGDX-BONVTDFDSA-N -1 3 382.829 0.868 20 30 GCEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)C1 ZINC000349557286 530905518 /nfs/dbraw/zinc/90/55/18/530905518.db2.gz YHNCNIYNCORNOO-KFWWJZLASA-N -1 3 393.531 0.477 20 30 GCEDHM C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)C[C@@H]1O ZINC000349597645 530908704 /nfs/dbraw/zinc/90/87/04/530908704.db2.gz DWJJBKDIGLTGQT-VNHYZAJKSA-N -1 3 393.531 0.021 20 30 GCEDHM C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)C[C@H]1O ZINC000349597644 530909160 /nfs/dbraw/zinc/90/91/60/530909160.db2.gz DWJJBKDIGLTGQT-UMVBOHGHSA-N -1 3 393.531 0.021 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)NC1CCOCC1 ZINC000349602121 530910215 /nfs/dbraw/zinc/91/02/15/530910215.db2.gz LCBCHLUVKQYVGJ-CQSZACIVSA-N -1 3 379.504 0.087 20 30 GCEDHM CC(C)(O)CN(C1CC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349480858 530877116 /nfs/dbraw/zinc/87/71/16/530877116.db2.gz LOSMMBAJOIVGRH-UHFFFAOYSA-N -1 3 387.483 0.412 20 30 GCEDHM C[C@@H](O)CCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349480260 530877192 /nfs/dbraw/zinc/87/71/92/530877192.db2.gz KKLFKJUUWKFJDO-GFCCVEGCSA-N -1 3 387.483 0.412 20 30 GCEDHM C[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2(C#N)CC2)C[C@H]1O ZINC000349482455 530877660 /nfs/dbraw/zinc/87/76/60/530877660.db2.gz RTMMXQWDYPEDOG-NWDGAFQWSA-N -1 3 385.467 0.022 20 30 GCEDHM CO[C@@H]1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CC1 ZINC000349482031 530877686 /nfs/dbraw/zinc/87/76/86/530877686.db2.gz QFBGYNLYAGSKKX-CYBMUJFWSA-N -1 3 387.483 0.678 20 30 GCEDHM COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)C1 ZINC000349494479 530880709 /nfs/dbraw/zinc/88/07/09/530880709.db2.gz CQJWEJXLNCURSZ-ZFWWWQNUSA-N -1 3 393.531 0.429 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000349529466 530880832 /nfs/dbraw/zinc/88/08/32/530880832.db2.gz ZUKWIYFBUBPFRG-MJBXVCDLSA-N -1 3 397.588 1.000 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000349503724 530883648 /nfs/dbraw/zinc/88/36/48/530883648.db2.gz PSXLYPZKEJWFAE-ZNMIVQPWSA-N -1 3 377.532 0.906 20 30 GCEDHM CO[C@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000594825937 530885071 /nfs/dbraw/zinc/88/50/71/530885071.db2.gz DUUTZLLOFZUOSB-QWRGUYRKSA-N -1 3 398.384 0.667 20 30 GCEDHM Cc1cncc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@](F)(C#N)C2)c1 ZINC000349506614 530885084 /nfs/dbraw/zinc/88/50/84/530885084.db2.gz UMSDYPIVJITYKB-AWEZNQCLSA-N -1 3 390.462 0.789 20 30 GCEDHM CN(C)c1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)nc1 ZINC000349508203 530885404 /nfs/dbraw/zinc/88/54/04/530885404.db2.gz WLRDHWZKGJPSKG-UHFFFAOYSA-N -1 3 387.487 0.065 20 30 GCEDHM CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443032608 530888372 /nfs/dbraw/zinc/88/83/72/530888372.db2.gz KJTQIZCVHLRUQP-UHFFFAOYSA-N -1 3 376.416 0.074 20 30 GCEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000370982056 530888572 /nfs/dbraw/zinc/88/85/72/530888572.db2.gz IMRRXMBHPQGOHA-RFAUZJTJSA-N -1 3 382.829 0.868 20 30 GCEDHM CC(C)NS(=O)(=O)CC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443043795 530889170 /nfs/dbraw/zinc/88/91/70/530889170.db2.gz GHJPTJFVFFBZPX-UHFFFAOYSA-N -1 3 376.416 0.073 20 30 GCEDHM CN([C@H]1CCSC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349466082 530890638 /nfs/dbraw/zinc/89/06/38/530890638.db2.gz FMFILRUTJOZATO-NSHDSACASA-N -1 3 375.497 0.614 20 30 GCEDHM CCN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C[C@H]1C ZINC000349469888 530891308 /nfs/dbraw/zinc/89/13/08/530891308.db2.gz LIUAPNOLQKUXME-CYBMUJFWSA-N -1 3 386.499 0.203 20 30 GCEDHM C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]C2(C#N)CCCCC2)CO1 ZINC000349577376 530895368 /nfs/dbraw/zinc/89/53/68/530895368.db2.gz QSRNMSSQMLXLME-KGLIPLIRSA-N -1 3 393.531 0.619 20 30 GCEDHM CN(C)S(=O)(=O)c1ccccc1C[N-]S(=O)(=O)c1cccnc1C#N ZINC000428252410 530896933 /nfs/dbraw/zinc/89/69/33/530896933.db2.gz HSXVOUKXBGGTDP-UHFFFAOYSA-N -1 3 380.451 0.682 20 30 GCEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCS(=O)(=O)NCc1ccccc1 ZINC000428240379 530897101 /nfs/dbraw/zinc/89/71/01/530897101.db2.gz BLDNRPKNIWVHIM-UHFFFAOYSA-N -1 3 380.451 0.351 20 30 GCEDHM CS(=O)(=O)N[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000531802964 530897731 /nfs/dbraw/zinc/89/77/31/530897731.db2.gz MBYGTIKTFCBPQH-WCQYABFASA-N -1 3 375.447 0.694 20 30 GCEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCc2nnnn2CC1 ZINC000333894966 530924701 /nfs/dbraw/zinc/92/47/01/530924701.db2.gz YAAGICDBLOBFBE-LLVKDONJSA-N -1 3 397.258 0.991 20 30 GCEDHM COC(=O)CCN1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1=O ZINC000501157752 530928849 /nfs/dbraw/zinc/92/88/49/530928849.db2.gz LFAKQRPZOLYFEO-LBPRGKRZSA-N -1 3 385.829 0.654 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1(CC#N)CC1 ZINC000521462892 530939682 /nfs/dbraw/zinc/93/96/82/530939682.db2.gz PRVOKCLRZITJBA-UHFFFAOYSA-N -1 3 382.467 0.803 20 30 GCEDHM C=CCn1cc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nn1 ZINC000425181513 530941483 /nfs/dbraw/zinc/94/14/83/530941483.db2.gz WXLQFONWNMPEEA-UHFFFAOYSA-N -1 3 385.471 0.193 20 30 GCEDHM CS(=O)(=O)N1CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000269843096 530949544 /nfs/dbraw/zinc/94/95/44/530949544.db2.gz CQUQHKVZIXIZDT-SNVBAGLBSA-N -1 3 377.875 0.771 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1(O)CCCC1 ZINC000516938155 530956646 /nfs/dbraw/zinc/95/66/46/530956646.db2.gz KNSKRBNEDRYFDN-UHFFFAOYSA-N -1 3 387.483 0.414 20 30 GCEDHM C=CCNC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000538529073 531034409 /nfs/dbraw/zinc/03/44/09/531034409.db2.gz PPZUBHRXZPAYEX-UHFFFAOYSA-N -1 3 391.243 0.816 20 30 GCEDHM C=CCNC(=O)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000537425431 531063165 /nfs/dbraw/zinc/06/31/65/531063165.db2.gz NZCWHVCGPICHCP-UHFFFAOYSA-N -1 3 378.204 0.938 20 30 GCEDHM CCn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H](C#N)C2)cn1 ZINC000424628444 531052765 /nfs/dbraw/zinc/05/27/65/531052765.db2.gz WZYYHYJCCCVJPO-QWHCGFSZSA-N -1 3 389.503 0.646 20 30 GCEDHM C[C@H]1C[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]C(C)(C)C#N)CO1 ZINC000515313033 531087860 /nfs/dbraw/zinc/08/78/60/531087860.db2.gz YITRHIPECBBSCW-NWDGAFQWSA-N -1 3 387.483 0.723 20 30 GCEDHM CN(CCCc1[nH]nc(N)c1C#N)C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000534289317 531093951 /nfs/dbraw/zinc/09/39/51/531093951.db2.gz WIPKGIHAOKCRLB-UHFFFAOYSA-N -1 3 382.471 0.295 20 30 GCEDHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]CC(=O)NCC#N ZINC000565236320 531182737 /nfs/dbraw/zinc/18/27/37/531182737.db2.gz XZJIYCQFOYBOLN-UHFFFAOYSA-N -1 3 380.195 0.515 20 30 GCEDHM CC[C@](C)(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000565231881 531182791 /nfs/dbraw/zinc/18/27/91/531182791.db2.gz KUALVCVGUZSHSB-AWEZNQCLSA-N -1 3 387.483 0.460 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](C)O ZINC000565726641 531189464 /nfs/dbraw/zinc/18/94/64/531189464.db2.gz VUCFKFHKINMRJT-NEPJUHHUSA-N -1 3 375.472 0.172 20 30 GCEDHM CN(CCC#N)S(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000443099900 531197240 /nfs/dbraw/zinc/19/72/40/531197240.db2.gz VIFMXNVTAZWOGK-UHFFFAOYSA-N -1 3 398.869 0.437 20 30 GCEDHM C=CCNC(=O)CN1CCN([C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735431616 598858859 /nfs/dbraw/zinc/85/88/59/598858859.db2.gz FYEBVCOXZXJDQY-QGZVFWFLSA-N -1 3 399.455 0.001 20 30 GCEDHM C=CCNC(=O)CN1CCN([C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735431616 598858861 /nfs/dbraw/zinc/85/88/61/598858861.db2.gz FYEBVCOXZXJDQY-QGZVFWFLSA-N -1 3 399.455 0.001 20 30 GCEDHM CCC[C@@H](C#N)NC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736414932 598867145 /nfs/dbraw/zinc/86/71/45/598867145.db2.gz AZIDGSHMGNJKNR-GXTWGEPZSA-N -1 3 396.411 0.880 20 30 GCEDHM CCC[C@@H](C#N)NC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736414932 598867147 /nfs/dbraw/zinc/86/71/47/598867147.db2.gz AZIDGSHMGNJKNR-GXTWGEPZSA-N -1 3 396.411 0.880 20 30 GCEDHM CCC[C@H](C#N)NC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736414935 598867359 /nfs/dbraw/zinc/86/73/59/598867359.db2.gz AZIDGSHMGNJKNR-TZMCWYRMSA-N -1 3 396.411 0.880 20 30 GCEDHM CCC[C@H](C#N)NC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736414935 598867360 /nfs/dbraw/zinc/86/73/60/598867360.db2.gz AZIDGSHMGNJKNR-TZMCWYRMSA-N -1 3 396.411 0.880 20 30 GCEDHM N#Cc1cc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)ccc1-c1nnn[n-]1 ZINC000737710249 598915458 /nfs/dbraw/zinc/91/54/58/598915458.db2.gz WBWDYFNJOOBUEB-UHFFFAOYSA-N -1 3 394.395 0.932 20 30 GCEDHM N#Cc1cc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)ccc1-c1nn[n-]n1 ZINC000737710249 598915460 /nfs/dbraw/zinc/91/54/60/598915460.db2.gz WBWDYFNJOOBUEB-UHFFFAOYSA-N -1 3 394.395 0.932 20 30 GCEDHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737166539 598918614 /nfs/dbraw/zinc/91/86/14/598918614.db2.gz RMIOBWXCTCCPQK-CYBMUJFWSA-N -1 3 375.414 0.491 20 30 GCEDHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737166539 598918615 /nfs/dbraw/zinc/91/86/15/598918615.db2.gz RMIOBWXCTCCPQK-CYBMUJFWSA-N -1 3 375.414 0.491 20 30 GCEDHM N#Cc1cc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1-c1nnn[n-]1 ZINC000737708427 598920202 /nfs/dbraw/zinc/92/02/02/598920202.db2.gz FYDAVNSMHIPSMM-KBPBESRZSA-N -1 3 379.380 0.852 20 30 GCEDHM N#Cc1cc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1-c1nn[n-]n1 ZINC000737708427 598920204 /nfs/dbraw/zinc/92/02/04/598920204.db2.gz FYDAVNSMHIPSMM-KBPBESRZSA-N -1 3 379.380 0.852 20 30 GCEDHM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736498502 598928289 /nfs/dbraw/zinc/92/82/89/598928289.db2.gz UGTZKDBDDFOYKC-CQSZACIVSA-N -1 3 389.441 0.881 20 30 GCEDHM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736498502 598928291 /nfs/dbraw/zinc/92/82/91/598928291.db2.gz UGTZKDBDDFOYKC-CQSZACIVSA-N -1 3 389.441 0.881 20 30 GCEDHM C#CCOc1ccccc1CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735387852 598963376 /nfs/dbraw/zinc/96/33/76/598963376.db2.gz IBFHHMFQSVLZOS-UHFFFAOYSA-N -1 3 390.403 0.925 20 30 GCEDHM C#CCOc1ccccc1CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735387852 598963377 /nfs/dbraw/zinc/96/33/77/598963377.db2.gz IBFHHMFQSVLZOS-UHFFFAOYSA-N -1 3 390.403 0.925 20 30 GCEDHM N#Cc1cc(C#N)c(S[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)nc1N ZINC000737705899 599012264 /nfs/dbraw/zinc/01/22/64/599012264.db2.gz ROIJWENDPRYSDB-LBPRGKRZSA-N -1 3 377.393 0.906 20 30 GCEDHM N#Cc1cc(C#N)c(S[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)nc1N ZINC000737705899 599012265 /nfs/dbraw/zinc/01/22/65/599012265.db2.gz ROIJWENDPRYSDB-LBPRGKRZSA-N -1 3 377.393 0.906 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737847866 599057149 /nfs/dbraw/zinc/05/71/49/599057149.db2.gz TYYRUAIUODTMAC-BMRADRMJSA-N -1 3 386.343 0.966 20 30 GCEDHM N#Cc1ccc(N2CCN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)nc1 ZINC000737719946 599070781 /nfs/dbraw/zinc/07/07/81/599070781.db2.gz YWKTWGZOTHLHNV-QGZVFWFLSA-N -1 3 389.423 0.482 20 30 GCEDHM N#Cc1ccc(N2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)nc1 ZINC000737719946 599070783 /nfs/dbraw/zinc/07/07/83/599070783.db2.gz YWKTWGZOTHLHNV-QGZVFWFLSA-N -1 3 389.423 0.482 20 30 GCEDHM N#Cc1cccc(OCC(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737731019 599122877 /nfs/dbraw/zinc/12/28/77/599122877.db2.gz VRMFPQZUNHCUHU-INIZCTEOSA-N -1 3 378.348 0.887 20 30 GCEDHM N#Cc1cccc(OCC(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737731019 599122878 /nfs/dbraw/zinc/12/28/78/599122878.db2.gz VRMFPQZUNHCUHU-INIZCTEOSA-N -1 3 378.348 0.887 20 30 GCEDHM N#Cc1ccc([C@H](OC(=O)COc2cccc(-c3nnn[n-]3)c2)C(N)=O)cc1 ZINC000737712569 599123218 /nfs/dbraw/zinc/12/32/18/599123218.db2.gz RKIRGJCFSIUGCN-INIZCTEOSA-N -1 3 378.348 0.887 20 30 GCEDHM N#Cc1ccc([C@H](OC(=O)COc2cccc(-c3nn[n-]n3)c2)C(N)=O)cc1 ZINC000737712569 599123219 /nfs/dbraw/zinc/12/32/19/599123219.db2.gz RKIRGJCFSIUGCN-INIZCTEOSA-N -1 3 378.348 0.887 20 30 GCEDHM CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)o1 ZINC000736770480 599194044 /nfs/dbraw/zinc/19/40/44/599194044.db2.gz LHBXKQAZDUTAPH-UHFFFAOYSA-N -1 3 387.381 0.834 20 30 GCEDHM CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)o1 ZINC000736770480 599194046 /nfs/dbraw/zinc/19/40/46/599194046.db2.gz LHBXKQAZDUTAPH-UHFFFAOYSA-N -1 3 387.381 0.834 20 30 GCEDHM CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000736658875 599197239 /nfs/dbraw/zinc/19/72/39/599197239.db2.gz LSIBLUSLOKJWHP-LLVKDONJSA-N -1 3 389.441 0.739 20 30 GCEDHM CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000736658875 599197242 /nfs/dbraw/zinc/19/72/42/599197242.db2.gz LSIBLUSLOKJWHP-LLVKDONJSA-N -1 3 389.441 0.739 20 30 GCEDHM C=CCN(C(=O)c1ncc(-c2nnn[n-]2)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000819739749 607263188 /nfs/dbraw/zinc/26/31/88/607263188.db2.gz GCAMRUHGLRGSBN-JTQLQIEISA-N -1 3 382.833 0.730 20 30 GCEDHM C=CCN(C(=O)c1ncc(-c2nn[n-]n2)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000819739749 607263189 /nfs/dbraw/zinc/26/31/89/607263189.db2.gz GCAMRUHGLRGSBN-JTQLQIEISA-N -1 3 382.833 0.730 20 30 GCEDHM N#Cc1cnccc1NC(=O)CCCC(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000737727795 599254592 /nfs/dbraw/zinc/25/45/92/599254592.db2.gz AVKLRNLUCJULIY-UHFFFAOYSA-N -1 3 377.368 0.120 20 30 GCEDHM N#Cc1cnccc1NC(=O)CCCC(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000737727795 599254594 /nfs/dbraw/zinc/25/45/94/599254594.db2.gz AVKLRNLUCJULIY-UHFFFAOYSA-N -1 3 377.368 0.120 20 30 GCEDHM C=CCNC(=O)NC(=O)[C@H](C)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735432147 598252396 /nfs/dbraw/zinc/25/23/96/598252396.db2.gz MZOQINGTAUUUHH-ZDUSSCGKSA-N -1 3 384.444 0.389 20 30 GCEDHM C=CCNC(=O)NC(=O)[C@H](C)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735432147 598252398 /nfs/dbraw/zinc/25/23/98/598252398.db2.gz MZOQINGTAUUUHH-ZDUSSCGKSA-N -1 3 384.444 0.389 20 30 GCEDHM CCCCNC(=O)NC(=O)CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000736461443 598273339 /nfs/dbraw/zinc/27/33/39/598273339.db2.gz QDWHVWCOTLQHBL-UHFFFAOYSA-N -1 3 375.418 0.434 20 30 GCEDHM CCCCNC(=O)NC(=O)CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000736461443 598273341 /nfs/dbraw/zinc/27/33/41/598273341.db2.gz QDWHVWCOTLQHBL-UHFFFAOYSA-N -1 3 375.418 0.434 20 30 GCEDHM CC(C)NC(=O)NC(=O)[C@H](C)Sc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000735887574 598273481 /nfs/dbraw/zinc/27/34/81/598273481.db2.gz CUGINFLHYHYKHF-ZETCQYMHSA-N -1 3 375.418 0.430 20 30 GCEDHM CC(C)NC(=O)NC(=O)[C@H](C)Sc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000735887574 598273483 /nfs/dbraw/zinc/27/34/83/598273483.db2.gz CUGINFLHYHYKHF-ZETCQYMHSA-N -1 3 375.418 0.430 20 30 GCEDHM N#CCc1ccc(NC(=O)CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737697712 598306098 /nfs/dbraw/zinc/30/60/98/598306098.db2.gz LRCRIXVIBJRQES-UHFFFAOYSA-N -1 3 397.420 0.850 20 30 GCEDHM N#CCc1ccc(NC(=O)CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737697712 598306100 /nfs/dbraw/zinc/30/61/00/598306100.db2.gz LRCRIXVIBJRQES-UHFFFAOYSA-N -1 3 397.420 0.850 20 30 GCEDHM N#Cc1cnn(C(=O)CCCCCC(=O)n2ncc(-c3nnn[n-]3)c2N)c1N ZINC000737728269 598320897 /nfs/dbraw/zinc/32/08/97/598320897.db2.gz KPXFNLNGNKAOFV-UHFFFAOYSA-N -1 3 383.376 0.227 20 30 GCEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC000735904113 598373784 /nfs/dbraw/zinc/37/37/84/598373784.db2.gz LCMWZWJSPFCFDR-GFCCVEGCSA-N -1 3 385.384 0.343 20 30 GCEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC000735904113 598373786 /nfs/dbraw/zinc/37/37/86/598373786.db2.gz LCMWZWJSPFCFDR-GFCCVEGCSA-N -1 3 385.384 0.343 20 30 GCEDHM CCN(C[C@H](C)C#N)C(=O)COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736514534 598409803 /nfs/dbraw/zinc/40/98/03/598409803.db2.gz ZQPYBEPXAOMWHH-GFCCVEGCSA-N -1 3 399.411 0.148 20 30 GCEDHM CCN(C[C@H](C)C#N)C(=O)COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736514534 598409804 /nfs/dbraw/zinc/40/98/04/598409804.db2.gz ZQPYBEPXAOMWHH-GFCCVEGCSA-N -1 3 399.411 0.148 20 30 GCEDHM N#CCNC(=O)CN1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000737694931 598539901 /nfs/dbraw/zinc/53/99/01/598539901.db2.gz GZDBOTROTILWNS-UHFFFAOYSA-N -1 3 377.412 0.177 20 30 GCEDHM N#CCNC(=O)CN1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000737694931 598539902 /nfs/dbraw/zinc/53/99/02/598539902.db2.gz GZDBOTROTILWNS-UHFFFAOYSA-N -1 3 377.412 0.177 20 30 GCEDHM N#CCNC(=O)COC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737694751 598541949 /nfs/dbraw/zinc/54/19/49/598541949.db2.gz DLZQCXASQZGVMC-UHFFFAOYSA-N -1 3 382.336 0.835 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCS(=O)(=O)NCC ZINC000735420763 598600182 /nfs/dbraw/zinc/60/01/82/598600182.db2.gz STYXSVRBRHCMIP-UHFFFAOYSA-N -1 3 393.473 0.504 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCS(=O)(=O)NCC ZINC000735420763 598600184 /nfs/dbraw/zinc/60/01/84/598600184.db2.gz STYXSVRBRHCMIP-UHFFFAOYSA-N -1 3 393.473 0.504 20 30 GCEDHM Cn1cc(N2CC[C@H](Sc3nc(N)c(-c4nnn[n-]4)cc3C#N)C2=O)cn1 ZINC000737610638 598641295 /nfs/dbraw/zinc/64/12/95/598641295.db2.gz PPBVBTVVODYOKG-NSHDSACASA-N -1 3 382.413 0.347 20 30 GCEDHM Cn1cc(N2CC[C@H](Sc3nc(N)c(-c4nn[n-]n4)cc3C#N)C2=O)cn1 ZINC000737610638 598641296 /nfs/dbraw/zinc/64/12/96/598641296.db2.gz PPBVBTVVODYOKG-NSHDSACASA-N -1 3 382.413 0.347 20 30 GCEDHM C[C@H](CNC(=O)c1ccc(C#N)cn1)N(C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736020039 598692390 /nfs/dbraw/zinc/69/23/90/598692390.db2.gz KUEZHPCVXYANLZ-LLVKDONJSA-N -1 3 391.395 0.419 20 30 GCEDHM C[C@H](CNC(=O)c1ccc(C#N)cn1)N(C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736020039 598692392 /nfs/dbraw/zinc/69/23/92/598692392.db2.gz KUEZHPCVXYANLZ-LLVKDONJSA-N -1 3 391.395 0.419 20 30 GCEDHM C[C@H](NC(=O)NCCNC(=O)C1N=CC=CC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736119939 598729042 /nfs/dbraw/zinc/72/90/42/598729042.db2.gz XBZKROMMWIUZGV-ISOHDOPZSA-N -1 3 396.411 0.753 20 30 GCEDHM N#Cc1cccc(N2CCN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000737730045 599395369 /nfs/dbraw/zinc/39/53/69/599395369.db2.gz DZEQDAAQUJQYCN-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM N#Cc1cccc(N2CCN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000737730045 599395373 /nfs/dbraw/zinc/39/53/73/599395373.db2.gz DZEQDAAQUJQYCN-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826407260 607375461 /nfs/dbraw/zinc/37/54/61/607375461.db2.gz HAWDMRLAUHLARF-FBMGVBCBSA-N -1 3 396.363 0.509 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826407260 607375463 /nfs/dbraw/zinc/37/54/63/607375463.db2.gz HAWDMRLAUHLARF-FBMGVBCBSA-N -1 3 396.363 0.509 20 30 GCEDHM N#Cc1ccc(C(=O)NCC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822822782 599469902 /nfs/dbraw/zinc/46/99/02/599469902.db2.gz FIDSTQSLMZTBFG-UHFFFAOYSA-N -1 3 391.391 0.663 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000819745438 599530656 /nfs/dbraw/zinc/53/06/56/599530656.db2.gz CWSFTEVCSPMQAE-JTQLQIEISA-N -1 3 383.368 0.021 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000819745438 599530658 /nfs/dbraw/zinc/53/06/58/599530658.db2.gz CWSFTEVCSPMQAE-JTQLQIEISA-N -1 3 383.368 0.021 20 30 GCEDHM N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000822806554 599605139 /nfs/dbraw/zinc/60/51/39/599605139.db2.gz POLYWHAVENTLAU-SECBINFHSA-N -1 3 395.301 0.575 20 30 GCEDHM N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000822806554 599605140 /nfs/dbraw/zinc/60/51/40/599605140.db2.gz POLYWHAVENTLAU-SECBINFHSA-N -1 3 395.301 0.575 20 30 GCEDHM N#Cc1ccc(OCCNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822832409 599611945 /nfs/dbraw/zinc/61/19/45/599611945.db2.gz AGFAUKYGIRDZTB-UHFFFAOYSA-N -1 3 377.364 0.872 20 30 GCEDHM N#Cc1ccc(OCCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822832409 599611947 /nfs/dbraw/zinc/61/19/47/599611947.db2.gz AGFAUKYGIRDZTB-UHFFFAOYSA-N -1 3 377.364 0.872 20 30 GCEDHM COc1ccc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000826197524 607583019 /nfs/dbraw/zinc/58/30/19/607583019.db2.gz SEWJTLIDXYBORN-UHFFFAOYSA-N -1 3 391.391 0.793 20 30 GCEDHM COc1ccc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000826197524 607583020 /nfs/dbraw/zinc/58/30/20/607583020.db2.gz SEWJTLIDXYBORN-UHFFFAOYSA-N -1 3 391.391 0.793 20 30 GCEDHM COc1ccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000826197617 607583354 /nfs/dbraw/zinc/58/33/54/607583354.db2.gz WTHPMWSGTFPTPM-UHFFFAOYSA-N -1 3 391.391 0.793 20 30 GCEDHM COc1ccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000826197617 607583356 /nfs/dbraw/zinc/58/33/56/607583356.db2.gz WTHPMWSGTFPTPM-UHFFFAOYSA-N -1 3 391.391 0.793 20 30 GCEDHM COc1ccc(CNC(=O)CCNC(=O)C2N=CC=CC2=O)cc1-c1nnn[n-]1 ZINC000826196548 607627509 /nfs/dbraw/zinc/62/75/09/607627509.db2.gz GHMDBMSQPLFJIO-VLGSPTGOSA-N -1 3 397.395 0.408 20 30 GCEDHM COc1ccc(CNC(=O)CCNC(=O)C2N=CC=CC2=O)cc1-c1nn[n-]n1 ZINC000826196548 607627510 /nfs/dbraw/zinc/62/75/10/607627510.db2.gz GHMDBMSQPLFJIO-VLGSPTGOSA-N -1 3 397.395 0.408 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)CCOCCOC ZINC000823914658 607740298 /nfs/dbraw/zinc/74/02/98/607740298.db2.gz LCPLVQXHRVJWCT-UHFFFAOYSA-N -1 3 381.458 0.848 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)CCOCCOC ZINC000823914658 607740299 /nfs/dbraw/zinc/74/02/99/607740299.db2.gz LCPLVQXHRVJWCT-UHFFFAOYSA-N -1 3 381.458 0.848 20 30 GCEDHM N#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[nH]1 ZINC000826384491 607743162 /nfs/dbraw/zinc/74/31/62/607743162.db2.gz XSZAZZXLAQZICJ-CMPLNLGQSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[nH]1 ZINC000826384491 607743163 /nfs/dbraw/zinc/74/31/63/607743163.db2.gz XSZAZZXLAQZICJ-CMPLNLGQSA-N -1 3 393.411 0.723 20 30 GCEDHM C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)[C@@H](C)CN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826232451 607757209 /nfs/dbraw/zinc/75/72/09/607757209.db2.gz NFDXFWHFSOWPPP-WDEREUQCSA-N -1 3 393.411 0.770 20 30 GCEDHM C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)[C@@H](C)CN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826232451 607757210 /nfs/dbraw/zinc/75/72/10/607757210.db2.gz NFDXFWHFSOWPPP-WDEREUQCSA-N -1 3 393.411 0.770 20 30 GCEDHM COC(=O)[C@@H]1CCN(C[C@H](O)COc2ccc(CC#N)cc2)[C@@H](C(=O)[O-])C1 ZINC000833709158 605692755 /nfs/dbraw/zinc/69/27/55/605692755.db2.gz RBZCTFAATBFUAT-HLLBOEOZSA-N -1 3 376.409 0.831 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822968853 606022554 /nfs/dbraw/zinc/02/25/54/606022554.db2.gz CAOYZCVNQGPYPH-VLGSPTGOSA-N -1 3 397.395 0.278 20 30 GCEDHM N#CCCN(CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)CCN1CCOCC1 ZINC000822811351 606191125 /nfs/dbraw/zinc/19/11/25/606191125.db2.gz XDRRBKFZMMQHEU-UHFFFAOYSA-N -1 3 398.471 0.743 20 30 GCEDHM N#CCCN(CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)CCN1CCOCC1 ZINC000822811351 606191126 /nfs/dbraw/zinc/19/11/26/606191126.db2.gz XDRRBKFZMMQHEU-UHFFFAOYSA-N -1 3 398.471 0.743 20 30 GCEDHM C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820744270 606298734 /nfs/dbraw/zinc/29/87/34/606298734.db2.gz XQTQWUHCGHFKDH-SNVBAGLBSA-N -1 3 379.384 0.381 20 30 GCEDHM C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820744270 606298735 /nfs/dbraw/zinc/29/87/35/606298735.db2.gz XQTQWUHCGHFKDH-SNVBAGLBSA-N -1 3 379.384 0.381 20 30 GCEDHM C=CCn1nnnc1S[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000819763772 606310436 /nfs/dbraw/zinc/31/04/36/606310436.db2.gz CXDNBKXZAPWICW-SECBINFHSA-N -1 3 375.443 0.998 20 30 GCEDHM C=CCn1nnnc1S[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000819763772 606310438 /nfs/dbraw/zinc/31/04/38/606310438.db2.gz CXDNBKXZAPWICW-SECBINFHSA-N -1 3 375.443 0.998 20 30 GCEDHM C#CCNC(=O)C1CCN([C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819702390 606316925 /nfs/dbraw/zinc/31/69/25/606316925.db2.gz YTXMWMADJLDBIE-INIZCTEOSA-N -1 3 382.424 0.542 20 30 GCEDHM C#CCNC(=O)C1CCN([C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819702390 606316927 /nfs/dbraw/zinc/31/69/27/606316927.db2.gz YTXMWMADJLDBIE-INIZCTEOSA-N -1 3 382.424 0.542 20 30 GCEDHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(C#N)c[nH]1 ZINC000820056311 606321100 /nfs/dbraw/zinc/32/11/00/606321100.db2.gz OXUSPMCVGUMMGH-CYBMUJFWSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(C#N)c[nH]1 ZINC000820056311 606321103 /nfs/dbraw/zinc/32/11/03/606321103.db2.gz OXUSPMCVGUMMGH-CYBMUJFWSA-N -1 3 395.427 0.969 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000822806951 606343516 /nfs/dbraw/zinc/34/35/16/606343516.db2.gz XHYUETOVVLZNGU-QMMMGPOBSA-N -1 3 388.331 0.799 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000822806951 606343517 /nfs/dbraw/zinc/34/35/17/606343517.db2.gz XHYUETOVVLZNGU-QMMMGPOBSA-N -1 3 388.331 0.799 20 30 GCEDHM N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000822819268 606363327 /nfs/dbraw/zinc/36/33/27/606363327.db2.gz NUTQCWHZZHXRMS-WCQYABFASA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822819268 606363329 /nfs/dbraw/zinc/36/33/29/606363329.db2.gz NUTQCWHZZHXRMS-WCQYABFASA-N -1 3 393.411 0.723 20 30 GCEDHM Cn1c(=O)c(=Cc2ccc(-c3nnn[n-]3)s2)sc1=C(C#N)C(=O)C1CCC1 ZINC000822590084 606372670 /nfs/dbraw/zinc/37/26/70/606372670.db2.gz HNYSSIDPISHCQO-UHFFFAOYSA-N -1 3 398.473 0.561 20 30 GCEDHM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)[C@H](C#N)C1 ZINC000819933193 606590116 /nfs/dbraw/zinc/59/01/16/606590116.db2.gz JHSHONBYTRZVLU-GFCCVEGCSA-N -1 3 384.400 0.847 20 30 GCEDHM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)[C@H](C#N)C1 ZINC000819933193 606590117 /nfs/dbraw/zinc/59/01/17/606590117.db2.gz JHSHONBYTRZVLU-GFCCVEGCSA-N -1 3 384.400 0.847 20 30 GCEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000822627328 606641118 /nfs/dbraw/zinc/64/11/18/606641118.db2.gz LXJGSMIBCHRDCJ-GFCCVEGCSA-N -1 3 386.416 0.790 20 30 GCEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000822627328 606641119 /nfs/dbraw/zinc/64/11/19/606641119.db2.gz LXJGSMIBCHRDCJ-GFCCVEGCSA-N -1 3 386.416 0.790 20 30 GCEDHM CN(CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000821601505 606702500 /nfs/dbraw/zinc/70/25/00/606702500.db2.gz KYPBJJZQZJLXAA-UHFFFAOYSA-N -1 3 386.445 0.608 20 30 GCEDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCC1CCN(CC#N)CC1 ZINC000822224180 606749735 /nfs/dbraw/zinc/74/97/35/606749735.db2.gz YWDDOMLEQNVCPY-UHFFFAOYSA-N -1 3 375.458 0.689 20 30 GCEDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCC1CCN(CC#N)CC1 ZINC000822224180 606749737 /nfs/dbraw/zinc/74/97/37/606749737.db2.gz YWDDOMLEQNVCPY-UHFFFAOYSA-N -1 3 375.458 0.689 20 30 GCEDHM C=C[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819729171 606813826 /nfs/dbraw/zinc/81/38/26/606813826.db2.gz DVAPTCJGAXTAAY-LBPRGKRZSA-N -1 3 390.469 0.958 20 30 GCEDHM C=C[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819729171 606813827 /nfs/dbraw/zinc/81/38/27/606813827.db2.gz DVAPTCJGAXTAAY-LBPRGKRZSA-N -1 3 390.469 0.958 20 30 GCEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1nc(-c2nc[nH]n2)no1 ZINC000820556181 606819900 /nfs/dbraw/zinc/81/99/00/606819900.db2.gz SPRLMKISBYKQKM-YFKPBYRVSA-N -1 3 382.373 0.737 20 30 GCEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1nc(-c2nc[nH]n2)no1 ZINC000820556181 606819901 /nfs/dbraw/zinc/81/99/01/606819901.db2.gz SPRLMKISBYKQKM-YFKPBYRVSA-N -1 3 382.373 0.737 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CCN1C1CC1 ZINC000822805924 606844571 /nfs/dbraw/zinc/84/45/71/606844571.db2.gz GVYXOQMIJKHXPO-GFCCVEGCSA-N -1 3 377.405 0.367 20 30 GCEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820803941 606911214 /nfs/dbraw/zinc/91/12/14/606911214.db2.gz JZGLVCZPDYLCNB-CXAGYDPISA-N -1 3 391.439 0.772 20 30 GCEDHM C=CCNC(=O)CN1CCN(c2nnc(CC)c(CC)c2-c2nnn[n-]2)CC1 ZINC000819750652 606918456 /nfs/dbraw/zinc/91/84/56/606918456.db2.gz IMIKHLRKEAHKGS-UHFFFAOYSA-N -1 3 385.476 0.206 20 30 GCEDHM C=CCNC(=O)CN1CCN(c2nnc(CC)c(CC)c2-c2nn[n-]n2)CC1 ZINC000819750652 606918458 /nfs/dbraw/zinc/91/84/58/606918458.db2.gz IMIKHLRKEAHKGS-UHFFFAOYSA-N -1 3 385.476 0.206 20 30 GCEDHM C#CCN(CCCOc1cccc(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000819701747 606924151 /nfs/dbraw/zinc/92/41/51/606924151.db2.gz LYAURNIETJHENJ-HNNXBMFYSA-N -1 3 375.454 0.758 20 30 GCEDHM C#CCN(CCCOc1cccc(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000819701747 606924153 /nfs/dbraw/zinc/92/41/53/606924153.db2.gz LYAURNIETJHENJ-HNNXBMFYSA-N -1 3 375.454 0.758 20 30 GCEDHM CCc1nnc(NCCNC(=O)C2N=CC=CC2=O)c(-c2nnn[n-]2)c1CC ZINC000821542670 606933968 /nfs/dbraw/zinc/93/39/68/606933968.db2.gz WVEOGTKVCKWASS-SAPNQHFASA-N -1 3 383.416 0.720 20 30 GCEDHM CCc1nnc(NCCNC(=O)C2N=CC=CC2=O)c(-c2nn[n-]n2)c1CC ZINC000821542670 606933969 /nfs/dbraw/zinc/93/39/69/606933969.db2.gz WVEOGTKVCKWASS-SAPNQHFASA-N -1 3 383.416 0.720 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(CC#N)C1CC1 ZINC000820437595 607000007 /nfs/dbraw/zinc/00/00/07/607000007.db2.gz AFQHDBUPIBPEOV-JTQLQIEISA-N -1 3 375.414 0.048 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(CC#N)C1CC1 ZINC000820437595 607000009 /nfs/dbraw/zinc/00/00/09/607000009.db2.gz AFQHDBUPIBPEOV-JTQLQIEISA-N -1 3 375.414 0.048 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1(C#N)CCC1 ZINC000820445556 607008960 /nfs/dbraw/zinc/00/89/60/607008960.db2.gz QVWGYNOVPAPFTC-JTQLQIEISA-N -1 3 375.414 0.096 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1(C#N)CCC1 ZINC000820445556 607008962 /nfs/dbraw/zinc/00/89/62/607008962.db2.gz QVWGYNOVPAPFTC-JTQLQIEISA-N -1 3 375.414 0.096 20 30 GCEDHM CCC[C@@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821009033 607018678 /nfs/dbraw/zinc/01/86/78/607018678.db2.gz NBCXMTRPIAZAOI-JQWIXIFHSA-N -1 3 377.430 0.342 20 30 GCEDHM CCC[C@@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821009033 607018680 /nfs/dbraw/zinc/01/86/80/607018680.db2.gz NBCXMTRPIAZAOI-JQWIXIFHSA-N -1 3 377.430 0.342 20 30 GCEDHM CC(C)C[C@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820051073 607019795 /nfs/dbraw/zinc/01/97/95/607019795.db2.gz KPLKHGGGFZOBPA-DGCLKSJQSA-N -1 3 391.457 0.588 20 30 GCEDHM CC(C)C[C@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820051073 607019797 /nfs/dbraw/zinc/01/97/97/607019797.db2.gz KPLKHGGGFZOBPA-DGCLKSJQSA-N -1 3 391.457 0.588 20 30 GCEDHM CC(C)[C@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820438596 607024081 /nfs/dbraw/zinc/02/40/81/607024081.db2.gz SQHCIRJHHHYKLB-MFKMUULPSA-N -1 3 377.430 0.198 20 30 GCEDHM CC(C)[C@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820438596 607024082 /nfs/dbraw/zinc/02/40/82/607024082.db2.gz SQHCIRJHHHYKLB-MFKMUULPSA-N -1 3 377.430 0.198 20 30 GCEDHM C=CCCCN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819740188 607039845 /nfs/dbraw/zinc/03/98/45/607039845.db2.gz SKURASTZLUTLPM-LBPRGKRZSA-N -1 3 378.458 0.958 20 30 GCEDHM C=CCCCN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819740188 607039847 /nfs/dbraw/zinc/03/98/47/607039847.db2.gz SKURASTZLUTLPM-LBPRGKRZSA-N -1 3 378.458 0.958 20 30 GCEDHM C#CCSCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819709811 607042395 /nfs/dbraw/zinc/04/23/95/607042395.db2.gz QBHUYUSTPMXDCN-LLVKDONJSA-N -1 3 394.482 0.016 20 30 GCEDHM C#CCSCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819709811 607042396 /nfs/dbraw/zinc/04/23/96/607042396.db2.gz QBHUYUSTPMXDCN-LLVKDONJSA-N -1 3 394.482 0.016 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000820438588 607053734 /nfs/dbraw/zinc/05/37/34/607053734.db2.gz SLHURPWBQGUPLZ-JKOKRWQUSA-N -1 3 389.441 0.342 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000820438588 607053736 /nfs/dbraw/zinc/05/37/36/607053736.db2.gz SLHURPWBQGUPLZ-JKOKRWQUSA-N -1 3 389.441 0.342 20 30 GCEDHM CC(C)[C@H](C#N)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820451535 607082748 /nfs/dbraw/zinc/08/27/48/607082748.db2.gz VQODZWXJOFGXGR-MFKMUULPSA-N -1 3 378.414 0.625 20 30 GCEDHM CC(C)[C@H](C#N)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820451535 607082751 /nfs/dbraw/zinc/08/27/51/607082751.db2.gz VQODZWXJOFGXGR-MFKMUULPSA-N -1 3 378.414 0.625 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC1(C#N)CCC1 ZINC000820446340 607091859 /nfs/dbraw/zinc/09/18/59/607091859.db2.gz UXQGLBWMNNYQGT-SNVBAGLBSA-N -1 3 376.398 0.523 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC1(C#N)CCC1 ZINC000820446340 607091860 /nfs/dbraw/zinc/09/18/60/607091860.db2.gz UXQGLBWMNNYQGT-SNVBAGLBSA-N -1 3 376.398 0.523 20 30 GCEDHM N#CCN1CCC(NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000822810337 607181956 /nfs/dbraw/zinc/18/19/56/607181956.db2.gz FRNNVSXMSLHFJW-UHFFFAOYSA-N -1 3 388.819 0.563 20 30 GCEDHM N#CCN1CCC(NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000822810337 607181957 /nfs/dbraw/zinc/18/19/57/607181957.db2.gz FRNNVSXMSLHFJW-UHFFFAOYSA-N -1 3 388.819 0.563 20 30 GCEDHM C=CCN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)CC(=O)OCC ZINC000823903427 607827859 /nfs/dbraw/zinc/82/78/59/607827859.db2.gz AEYDIECALMQZOK-UHFFFAOYSA-N -1 3 379.442 0.692 20 30 GCEDHM C=CCN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)CC(=O)OCC ZINC000823903427 607827860 /nfs/dbraw/zinc/82/78/60/607827860.db2.gz AEYDIECALMQZOK-UHFFFAOYSA-N -1 3 379.442 0.692 20 30 GCEDHM C=CCCOCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823899188 607944598 /nfs/dbraw/zinc/94/45/98/607944598.db2.gz OVIOECZCXSJVEV-GFCCVEGCSA-N -1 3 394.457 0.242 20 30 GCEDHM C=CCCOCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823899188 607944599 /nfs/dbraw/zinc/94/45/99/607944599.db2.gz OVIOECZCXSJVEV-GFCCVEGCSA-N -1 3 394.457 0.242 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826477346 607950612 /nfs/dbraw/zinc/95/06/12/607950612.db2.gz ALRYUZLQOIWXKJ-VLGSPTGOSA-N -1 3 379.380 0.672 20 30 GCEDHM C=C(C)[C@@H](CO)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823872837 607958280 /nfs/dbraw/zinc/95/82/80/607958280.db2.gz FBNMBJLSQSAANM-OAHLLOKOSA-N -1 3 378.458 0.110 20 30 GCEDHM C=C(C)[C@@H](CO)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823872837 607958281 /nfs/dbraw/zinc/95/82/81/607958281.db2.gz FBNMBJLSQSAANM-OAHLLOKOSA-N -1 3 378.458 0.110 20 30 GCEDHM C=C(C)[C@H](CO)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823872834 607958344 /nfs/dbraw/zinc/95/83/44/607958344.db2.gz FBNMBJLSQSAANM-HNNXBMFYSA-N -1 3 378.458 0.110 20 30 GCEDHM C=C(C)[C@H](CO)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823872834 607958345 /nfs/dbraw/zinc/95/83/45/607958345.db2.gz FBNMBJLSQSAANM-HNNXBMFYSA-N -1 3 378.458 0.110 20 30 GCEDHM C=CCNC(=O)NC(=O)[C@H](C)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823924953 608067788 /nfs/dbraw/zinc/06/77/88/608067788.db2.gz BRJFMQVEVXZMQC-SWLSCSKDSA-N -1 3 385.428 0.640 20 30 GCEDHM C=CCNC(=O)NC(=O)[C@H](C)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823924953 608067789 /nfs/dbraw/zinc/06/77/89/608067789.db2.gz BRJFMQVEVXZMQC-SWLSCSKDSA-N -1 3 385.428 0.640 20 30 GCEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000824744581 608210889 /nfs/dbraw/zinc/21/08/89/608210889.db2.gz BSPHDMZXIJVTSH-NSHDSACASA-N -1 3 395.427 0.902 20 30 GCEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000824744581 608210890 /nfs/dbraw/zinc/21/08/90/608210890.db2.gz BSPHDMZXIJVTSH-NSHDSACASA-N -1 3 395.427 0.902 20 30 GCEDHM C#Cc1cccc(NC(=O)CN(C)C(=O)CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000823861410 608219258 /nfs/dbraw/zinc/21/92/58/608219258.db2.gz HJYAXPJDYKBHRI-UHFFFAOYSA-N -1 3 390.407 0.752 20 30 GCEDHM C#Cc1cccc(NC(=O)CN(C)C(=O)CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000823861410 608219260 /nfs/dbraw/zinc/21/92/60/608219260.db2.gz HJYAXPJDYKBHRI-UHFFFAOYSA-N -1 3 390.407 0.752 20 30 GCEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000826383885 608227864 /nfs/dbraw/zinc/22/78/64/608227864.db2.gz WHKVYQSYWBJSJC-GFCCVEGCSA-N -1 3 386.441 0.445 20 30 GCEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000826383885 608227865 /nfs/dbraw/zinc/22/78/65/608227865.db2.gz WHKVYQSYWBJSJC-GFCCVEGCSA-N -1 3 386.441 0.445 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N2CCC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000826383756 608277589 /nfs/dbraw/zinc/27/75/89/608277589.db2.gz OTJIJBZYUZMGHL-GFCCVEGCSA-N -1 3 379.384 0.429 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N2CCC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000826383756 608277591 /nfs/dbraw/zinc/27/75/91/608277591.db2.gz OTJIJBZYUZMGHL-GFCCVEGCSA-N -1 3 379.384 0.429 20 30 GCEDHM C#CCN(C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000823844970 608352427 /nfs/dbraw/zinc/35/24/27/608352427.db2.gz LVIOLXZMPLFEON-SWLSCSKDSA-N -1 3 388.453 0.760 20 30 GCEDHM C#CCN(C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000823844970 608352429 /nfs/dbraw/zinc/35/24/29/608352429.db2.gz LVIOLXZMPLFEON-SWLSCSKDSA-N -1 3 388.453 0.760 20 30 GCEDHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C(=O)NC[C@H](C)C#N)c1C ZINC000826331340 608360321 /nfs/dbraw/zinc/36/03/21/608360321.db2.gz DHESHLGHENHQSH-SNVBAGLBSA-N -1 3 393.411 0.884 20 30 GCEDHM C[C@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN2CCSC[C@H]2C#N)C1=O ZINC000824843210 608397861 /nfs/dbraw/zinc/39/78/61/608397861.db2.gz BNMFQLWRYXVHRS-CXAGYDPISA-N -1 3 398.452 0.532 20 30 GCEDHM C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CCSC[C@H]2C#N)C1=O ZINC000824843210 608397862 /nfs/dbraw/zinc/39/78/62/608397862.db2.gz BNMFQLWRYXVHRS-CXAGYDPISA-N -1 3 398.452 0.532 20 30 GCEDHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN2CCSC[C@H]2C#N)C1=O ZINC000824843212 608398085 /nfs/dbraw/zinc/39/80/85/608398085.db2.gz BNMFQLWRYXVHRS-DYVFJYSZSA-N -1 3 398.452 0.532 20 30 GCEDHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CCSC[C@H]2C#N)C1=O ZINC000824843212 608398087 /nfs/dbraw/zinc/39/80/87/608398087.db2.gz BNMFQLWRYXVHRS-DYVFJYSZSA-N -1 3 398.452 0.532 20 30 GCEDHM Cn1c(=O)c(C#N)c(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n(C)c1=O ZINC000826356059 608442673 /nfs/dbraw/zinc/44/26/73/608442673.db2.gz YUMWEXLHONILSJ-UHFFFAOYSA-N -1 3 390.407 0.429 20 30 GCEDHM Cn1c(=O)c(C#N)c(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n(C)c1=O ZINC000826356059 608442675 /nfs/dbraw/zinc/44/26/75/608442675.db2.gz YUMWEXLHONILSJ-UHFFFAOYSA-N -1 3 390.407 0.429 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826407452 608449774 /nfs/dbraw/zinc/44/97/74/608449774.db2.gz NKKYJVXWJMMRRV-BMRADRMJSA-N -1 3 386.343 0.966 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826407452 608449775 /nfs/dbraw/zinc/44/97/75/608449775.db2.gz NKKYJVXWJMMRRV-BMRADRMJSA-N -1 3 386.343 0.966 20 30 GCEDHM C#C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823838334 608454784 /nfs/dbraw/zinc/45/47/84/608454784.db2.gz OHJQULNKZBKNDF-IINYFYTJSA-N -1 3 375.410 0.489 20 30 GCEDHM C#C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823838334 608454786 /nfs/dbraw/zinc/45/47/86/608454786.db2.gz OHJQULNKZBKNDF-IINYFYTJSA-N -1 3 375.410 0.489 20 30 GCEDHM O=C1NC(=O)C2(CCC(N=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)CC2)N1 ZINC000826482251 608536809 /nfs/dbraw/zinc/53/68/09/608536809.db2.gz XOADPKFLEHOHQG-UHFFFAOYSA-N -1 3 375.780 0.835 20 30 GCEDHM O=C1NC(=O)C2(CCC(N=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)CC2)N1 ZINC000826482251 608536810 /nfs/dbraw/zinc/53/68/10/608536810.db2.gz XOADPKFLEHOHQG-UHFFFAOYSA-N -1 3 375.780 0.835 20 30 GCEDHM C=CCNC(=O)CNC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000823919638 609182792 /nfs/dbraw/zinc/18/27/92/609182792.db2.gz LXPXDFMJCIUNIY-UHFFFAOYSA-N -1 3 375.458 0.701 20 30 GCEDHM C=CCNC(=O)CNC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000823919638 609182793 /nfs/dbraw/zinc/18/27/93/609182793.db2.gz LXPXDFMJCIUNIY-UHFFFAOYSA-N -1 3 375.458 0.701 20 30 GCEDHM C=CCNC(=O)CNC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823919510 609188982 /nfs/dbraw/zinc/18/89/82/609188982.db2.gz JHSNWFJSSVRLCK-UHFFFAOYSA-N -1 3 385.428 0.722 20 30 GCEDHM C=CCNC(=O)CNC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823919696 609191889 /nfs/dbraw/zinc/19/18/89/609191889.db2.gz NLPZBGURUHUMEJ-UHFFFAOYSA-N -1 3 384.444 0.391 20 30 GCEDHM C=CCNC(=O)CNC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823919696 609191891 /nfs/dbraw/zinc/19/18/91/609191891.db2.gz NLPZBGURUHUMEJ-UHFFFAOYSA-N -1 3 384.444 0.391 20 30 GCEDHM C=CC[C@@H](CO)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823887984 609203515 /nfs/dbraw/zinc/20/35/15/609203515.db2.gz CJZSWIOKDRWNHK-CJNGLKHVSA-N -1 3 399.455 0.846 20 30 GCEDHM C=CC[C@@H](CO)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823887984 609203516 /nfs/dbraw/zinc/20/35/16/609203516.db2.gz CJZSWIOKDRWNHK-CJNGLKHVSA-N -1 3 399.455 0.846 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823850485 609264942 /nfs/dbraw/zinc/26/49/42/609264942.db2.gz PCCSCPNLYXCLHF-SJORKVTESA-N -1 3 393.451 0.576 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823850485 609264943 /nfs/dbraw/zinc/26/49/43/609264943.db2.gz PCCSCPNLYXCLHF-SJORKVTESA-N -1 3 393.451 0.576 20 30 GCEDHM Cn1cc(C#N)c(=O)n(Cc2ccc(-c3nnn[n-]3)cc2Br)c1=O ZINC000826358283 609307917 /nfs/dbraw/zinc/30/79/17/609307917.db2.gz NGEGRKLSBSNWBT-UHFFFAOYSA-N -1 3 388.185 0.410 20 30 GCEDHM Cn1cc(C#N)c(=O)n(Cc2ccc(-c3nn[n-]n3)cc2Br)c1=O ZINC000826358283 609307918 /nfs/dbraw/zinc/30/79/18/609307918.db2.gz NGEGRKLSBSNWBT-UHFFFAOYSA-N -1 3 388.185 0.410 20 30 GCEDHM N#Cc1ncn(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)n1 ZINC000826388295 609313759 /nfs/dbraw/zinc/31/37/59/609313759.db2.gz QTSLUOFIWVJJLY-UHFFFAOYSA-N -1 3 379.319 0.293 20 30 GCEDHM C=CCNC(=O)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000823920158 609357232 /nfs/dbraw/zinc/35/72/32/609357232.db2.gz YLKAUJQWRMFKTJ-UHFFFAOYSA-N -1 3 385.363 0.615 20 30 GCEDHM N#C[C@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CCO1 ZINC000826380708 609358941 /nfs/dbraw/zinc/35/89/41/609358941.db2.gz KBMSTAVFTPWVJR-JTQLQIEISA-N -1 3 383.347 0.948 20 30 GCEDHM CC(C)(C#N)CNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000824059229 609413461 /nfs/dbraw/zinc/41/34/61/609413461.db2.gz PPOKADKNARXVOJ-UHFFFAOYSA-N -1 3 394.399 0.111 20 30 GCEDHM CC(C)(C#N)CNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000824059229 609413462 /nfs/dbraw/zinc/41/34/62/609413462.db2.gz PPOKADKNARXVOJ-UHFFFAOYSA-N -1 3 394.399 0.111 20 30 GCEDHM N#Cc1ccc([C@@H](O)C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826384622 609629611 /nfs/dbraw/zinc/62/96/11/609629611.db2.gz COXWAWVUKONWHS-CABCVRRESA-N -1 3 378.348 0.542 20 30 GCEDHM N#Cc1ccc([C@@H](O)C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826384622 609629612 /nfs/dbraw/zinc/62/96/12/609629612.db2.gz COXWAWVUKONWHS-CABCVRRESA-N -1 3 378.348 0.542 20 30 GCEDHM N#Cc1ccc(NC(=O)COC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826385307 609634344 /nfs/dbraw/zinc/63/43/44/609634344.db2.gz GEPCHTCSPATIHL-MRXNPFEDSA-N -1 3 378.348 0.954 20 30 GCEDHM N#Cc1ccc(NC(=O)COC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826385307 609634346 /nfs/dbraw/zinc/63/43/46/609634346.db2.gz GEPCHTCSPATIHL-MRXNPFEDSA-N -1 3 378.348 0.954 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCS(=O)(=O)C2CC2)ccc1F ZINC000840524524 638477719 /nfs/dbraw/zinc/47/77/19/638477719.db2.gz QVBQHMONYZTDBV-UHFFFAOYSA-N -1 3 390.458 0.597 20 30 GCEDHM Cn1cc(S(=O)(=O)[N-]CC2CCN(CC#N)CC2)c(Br)n1 ZINC000866959146 639162633 /nfs/dbraw/zinc/16/26/33/639162633.db2.gz AYSPRQFHTTWTMG-UHFFFAOYSA-N -1 3 376.280 0.696 20 30 GCEDHM C=C(C)COCC[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866964716 639165205 /nfs/dbraw/zinc/16/52/05/639165205.db2.gz ORLZTECLUCGUGS-UHFFFAOYSA-N -1 3 385.227 0.896 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)ccc1F ZINC000733956564 639989046 /nfs/dbraw/zinc/98/90/46/639989046.db2.gz NSYJRQSLSVAJGU-GFCCVEGCSA-N -1 3 390.458 0.597 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC[S@@](C)=O ZINC000735052705 640011864 /nfs/dbraw/zinc/01/18/64/640011864.db2.gz YBZQTOWANSKLLE-RKNYENMMSA-N -1 3 385.511 0.635 20 30 GCEDHM C[C@H](CC(=O)N[C@H](C)CS(C)(=O)=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742677368 640248955 /nfs/dbraw/zinc/24/89/55/640248955.db2.gz YIJXGOIEXMLVLQ-GHMZBOCLSA-N -1 3 387.483 0.053 20 30 GCEDHM C[C@H](CC(=O)N[C@H](C)CC[S@@](C)=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000748369925 640324550 /nfs/dbraw/zinc/32/45/50/640324550.db2.gz HUVZWSQOXJXREP-DNLDONJPSA-N -1 3 385.511 0.777 20 30 GCEDHM C#CCCN1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000749850097 640353238 /nfs/dbraw/zinc/35/32/38/640353238.db2.gz LHNLSCPZSGUMTR-UHFFFAOYSA-N -1 3 375.903 0.847 20 30 GCEDHM C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2csnc2C(=O)OC)c1 ZINC000751021182 640372473 /nfs/dbraw/zinc/37/24/73/640372473.db2.gz OCUGMJUJGUOTLK-UHFFFAOYSA-N -1 3 379.419 0.828 20 30 GCEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1cccc(Br)n1)C(=O)OC ZINC000872482358 641472556 /nfs/dbraw/zinc/47/25/56/641472556.db2.gz UUIHORZKEWVRPK-SECBINFHSA-N -1 3 379.232 0.867 20 30 GCEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)OC ZINC000795399899 641517684 /nfs/dbraw/zinc/51/76/84/641517684.db2.gz AWZRSTUIYVOMEN-VIFPVBQESA-N -1 3 392.817 0.544 20 30 GCEDHM C#CCC[C@H](O)C[N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC ZINC000798486346 641587598 /nfs/dbraw/zinc/58/75/98/641587598.db2.gz PXAZGXGIDXCVCP-VIFPVBQESA-N -1 3 375.424 0.374 20 30 GCEDHM C#C[C@H]([N-]S(=O)(=O)c1cnn2cc(Br)cnc12)[C@H]1CCCO1 ZINC000882082712 641690480 /nfs/dbraw/zinc/69/04/80/641690480.db2.gz RBJJGPGTAFWLOS-WDEREUQCSA-N -1 3 385.243 0.951 20 30 GCEDHM C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000882845133 641744509 /nfs/dbraw/zinc/74/45/09/641744509.db2.gz IAVPCTVIVSKUJR-QMMMGPOBSA-N -1 3 385.227 0.630 20 30 GCEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)OC ZINC000814392090 641809178 /nfs/dbraw/zinc/80/91/78/641809178.db2.gz BTCAXTIGZWTJDX-SECBINFHSA-N -1 3 375.790 0.899 20 30 GCEDHM O=C(CNC(=O)c1ccc(Br)s1)N[C@@H]1CCCN([O-])C1=O ZINC000816753580 641864698 /nfs/dbraw/zinc/86/46/98/641864698.db2.gz LKWPBVAVXKUAOV-SSDOTTSWSA-N -1 3 376.232 0.737 20 30 GCEDHM O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)N[C@@H]1CCCN([O-])C1=O ZINC000816759912 641864887 /nfs/dbraw/zinc/86/48/87/641864887.db2.gz XIFISVPIEXYQHK-GFCCVEGCSA-N -1 3 377.369 0.130 20 30 GCEDHM CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000816752472 641864901 /nfs/dbraw/zinc/86/49/01/641864901.db2.gz FDLFEGOHCGCCAS-GFCCVEGCSA-N -1 3 375.834 0.700 20 30 GCEDHM NS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000820477136 641960949 /nfs/dbraw/zinc/96/09/49/641960949.db2.gz UZXCIXMUEQHAAI-SNVBAGLBSA-N -1 3 392.231 0.207 20 30 GCEDHM C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823932128 642032416 /nfs/dbraw/zinc/03/24/16/642032416.db2.gz PHECMWIQYWZRIP-UHFFFAOYSA-N -1 3 391.862 0.399 20 30 GCEDHM C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823932128 642032428 /nfs/dbraw/zinc/03/24/28/642032428.db2.gz PHECMWIQYWZRIP-UHFFFAOYSA-N -1 3 391.862 0.399 20 30 GCEDHM C=CCS(=O)(=O)CC[N-]S(=O)(=O)Cc1ncsc1Br ZINC000867087023 642204364 /nfs/dbraw/zinc/20/43/64/642204364.db2.gz ASVWQHMIUBWPFQ-UHFFFAOYSA-N -1 3 389.318 0.926 20 30 GCEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1cn(C)nc1Br)C(=O)OC ZINC000867220049 642266213 /nfs/dbraw/zinc/26/62/13/642266213.db2.gz DWSVORVRFWNEOG-MRVPVSSYSA-N -1 3 382.236 0.205 20 30 GCEDHM Cn1ncc(S(=O)(=O)[N-]CC2(CC#N)CC2)c1I ZINC000867220869 642266738 /nfs/dbraw/zinc/26/67/38/642266738.db2.gz JXXBHVBDBIKPOF-UHFFFAOYSA-N -1 3 380.211 0.997 20 30 GCEDHM C#CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000840948777 642288567 /nfs/dbraw/zinc/28/85/67/642288567.db2.gz KIWJBGMJVZHMID-UHFFFAOYSA-N -1 3 385.511 0.778 20 30 GCEDHM C[C@H](CC(=O)N1CC[C@@](O)(CC#N)C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000844015058 642388483 /nfs/dbraw/zinc/38/84/83/642388483.db2.gz BXMXJQGJFCMPKU-ABAIWWIYSA-N -1 3 386.861 0.669 20 30 GCEDHM CC(C)NS(=O)(=O)c1ccc(=N[N-]S(=O)(=O)CCC(C)(C)C#N)[nH]c1 ZINC000844648511 642405061 /nfs/dbraw/zinc/40/50/61/642405061.db2.gz UWOAUICZGVXIIR-UHFFFAOYSA-N -1 3 389.503 0.954 20 30 GCEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867367705 642408199 /nfs/dbraw/zinc/40/81/99/642408199.db2.gz HKTQRTCOTOQFTK-QMMMGPOBSA-N -1 3 385.227 0.630 20 30 GCEDHM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H]1CCCN(O)C1=O ZINC000848138567 642528689 /nfs/dbraw/zinc/52/86/89/642528689.db2.gz RZKCWBMZWGXCGC-SNVBAGLBSA-N -1 3 396.252 0.768 20 30 GCEDHM NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1Br ZINC000848135581 642528751 /nfs/dbraw/zinc/52/87/51/642528751.db2.gz OKQDFUGBPOPUID-VIFPVBQESA-N -1 3 392.231 0.207 20 30 GCEDHM CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1Br ZINC000848136254 642528798 /nfs/dbraw/zinc/52/87/98/642528798.db2.gz VANVAVXTXWFOCW-JTQLQIEISA-N -1 3 391.243 0.963 20 30 GCEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000848137674 642528856 /nfs/dbraw/zinc/52/88/56/642528856.db2.gz FEIUCXWLPHRGJM-RYUDHWBXSA-N -1 3 387.483 0.788 20 30 GCEDHM C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cnn(CC)c1 ZINC000848960119 642579942 /nfs/dbraw/zinc/57/99/42/642579942.db2.gz WEUXDVXNBAUICC-UHFFFAOYSA-N -1 3 376.504 0.708 20 30 GCEDHM C#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1c(C)n[nH]c1C(F)F ZINC000848961558 642586024 /nfs/dbraw/zinc/58/60/24/642586024.db2.gz BRQQTOUQZSBDMJ-UHFFFAOYSA-N -1 3 384.430 0.682 20 30 GCEDHM C#CC[C@@H](CO)NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000854546974 642832883 /nfs/dbraw/zinc/83/28/83/642832883.db2.gz PBVPMUTYSZVUMY-QMMMGPOBSA-N -1 3 381.273 0.289 20 30 GCEDHM C[C@](O)(CNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc(F)cc1 ZINC000759951236 1192395776 /nfs/dbraw/zinc/39/57/76/1192395776.db2.gz CLVPENUMRDJMMF-SFHVURJKSA-N -1 3 391.424 0.888 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000154165016 1184305358 /nfs/dbraw/zinc/30/53/58/1184305358.db2.gz DHTRHUWTTUSGIR-UHFFFAOYSA-N -1 3 399.495 0.563 20 30 GCEDHM CC(C)OCCS(=O)(=O)[N-]CC(=O)O[C@H](C)C(=O)Nc1ccccc1C#N ZINC000748150119 1185090167 /nfs/dbraw/zinc/09/01/67/1185090167.db2.gz YYJBYHGAJINLBM-CYBMUJFWSA-N -1 3 397.453 0.773 20 30 GCEDHM NC(=O)[C@H]1c2ccccc2CCN1C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000370797054 1186368251 /nfs/dbraw/zinc/36/82/51/1186368251.db2.gz YHFRYQLRJOUOII-QGZVFWFLSA-N -1 3 398.444 0.336 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2(O)CC(OCC)C2)ccc1F ZINC000277825635 1186626039 /nfs/dbraw/zinc/62/60/39/1186626039.db2.gz VXLHFRWEULERND-UHFFFAOYSA-N -1 3 386.445 0.950 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)Nc1cncnc1-n1cccn1 ZINC000378470554 1189515054 /nfs/dbraw/zinc/51/50/54/1189515054.db2.gz CAANAEZMKGCQSN-UHFFFAOYSA-N -1 3 383.393 0.340 20 30 GCEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000330138256 1189747840 /nfs/dbraw/zinc/74/78/40/1189747840.db2.gz VKMOGQFRNBATHJ-SECBINFHSA-N -1 3 376.339 0.561 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1OCC ZINC000983012027 1194295649 /nfs/dbraw/zinc/29/56/49/1194295649.db2.gz FHIOOTKNSWZHQM-LUYZLQTOSA-N -1 3 390.440 0.367 20 30 GCEDHM COCCN(CCC#N)S(=O)(=O)[N-][C@H](C(=O)OC)[C@@H]1CCC[C@H](OC)C1 ZINC000516575317 1195070483 /nfs/dbraw/zinc/07/04/83/1195070483.db2.gz LVLSWWGDVCRBHJ-ILXRZTDVSA-N -1 3 391.490 0.430 20 30 GCEDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000427133082 1195509398 /nfs/dbraw/zinc/50/93/98/1195509398.db2.gz KHBNMBVGVDMZOU-UHFFFAOYSA-N -1 3 377.382 0.327 20 30 GCEDHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000427150761 1195510964 /nfs/dbraw/zinc/51/09/64/1195510964.db2.gz APVOHWRNIAQFTM-LBPRGKRZSA-N -1 3 396.363 0.912 20 30 GCEDHM CCN(C1CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1)S(C)(=O)=O ZINC000331172598 1195721913 /nfs/dbraw/zinc/72/19/13/1195721913.db2.gz ORFVPAUDNJAYEN-UHFFFAOYSA-N -1 3 398.411 0.983 20 30 GCEDHM C[C@@H](CCS(C)(=O)=O)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000331225475 1195722508 /nfs/dbraw/zinc/72/25/08/1195722508.db2.gz DXXGKGIMGGCVPS-ZDUSSCGKSA-N -1 3 383.470 0.887 20 30 GCEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N2CCN(CC#N)CC2)CCCC1 ZINC000329907105 1196237861 /nfs/dbraw/zinc/23/78/61/1196237861.db2.gz SRBFQGQXIOTSNI-UHFFFAOYSA-N -1 3 395.485 0.550 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)ccc1F ZINC000281533822 1196302649 /nfs/dbraw/zinc/30/26/49/1196302649.db2.gz XWRMYUPCSVZNHB-OCCSQVGLSA-N -1 3 397.428 0.861 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)ccc1F ZINC000281670567 1196321133 /nfs/dbraw/zinc/32/11/33/1196321133.db2.gz TUMQRMLUGSZFTN-ZIAGYGMSSA-N -1 3 399.488 0.817 20 30 GCEDHM CC(C)C[C@H]([N-]S(=O)(=O)N(C)C[C@H](C)C#N)c1nc(-c2nc[nH]n2)no1 ZINC000281789518 1196334180 /nfs/dbraw/zinc/33/41/80/1196334180.db2.gz OFVKBAZZZZDMDZ-MNOVXSKESA-N -1 3 382.450 0.868 20 30 GCEDHM C=CCNS(=O)(=O)c1cccc(C(=O)Nc2n[n-]c(CC(=O)OC)n2)c1 ZINC000522869964 1196356482 /nfs/dbraw/zinc/35/64/82/1196356482.db2.gz QLONYNXZDOPMDQ-UHFFFAOYSA-N -1 3 379.398 0.237 20 30 GCEDHM Cc1ncc(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(=O)[n-]1 ZINC000487521433 1196640302 /nfs/dbraw/zinc/64/03/02/1196640302.db2.gz VTJZLRQKNPFGBA-INIZCTEOSA-N -1 3 380.408 0.963 20 30 GCEDHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447756811 1196747451 /nfs/dbraw/zinc/74/74/51/1196747451.db2.gz HKRWNJKYLUQGLF-DOMZBBRYSA-N -1 3 378.454 0.450 20 30 GCEDHM CC(C)(C)CC[C@@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C(N)=O ZINC001128512825 1199880955 /nfs/dbraw/zinc/88/09/55/1199880955.db2.gz AABBVRBHZKUAHL-GFCCVEGCSA-N -1 3 380.470 0.522 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC[S@@](C)(=O)=NC)ccc1F ZINC001301476052 1199899996 /nfs/dbraw/zinc/89/99/96/1199899996.db2.gz RRQQWNGJGYBXKW-HSZRJFAPSA-N -1 3 377.463 0.747 20 30 GCEDHM CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)n1 ZINC000477980763 1200676849 /nfs/dbraw/zinc/67/68/49/1200676849.db2.gz CWWZEHTVIVBCCX-UHFFFAOYSA-N -1 3 384.322 0.902 20 30 GCEDHM NC(=O)[C@@H]1Cc2ccccc2N(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000727751748 1201365168 /nfs/dbraw/zinc/36/51/68/1201365168.db2.gz TZGFBNLRLZFEOQ-CYBMUJFWSA-N -1 3 398.444 0.416 20 30 GCEDHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCNC(=O)C2N=CC=CC2=O)c1 ZINC000731851461 1201504385 /nfs/dbraw/zinc/50/43/85/1201504385.db2.gz XJBNMXQRTJVMAS-CCEZHUSRSA-N -1 3 397.384 0.417 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@@H]1CCN(C)C1=O ZINC000734882132 1201665240 /nfs/dbraw/zinc/66/52/40/1201665240.db2.gz DKBDDXWYNPSCEO-UONOGXRCSA-N -1 3 393.465 0.914 20 30 GCEDHM CC(=O)Nc1ccccc1CNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000741643359 1201781702 /nfs/dbraw/zinc/78/17/02/1201781702.db2.gz IKOOCIGMICWYKF-UHFFFAOYSA-N -1 3 386.433 1.000 20 30 GCEDHM COCCN(CCOC)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742465892 1201798212 /nfs/dbraw/zinc/79/82/12/1201798212.db2.gz MENHAMFAHWHJLK-ZDUSSCGKSA-N -1 3 383.470 0.625 20 30 GCEDHM C[C@H](CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742509169 1201798444 /nfs/dbraw/zinc/79/84/44/1201798444.db2.gz FHKYZWKQUWPGCQ-BZNIZROVSA-N -1 3 399.494 0.197 20 30 GCEDHM CC(=O)N1CCCN(C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000742500134 1201798516 /nfs/dbraw/zinc/79/85/16/1201798516.db2.gz DCENTKZXYCJMOU-ZDUSSCGKSA-N -1 3 392.481 0.585 20 30 GCEDHM CCN(CC)C(=O)CN(C)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742488562 1201799016 /nfs/dbraw/zinc/79/90/16/1201799016.db2.gz DUGDIGCFTFKBQK-ZDUSSCGKSA-N -1 3 394.497 0.831 20 30 GCEDHM C[C@H](CC(=O)N1CCCC[C@H]1C(N)=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742530056 1201799681 /nfs/dbraw/zinc/79/96/81/1201799681.db2.gz SVSUBJKKOBBCNX-YPMHNXCESA-N -1 3 378.454 0.370 20 30 GCEDHM C[C@H](CC(=O)N[C@@H](C)c1nncn1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742543302 1201800101 /nfs/dbraw/zinc/80/01/01/1201800101.db2.gz FIVSOZXIRXEMGK-MNOVXSKESA-N -1 3 376.442 0.510 20 30 GCEDHM C[C@H](CC(=O)NCCc1cnn(C)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742550133 1201801063 /nfs/dbraw/zinc/80/10/63/1201801063.db2.gz FVSCJOYGZXVQHN-GFCCVEGCSA-N -1 3 375.454 0.596 20 30 GCEDHM CCN(CC)C(=O)CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742585076 1201801348 /nfs/dbraw/zinc/80/13/48/1201801348.db2.gz FVZKCFFSULUATJ-GFCCVEGCSA-N -1 3 380.470 0.488 20 30 GCEDHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742592670 1201801364 /nfs/dbraw/zinc/80/13/64/1201801364.db2.gz VQYDHFTYEHVBRY-AVGNSLFASA-N -1 3 394.497 0.923 20 30 GCEDHM CCCN(CC(=O)N(C)C)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742567822 1201801852 /nfs/dbraw/zinc/80/18/52/1201801852.db2.gz DBKHNXXZTKYIRS-ZDUSSCGKSA-N -1 3 394.497 0.831 20 30 GCEDHM CCC(CC)(NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C(N)=O ZINC000742605113 1201802350 /nfs/dbraw/zinc/80/23/50/1201802350.db2.gz YDGNSXFWQLWVTM-NSHDSACASA-N -1 3 380.470 0.664 20 30 GCEDHM CC[C@](C)(NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OC ZINC000742605832 1201802477 /nfs/dbraw/zinc/80/24/77/1201802477.db2.gz ZLJAMZXJUZOULP-DIFFPNOSSA-N -1 3 381.454 0.962 20 30 GCEDHM C[C@@H](CC(=O)NCCNC(=O)C(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742606442 1201802572 /nfs/dbraw/zinc/80/25/72/1201802572.db2.gz GHQLQINSODNYQK-LBPRGKRZSA-N -1 3 394.497 0.782 20 30 GCEDHM COC(=O)C(C)(C)N(C)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742630108 1201803491 /nfs/dbraw/zinc/80/34/91/1201803491.db2.gz MJKCIGNZSCNXBY-NSHDSACASA-N -1 3 381.454 0.914 20 30 GCEDHM CCCCOC(=O)CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742647124 1201803740 /nfs/dbraw/zinc/80/37/40/1201803740.db2.gz WTIRYIBCKNKSBO-GFCCVEGCSA-N -1 3 381.454 0.963 20 30 GCEDHM C[C@H](CC(=O)NCCN1CCOC[C@@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742635623 1201804012 /nfs/dbraw/zinc/80/40/12/1201804012.db2.gz ALWGIRBOUXYNRO-KGLIPLIRSA-N -1 3 394.497 0.341 20 30 GCEDHM C[C@H](CC(=O)N1CCCS(=O)(=O)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742659874 1201804537 /nfs/dbraw/zinc/80/45/37/1201804537.db2.gz RAZUYHBAJGDMIY-GFCCVEGCSA-N -1 3 399.494 0.151 20 30 GCEDHM C[C@@H](CC(=O)NCC(=O)OC(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742680479 1201805302 /nfs/dbraw/zinc/80/53/02/1201805302.db2.gz OWMLNAYLJXRDSD-NSHDSACASA-N -1 3 381.454 0.962 20 30 GCEDHM COC(=O)[C@](C)(NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CC1 ZINC000742689605 1201805792 /nfs/dbraw/zinc/80/57/92/1201805792.db2.gz MFNHHUGOHHTVJC-BBATYDOGSA-N -1 3 393.465 0.962 20 30 GCEDHM C[C@H](CC(=O)NCC1(C(N)=O)CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742685169 1201805885 /nfs/dbraw/zinc/80/58/85/1201805885.db2.gz YSOCKHUHFGOJJQ-GFCCVEGCSA-N -1 3 392.481 0.666 20 30 GCEDHM C[C@H](CC(=O)N1CCS(=O)(=O)C[C@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742696434 1201805923 /nfs/dbraw/zinc/80/59/23/1201805923.db2.gz YEBJXXJGDZCFBK-VXGBXAGGSA-N -1 3 399.494 0.149 20 30 GCEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC[C@](C)(O)COC ZINC000743769457 1201824015 /nfs/dbraw/zinc/82/40/15/1201824015.db2.gz IFXSYTWFIUKURJ-KSSFIOAISA-N -1 3 397.497 0.798 20 30 GCEDHM C[C@@H]1CN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C[C@@H](C(F)(F)F)O1 ZINC000744730114 1201852913 /nfs/dbraw/zinc/85/29/13/1201852913.db2.gz PHMYPUBYTFJGET-SKDRFNHKSA-N -1 3 391.371 0.903 20 30 GCEDHM C[C@@H](CC(=O)OCC(=O)NCCC#N)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745498229 1201879527 /nfs/dbraw/zinc/87/95/27/1201879527.db2.gz ZNKAWNALSRPLIF-NSHDSACASA-N -1 3 378.410 0.077 20 30 GCEDHM CCCCNC(=O)COC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745494708 1201879637 /nfs/dbraw/zinc/87/96/37/1201879637.db2.gz BHJQXMLWXFUSNA-GFCCVEGCSA-N -1 3 381.454 0.963 20 30 GCEDHM C=CCNC(=O)[C@H](C)OC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745497186 1201879781 /nfs/dbraw/zinc/87/97/81/1201879781.db2.gz PIMQFARODBNNFO-RYUDHWBXSA-N -1 3 379.438 0.738 20 30 GCEDHM COC(=O)CSCCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742640029 1201997332 /nfs/dbraw/zinc/99/73/32/1201997332.db2.gz JYQCNWZCGHBERX-LLVKDONJSA-N -1 3 399.494 0.526 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1C[C@H](C)[C@H](O)C1 ZINC000769129362 1202046969 /nfs/dbraw/zinc/04/69/69/1202046969.db2.gz SSZNGOCDFRQFIF-AEGPPILISA-N -1 3 379.482 0.979 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2cc(C(N)=O)no2)ccc1F ZINC000769257787 1202052932 /nfs/dbraw/zinc/05/29/32/1202052932.db2.gz AQPYVEFEGOAPTM-UHFFFAOYSA-N -1 3 382.373 0.307 20 30 GCEDHM CCOC1CC(O)(CNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000769708108 1202069082 /nfs/dbraw/zinc/06/90/82/1202069082.db2.gz JYDYQRXSXJSCLY-ZVLZOBCMSA-N -1 3 395.481 0.550 20 30 GCEDHM C[C@H](CC(=O)N[C@H](CO)CC(F)(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000771195721 1202127612 /nfs/dbraw/zinc/12/76/12/1202127612.db2.gz DTMFCRYEKXWGJG-ZJUUUORDSA-N -1 3 393.387 0.933 20 30 GCEDHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)ccc1F ZINC000787734106 1205401399 /nfs/dbraw/zinc/40/13/99/1205401399.db2.gz OZGPOALWVQMOIP-JTQLQIEISA-N -1 3 383.401 0.842 20 30 GCEDHM Cc1nn(C)c(N2CCN(C(=O)NCc3nc(C(F)(F)F)n[n-]3)CC2)c1C#N ZINC000788320979 1205420063 /nfs/dbraw/zinc/42/00/63/1205420063.db2.gz SIHQHEBVUJRKRR-UHFFFAOYSA-N -1 3 397.365 0.769 20 30 GCEDHM CN1C(=O)Cc2cc(NC(=O)C/N=C3/[N-]S(=O)(=O)c4ccccc43)ccc21 ZINC000788797774 1205429654 /nfs/dbraw/zinc/42/96/54/1205429654.db2.gz HJMUCWJJUFOIQY-UHFFFAOYSA-N -1 3 384.417 0.883 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCc1nnc2n1CCCCC2 ZINC000788883277 1205431840 /nfs/dbraw/zinc/43/18/40/1205431840.db2.gz YXDLNLUTYHNPSS-UHFFFAOYSA-N -1 3 389.437 0.786 20 30 GCEDHM C[C@H](CC(=O)N[C@@H](C)c1ncnn1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000789266055 1205437961 /nfs/dbraw/zinc/43/79/61/1205437961.db2.gz YDFCWXHXZOQNFX-MNOVXSKESA-N -1 3 376.442 0.510 20 30 GCEDHM C[C@H](CC(=O)OC[C@@H]1CC(=O)N(C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000772764120 1205472047 /nfs/dbraw/zinc/47/20/47/1205472047.db2.gz DNZAQGMHSDJRPY-VXGBXAGGSA-N -1 3 379.438 0.525 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)OC)CC2)ccc1F ZINC000790915864 1205472190 /nfs/dbraw/zinc/47/21/90/1205472190.db2.gz PRWHAMRLDSGRMH-UHFFFAOYSA-N -1 3 399.444 0.221 20 30 GCEDHM C[C@H](CNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)NC(=O)OC(C)(C)C ZINC000792508541 1205489199 /nfs/dbraw/zinc/48/91/99/1205489199.db2.gz HGNRWMPDPGYGEC-LLVKDONJSA-N -1 3 396.469 0.755 20 30 GCEDHM COC(=O)Cn1ncc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c1C ZINC000793848241 1205507328 /nfs/dbraw/zinc/50/73/28/1205507328.db2.gz FRZRYDKMQXKCEB-UHFFFAOYSA-N -1 3 391.409 0.042 20 30 GCEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CC(O)(CC#N)C1 ZINC000793870787 1205508464 /nfs/dbraw/zinc/50/84/64/1205508464.db2.gz WBGIACSZIIUPFY-CQSZACIVSA-N -1 3 390.465 0.627 20 30 GCEDHM CCOC(=O)c1ncc(NC(=O)CN=C2NS(=O)(=O)c3ccccc32)[n-]1 ZINC000793962983 1205510519 /nfs/dbraw/zinc/51/05/19/1205510519.db2.gz AGYIOFASMBGYFO-UHFFFAOYSA-N -1 3 377.382 0.264 20 30 GCEDHM CCOC(=O)c1nc(NC(=O)CN=C2NS(=O)(=O)c3ccccc32)c[n-]1 ZINC000793962983 1205510520 /nfs/dbraw/zinc/51/05/20/1205510520.db2.gz AGYIOFASMBGYFO-UHFFFAOYSA-N -1 3 377.382 0.264 20 30 GCEDHM CCOC(=O)c1ncc(NC(=O)CCN=C2NS(=O)(=O)c3ccccc32)[n-]1 ZINC000793965561 1205510556 /nfs/dbraw/zinc/51/05/56/1205510556.db2.gz YSROMCNDYRSWNO-UHFFFAOYSA-N -1 3 391.409 0.654 20 30 GCEDHM CCOC(=O)c1nc(NC(=O)CCN=C2NS(=O)(=O)c3ccccc32)c[n-]1 ZINC000793965561 1205510557 /nfs/dbraw/zinc/51/05/57/1205510557.db2.gz YSROMCNDYRSWNO-UHFFFAOYSA-N -1 3 391.409 0.654 20 30 GCEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC(=O)NCC#N ZINC000804819817 1205526367 /nfs/dbraw/zinc/52/63/67/1205526367.db2.gz LXXUBNISQOKFAJ-CYBMUJFWSA-N -1 3 391.453 0.040 20 30 GCEDHM CCOC(=O)c1c(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)ccn1C ZINC001130030287 1205529624 /nfs/dbraw/zinc/52/96/24/1205529624.db2.gz VGXYWOQSEIQRIU-UHFFFAOYSA-N -1 3 390.421 0.879 20 30 GCEDHM COC(=O)C(C)(C)C(=O)[C@@H](C)OC(=O)CN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000805341981 1205534887 /nfs/dbraw/zinc/53/48/87/1205534887.db2.gz WTWLHJGIDIXPOO-SNVBAGLBSA-N -1 3 396.421 0.425 20 30 GCEDHM CN1c2ccccc2C[C@@H](NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1=O ZINC001131033815 1205589334 /nfs/dbraw/zinc/58/93/34/1205589334.db2.gz YTQQDMKTHJVGJV-CQSZACIVSA-N -1 3 398.444 0.429 20 30 GCEDHM C[C@@H](CC(=O)N(C)Cc1nncn1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000807844274 1205591301 /nfs/dbraw/zinc/59/13/01/1205591301.db2.gz XTRGIYCNZULTLF-NSHDSACASA-N -1 3 376.442 0.291 20 30 GCEDHM C[C@H](CC(=O)N1CC[C@@H](CC(N)=O)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000807911009 1205594138 /nfs/dbraw/zinc/59/41/38/1205594138.db2.gz HMFOXBWMLOEWCX-NEPJUHHUSA-N -1 3 378.454 0.228 20 30 GCEDHM COc1ccc(CNC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c(OC)n1 ZINC000810989320 1205645212 /nfs/dbraw/zinc/64/52/12/1205645212.db2.gz HZFVCLDFTGBALW-UHFFFAOYSA-N -1 3 390.421 0.454 20 30 GCEDHM C[C@H](CC(=O)O[C@@H](C)c1nncn1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000805480523 1205674446 /nfs/dbraw/zinc/67/44/46/1205674446.db2.gz VGYQNZOUEHDCJA-MNOVXSKESA-N -1 3 377.426 0.937 20 30 GCEDHM NC(=O)c1ccc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c(F)c1 ZINC000747877658 1205680434 /nfs/dbraw/zinc/68/04/34/1205680434.db2.gz SRAHKHAFYSTYPL-UHFFFAOYSA-N -1 3 376.369 0.602 20 30 GCEDHM C=C[C@@H]1C[C@]1(Nc1nncc2c1OCCN2C)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001170742954 1205690507 /nfs/dbraw/zinc/69/05/07/1205690507.db2.gz SHWUWUKAQFMSKO-QLJPJBMISA-N -1 3 379.442 0.270 20 30 GCEDHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C1N=CC=CC1=O ZINC000814382246 1205690905 /nfs/dbraw/zinc/69/09/05/1205690905.db2.gz LDQDOEXWMQWSKP-OWBHPGMISA-N -1 3 397.800 0.681 20 30 GCEDHM COCC[C@]1(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CCOC1 ZINC000773335217 1205708465 /nfs/dbraw/zinc/70/84/65/1205708465.db2.gz OYIBENNVMSMVQA-ACJLOTCBSA-N -1 3 395.481 0.816 20 30 GCEDHM CNC(=O)NC[C@H]1COCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC001175291737 1205736570 /nfs/dbraw/zinc/73/65/70/1205736570.db2.gz JUXFDYBQCHSOTJ-ZDUSSCGKSA-N -1 3 375.429 0.365 20 30 GCEDHM COc1cccc(C(=O)CNC(=O)CN=C2[N-]S(=O)(=O)c3ccccc32)c1 ZINC001175544744 1205738217 /nfs/dbraw/zinc/73/82/17/1205738217.db2.gz SWWHTWMBHFACCK-UHFFFAOYSA-N -1 3 387.417 0.733 20 30 GCEDHM C=CCN1C(=O)CC[C@]12CCCN(C(=O)Cn1cc(F)c(=O)[n-]c1=O)CC2 ZINC001183657244 1205897899 /nfs/dbraw/zinc/89/78/99/1205897899.db2.gz NWQDILIARVUXOK-SFHVURJKSA-N -1 3 378.404 0.648 20 30 GCEDHM O=C(Cn1cc(F)c(=O)[n-]c1=O)NC1=C(Cl)C(=O)c2ccccc2C1=O ZINC001183662616 1205898266 /nfs/dbraw/zinc/89/82/66/1205898266.db2.gz NGNUQQNWIIYLGL-UHFFFAOYSA-N -1 3 377.715 0.734 20 30 GCEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCN1C(=O)NC2(CCCC2)C1=O ZINC000737704385 945113062 /nfs/dbraw/zinc/11/30/62/945113062.db2.gz FGZZRDWTLXBMND-UHFFFAOYSA-N -1 3 399.440 0.672 20 30 GCEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCN1C(=O)NC2(CCCC2)C1=O ZINC000737704385 945113066 /nfs/dbraw/zinc/11/30/66/945113066.db2.gz FGZZRDWTLXBMND-UHFFFAOYSA-N -1 3 399.440 0.672 20 30 GCEDHM C[C@H](CC#N)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820438742 945449330 /nfs/dbraw/zinc/44/93/30/945449330.db2.gz WACKCQRSSZINFB-GHMZBOCLSA-N -1 3 377.430 0.294 20 30 GCEDHM C[C@H](CC#N)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820438742 945449335 /nfs/dbraw/zinc/44/93/35/945449335.db2.gz WACKCQRSSZINFB-GHMZBOCLSA-N -1 3 377.430 0.294 20 30 GCEDHM N#Cc1nccnc1N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001571296226 946189904 /nfs/dbraw/zinc/18/99/04/946189904.db2.gz RJMJLXNOZMNZRC-YPMHNXCESA-N -1 3 390.411 0.455 20 30 GCEDHM N#Cc1nccnc1N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001571296226 946189910 /nfs/dbraw/zinc/18/99/10/946189910.db2.gz RJMJLXNOZMNZRC-YPMHNXCESA-N -1 3 390.411 0.455 20 30 GCEDHM N#C[C@H](OC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)C1CC1 ZINC000822801894 946190674 /nfs/dbraw/zinc/19/06/74/946190674.db2.gz QJRZRPIHTFUGLI-KGLIPLIRSA-N -1 3 395.379 0.917 20 30 GCEDHM N#C[C@H](OC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1CC1 ZINC000822801894 946190682 /nfs/dbraw/zinc/19/06/82/946190682.db2.gz QJRZRPIHTFUGLI-KGLIPLIRSA-N -1 3 395.379 0.917 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001571302022 946289924 /nfs/dbraw/zinc/28/99/24/946289924.db2.gz LZIUXACASXDSIC-TXEJJXNPSA-N -1 3 391.395 0.524 20 30 GCEDHM N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001571302022 946289935 /nfs/dbraw/zinc/28/99/35/946289935.db2.gz LZIUXACASXDSIC-TXEJJXNPSA-N -1 3 391.395 0.524 20 30 GCEDHM N#Cc1ccccc1CN1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571310083 946461670 /nfs/dbraw/zinc/46/16/70/946461670.db2.gz UQYBNYFXEDNKPX-MRXNPFEDSA-N -1 3 392.423 0.697 20 30 GCEDHM N#Cc1ccccc1CN1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571310083 946461677 /nfs/dbraw/zinc/46/16/77/946461677.db2.gz UQYBNYFXEDNKPX-MRXNPFEDSA-N -1 3 392.423 0.697 20 30 GCEDHM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](CNc2ccnc(C#N)n2)C1 ZINC001571312813 946503707 /nfs/dbraw/zinc/50/37/07/946503707.db2.gz KVEGNWAKHUJZOU-NEPJUHHUSA-N -1 3 392.427 0.631 20 30 GCEDHM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](CNc2ccnc(C#N)n2)C1 ZINC001571312813 946503715 /nfs/dbraw/zinc/50/37/15/946503715.db2.gz KVEGNWAKHUJZOU-NEPJUHHUSA-N -1 3 392.427 0.631 20 30 GCEDHM Cc1cc(C#N)nc(N(C)[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571312891 946505586 /nfs/dbraw/zinc/50/55/86/946505586.db2.gz LRELUMWJGIHUBZ-CQSZACIVSA-N -1 3 392.427 0.906 20 30 GCEDHM Cc1cc(C#N)nc(N(C)[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571312891 946505596 /nfs/dbraw/zinc/50/55/96/946505596.db2.gz LRELUMWJGIHUBZ-CQSZACIVSA-N -1 3 392.427 0.906 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)Nc1cncnc1OC ZINC000823910104 946515731 /nfs/dbraw/zinc/51/57/31/946515731.db2.gz XKRFVCNNFXAIFC-UHFFFAOYSA-N -1 3 394.395 0.819 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1cncnc1OC ZINC000823910104 946515736 /nfs/dbraw/zinc/51/57/36/946515736.db2.gz XKRFVCNNFXAIFC-UHFFFAOYSA-N -1 3 394.395 0.819 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000823931602 946518058 /nfs/dbraw/zinc/51/80/58/946518058.db2.gz APVRUJJJWNVLDF-UHFFFAOYSA-N -1 3 380.430 0.988 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000823931602 946518065 /nfs/dbraw/zinc/51/80/65/946518065.db2.gz APVRUJJJWNVLDF-UHFFFAOYSA-N -1 3 380.430 0.988 20 30 GCEDHM CN(C[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccnc(C#N)n1 ZINC001571313355 946519501 /nfs/dbraw/zinc/51/95/01/946519501.db2.gz QDXNNPAOZQEIOG-GFCCVEGCSA-N -1 3 392.427 0.845 20 30 GCEDHM CN(C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccnc(C#N)n1 ZINC001571313355 946519506 /nfs/dbraw/zinc/51/95/06/946519506.db2.gz QDXNNPAOZQEIOG-GFCCVEGCSA-N -1 3 392.427 0.845 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823931888 946521299 /nfs/dbraw/zinc/52/12/99/946521299.db2.gz JCXUSSIIOCBNCS-UHFFFAOYSA-N -1 3 398.832 0.176 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823931888 946521302 /nfs/dbraw/zinc/52/13/02/946521302.db2.gz JCXUSSIIOCBNCS-UHFFFAOYSA-N -1 3 398.832 0.176 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823931876 946521611 /nfs/dbraw/zinc/52/16/11/946521611.db2.gz IPSOAWXAIPSKMY-UHFFFAOYSA-N -1 3 376.442 0.756 20 30 GCEDHM C=CCS(=O)(=O)CCNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823931876 946521617 /nfs/dbraw/zinc/52/16/17/946521617.db2.gz IPSOAWXAIPSKMY-UHFFFAOYSA-N -1 3 376.442 0.756 20 30 GCEDHM Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C)n1 ZINC001571313917 946536797 /nfs/dbraw/zinc/53/67/97/946536797.db2.gz XIGPECHKXFIUSV-VXGBXAGGSA-N -1 3 392.427 0.952 20 30 GCEDHM Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)n1 ZINC001571313917 946536804 /nfs/dbraw/zinc/53/68/04/946536804.db2.gz XIGPECHKXFIUSV-VXGBXAGGSA-N -1 3 392.427 0.952 20 30 GCEDHM C[C@H](C#N)CNC(=O)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824035148 946564287 /nfs/dbraw/zinc/56/42/87/946564287.db2.gz SNAKBJIHFGKDBZ-SECBINFHSA-N -1 3 399.802 0.920 20 30 GCEDHM C#CCN(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1C[C@@](C)(O)CCOC ZINC001573281768 946679705 /nfs/dbraw/zinc/67/97/05/946679705.db2.gz BRCJURKQHSCOLQ-IBGZPJMESA-N -1 3 396.455 0.982 20 30 GCEDHM C#CCN(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1C[C@@](C)(O)CCOC ZINC001573281768 946679709 /nfs/dbraw/zinc/67/97/09/946679709.db2.gz BRCJURKQHSCOLQ-IBGZPJMESA-N -1 3 396.455 0.982 20 30 GCEDHM C#CCCCCC(=O)N(C)C[C@@H](O)CN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573283053 946707849 /nfs/dbraw/zinc/70/78/49/946707849.db2.gz DPYHVLVTZRIQMK-CQSZACIVSA-N -1 3 389.435 0.850 20 30 GCEDHM C#CCCCCC(=O)N(C)C[C@@H](O)CN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573283053 946707857 /nfs/dbraw/zinc/70/78/57/946707857.db2.gz DPYHVLVTZRIQMK-CQSZACIVSA-N -1 3 389.435 0.850 20 30 GCEDHM C#CCN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)C1 ZINC001573283989 946732534 /nfs/dbraw/zinc/73/25/34/946732534.db2.gz YQOJVURZHAAMHQ-HRCADAONSA-N -1 3 385.449 0.619 20 30 GCEDHM C#CCN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC001573283989 946732541 /nfs/dbraw/zinc/73/25/41/946732541.db2.gz YQOJVURZHAAMHQ-HRCADAONSA-N -1 3 385.449 0.619 20 30 GCEDHM C#CCCCCC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573284084 946735332 /nfs/dbraw/zinc/73/53/32/946735332.db2.gz RCXRGGCNYCMUNF-AWEZNQCLSA-N -1 3 385.428 0.346 20 30 GCEDHM C#CCCCCC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573284084 946735350 /nfs/dbraw/zinc/73/53/50/946735350.db2.gz RCXRGGCNYCMUNF-AWEZNQCLSA-N -1 3 385.428 0.346 20 30 GCEDHM C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001573284961 946761908 /nfs/dbraw/zinc/76/19/08/946761908.db2.gz PEGJGSNBOVMEDD-CYBMUJFWSA-N -1 3 383.412 0.098 20 30 GCEDHM C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001573284961 946761914 /nfs/dbraw/zinc/76/19/14/946761914.db2.gz PEGJGSNBOVMEDD-CYBMUJFWSA-N -1 3 383.412 0.098 20 30 GCEDHM C#CCCCC(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOCC1 ZINC001573285154 946770793 /nfs/dbraw/zinc/77/07/93/946770793.db2.gz SWZLVUGYIYJIMC-UHFFFAOYSA-N -1 3 385.428 0.394 20 30 GCEDHM C#CCCCC(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOCC1 ZINC001573285154 946770807 /nfs/dbraw/zinc/77/08/07/946770807.db2.gz SWZLVUGYIYJIMC-UHFFFAOYSA-N -1 3 385.428 0.394 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573285674 946786015 /nfs/dbraw/zinc/78/60/15/946786015.db2.gz KXYUILODUFCHSX-GXTWGEPZSA-N -1 3 385.428 0.296 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573285674 946786021 /nfs/dbraw/zinc/78/60/21/946786021.db2.gz KXYUILODUFCHSX-GXTWGEPZSA-N -1 3 385.428 0.296 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001573286104 946794354 /nfs/dbraw/zinc/79/43/54/946794354.db2.gz UEACXDMZJVCHEX-PBHICJAKSA-N -1 3 380.456 0.444 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001573286104 946794362 /nfs/dbraw/zinc/79/43/62/946794362.db2.gz UEACXDMZJVCHEX-PBHICJAKSA-N -1 3 380.456 0.444 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001573286046 946794929 /nfs/dbraw/zinc/79/49/29/946794929.db2.gz SIDKZFIOUZCVPM-JLUCKKNBSA-N -1 3 383.412 0.095 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573286046 946794935 /nfs/dbraw/zinc/79/49/35/946794935.db2.gz SIDKZFIOUZCVPM-JLUCKKNBSA-N -1 3 383.412 0.095 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573286142 946796860 /nfs/dbraw/zinc/79/68/60/946796860.db2.gz USBNPFHVHAGFDV-SCLBCKFNSA-N -1 3 385.428 0.065 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573286142 946796864 /nfs/dbraw/zinc/79/68/64/946796864.db2.gz USBNPFHVHAGFDV-SCLBCKFNSA-N -1 3 385.428 0.065 20 30 GCEDHM C#CCO[C@H](C)C(=O)N[C@](C)(CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573286218 946799530 /nfs/dbraw/zinc/79/95/30/946799530.db2.gz WOWGWJWDERMIDE-ADLMAVQZSA-N -1 3 385.428 0.248 20 30 GCEDHM C#CCO[C@H](C)C(=O)N[C@](C)(CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573286218 946799538 /nfs/dbraw/zinc/79/95/38/946799538.db2.gz WOWGWJWDERMIDE-ADLMAVQZSA-N -1 3 385.428 0.248 20 30 GCEDHM C#CCO[C@H](C)C(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573286454 946809539 /nfs/dbraw/zinc/80/95/39/946809539.db2.gz CBOGMWGURHIQNY-BXUZGUMPSA-N -1 3 387.444 0.494 20 30 GCEDHM C#CCO[C@H](C)C(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573286454 946809547 /nfs/dbraw/zinc/80/95/47/946809547.db2.gz CBOGMWGURHIQNY-BXUZGUMPSA-N -1 3 387.444 0.494 20 30 GCEDHM C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573286601 946811109 /nfs/dbraw/zinc/81/11/09/946811109.db2.gz FZYBKLOBWBNPFL-NEPJUHHUSA-N -1 3 375.458 0.612 20 30 GCEDHM C#CCOCCC(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001573286668 946815767 /nfs/dbraw/zinc/81/57/67/946815767.db2.gz HFGVMCHVVMDDQM-LPHOPBHVSA-N -1 3 381.440 0.919 20 30 GCEDHM C#CCOCCC(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001573286668 946815779 /nfs/dbraw/zinc/81/57/79/946815779.db2.gz HFGVMCHVVMDDQM-LPHOPBHVSA-N -1 3 381.440 0.919 20 30 GCEDHM C#CCO[C@H](C)C(=O)NC[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1C ZINC001573286733 946817063 /nfs/dbraw/zinc/81/70/63/946817063.db2.gz HYOVJNVBVPOPPP-BPLDGKMQSA-N -1 3 383.456 0.797 20 30 GCEDHM C#CCO[C@H](C)C(=O)NC[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1C ZINC001573286733 946817081 /nfs/dbraw/zinc/81/70/81/946817081.db2.gz HYOVJNVBVPOPPP-BPLDGKMQSA-N -1 3 383.456 0.797 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001573286901 946821335 /nfs/dbraw/zinc/82/13/35/946821335.db2.gz CFVAJLMASJXBOF-GFCCVEGCSA-N -1 3 390.407 0.463 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001573286901 946821342 /nfs/dbraw/zinc/82/13/42/946821342.db2.gz CFVAJLMASJXBOF-GFCCVEGCSA-N -1 3 390.407 0.463 20 30 GCEDHM C#CCO[C@H](C)C(=O)NC[C@@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC001573286974 946823356 /nfs/dbraw/zinc/82/33/56/946823356.db2.gz JPUXFOJIUAPTSV-GDBMZVCRSA-N -1 3 384.440 0.222 20 30 GCEDHM C#CCO[C@H](C)C(=O)NC[C@@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC001573286974 946823367 /nfs/dbraw/zinc/82/33/67/946823367.db2.gz JPUXFOJIUAPTSV-GDBMZVCRSA-N -1 3 384.440 0.222 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C)nc1 ZINC001573287087 946825374 /nfs/dbraw/zinc/82/53/74/946825374.db2.gz DTOQVRFSGRLFQI-MEDUHNTESA-N -1 3 390.407 0.462 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C)nc1 ZINC001573287087 946825383 /nfs/dbraw/zinc/82/53/83/946825383.db2.gz DTOQVRFSGRLFQI-MEDUHNTESA-N -1 3 390.407 0.462 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1 ZINC001573287090 946825862 /nfs/dbraw/zinc/82/58/62/946825862.db2.gz LRLAHDKWLHBAHL-CABCVRRESA-N -1 3 381.440 0.871 20 30 GCEDHM C#CCOCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1 ZINC001573287090 946825871 /nfs/dbraw/zinc/82/58/71/946825871.db2.gz LRLAHDKWLHBAHL-CABCVRRESA-N -1 3 381.440 0.871 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@H](CC)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc1 ZINC001573287124 946829094 /nfs/dbraw/zinc/82/90/94/946829094.db2.gz FURGVZJVOYRCBN-CYBMUJFWSA-N -1 3 378.396 0.510 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@H](CC)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc1 ZINC001573287124 946829107 /nfs/dbraw/zinc/82/91/07/946829107.db2.gz FURGVZJVOYRCBN-CYBMUJFWSA-N -1 3 378.396 0.510 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001573287204 946830850 /nfs/dbraw/zinc/83/08/50/946830850.db2.gz GSQUOPIJYYLAMN-HNNXBMFYSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001573287204 946830864 /nfs/dbraw/zinc/83/08/64/946830864.db2.gz GSQUOPIJYYLAMN-HNNXBMFYSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001573287237 946833127 /nfs/dbraw/zinc/83/31/27/946833127.db2.gz GVJRBCOJMUDCJG-CQSZACIVSA-N -1 3 376.380 0.216 20 30 GCEDHM C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001573287237 946833133 /nfs/dbraw/zinc/83/31/33/946833133.db2.gz GVJRBCOJMUDCJG-CQSZACIVSA-N -1 3 376.380 0.216 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC001573288115 946857473 /nfs/dbraw/zinc/85/74/73/946857473.db2.gz NSNZJUCOOCFFSV-OAHLLOKOSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC001573288115 946857482 /nfs/dbraw/zinc/85/74/82/946857482.db2.gz NSNZJUCOOCFFSV-OAHLLOKOSA-N -1 3 390.407 0.606 20 30 GCEDHM C#CCOCCC(=O)N(C)C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573288200 946861453 /nfs/dbraw/zinc/86/14/53/946861453.db2.gz SNBDJJMUAHTPRH-ZDUSSCGKSA-N -1 3 385.428 0.155 20 30 GCEDHM C#CCOCCC(=O)N(C)C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573288200 946861464 /nfs/dbraw/zinc/86/14/64/946861464.db2.gz SNBDJJMUAHTPRH-ZDUSSCGKSA-N -1 3 385.428 0.155 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001573288494 946866912 /nfs/dbraw/zinc/86/69/12/946866912.db2.gz RARUAYXAFFVGOD-CQSZACIVSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001573288494 946866926 /nfs/dbraw/zinc/86/69/26/946866926.db2.gz RARUAYXAFFVGOD-CQSZACIVSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1ccc(C(=O)N2CCC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nc1 ZINC001573289516 946885082 /nfs/dbraw/zinc/88/50/82/946885082.db2.gz ZSVVBPJWXPZZFP-AWEZNQCLSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1ccc(C(=O)N2CCC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nc1 ZINC001573289516 946885092 /nfs/dbraw/zinc/88/50/92/946885092.db2.gz ZSVVBPJWXPZZFP-AWEZNQCLSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1ccc(C(=O)NC2CC(N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001573289505 946886673 /nfs/dbraw/zinc/88/66/73/946886673.db2.gz ZREPWFWLZZRJFO-UHFFFAOYSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1ccc(C(=O)NC2CC(N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001573289505 946886684 /nfs/dbraw/zinc/88/66/84/946886684.db2.gz ZREPWFWLZZRJFO-UHFFFAOYSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1ccc(C(=O)NCC2(O)CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)nc1 ZINC001573289527 946886763 /nfs/dbraw/zinc/88/67/63/946886763.db2.gz ZYNYRFBIMWHKRB-UHFFFAOYSA-N -1 3 389.419 0.220 20 30 GCEDHM C#Cc1ccc(C(=O)NCC2(O)CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)nc1 ZINC001573289527 946886767 /nfs/dbraw/zinc/88/67/67/946886767.db2.gz ZYNYRFBIMWHKRB-UHFFFAOYSA-N -1 3 389.419 0.220 20 30 GCEDHM C#Cc1cncc(C(=O)N(C)[C@@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001573289746 946892053 /nfs/dbraw/zinc/89/20/53/946892053.db2.gz CGXNEGFUQVTBTM-NSHDSACASA-N -1 3 378.396 0.462 20 30 GCEDHM C#Cc1cncc(C(=O)N(C)[C@@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001573289746 946892064 /nfs/dbraw/zinc/89/20/64/946892064.db2.gz CGXNEGFUQVTBTM-NSHDSACASA-N -1 3 378.396 0.462 20 30 GCEDHM C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001573289732 946892612 /nfs/dbraw/zinc/89/26/12/946892612.db2.gz PMMUFGABJGJDRA-TZMCWYRMSA-N -1 3 385.428 0.059 20 30 GCEDHM C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001573289732 946892627 /nfs/dbraw/zinc/89/26/27/946892627.db2.gz PMMUFGABJGJDRA-TZMCWYRMSA-N -1 3 385.428 0.059 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)C[C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001573289915 946894439 /nfs/dbraw/zinc/89/44/39/946894439.db2.gz RFCBJMWNFNZHNM-LLVKDONJSA-N -1 3 378.396 0.462 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)C[C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001573289915 946894450 /nfs/dbraw/zinc/89/44/50/946894450.db2.gz RFCBJMWNFNZHNM-LLVKDONJSA-N -1 3 378.396 0.462 20 30 GCEDHM C#Cc1ccccc1CC(=O)NC[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573289852 946895659 /nfs/dbraw/zinc/89/56/59/946895659.db2.gz DXLBTZVFWAKHLO-ZDUSSCGKSA-N -1 3 391.435 0.901 20 30 GCEDHM C#Cc1ccccc1CC(=O)NC[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573289852 946895667 /nfs/dbraw/zinc/89/56/67/946895667.db2.gz DXLBTZVFWAKHLO-ZDUSSCGKSA-N -1 3 391.435 0.901 20 30 GCEDHM C#Cc1ccccc1CC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573289873 946896067 /nfs/dbraw/zinc/89/60/67/946896067.db2.gz FBSRFEPIQFDEPJ-UHFFFAOYSA-N -1 3 389.419 0.607 20 30 GCEDHM C#Cc1ccccc1CC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573289873 946896077 /nfs/dbraw/zinc/89/60/77/946896077.db2.gz FBSRFEPIQFDEPJ-UHFFFAOYSA-N -1 3 389.419 0.607 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)CCOCCNc2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001573290410 946905962 /nfs/dbraw/zinc/90/59/62/946905962.db2.gz YFPABJSHRYIOBB-UHFFFAOYSA-N -1 3 392.423 0.839 20 30 GCEDHM C#Cc1ccc(C(=O)N(C)CCOCCNc2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001573290410 946905967 /nfs/dbraw/zinc/90/59/67/946905967.db2.gz YFPABJSHRYIOBB-UHFFFAOYSA-N -1 3 392.423 0.839 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C)cn1 ZINC001573291024 946915005 /nfs/dbraw/zinc/91/50/05/946915005.db2.gz VVDCUUIXXHKZIV-RISCZKNCSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C)cn1 ZINC001573291024 946915016 /nfs/dbraw/zinc/91/50/16/946915016.db2.gz VVDCUUIXXHKZIV-RISCZKNCSA-N -1 3 390.407 0.604 20 30 GCEDHM C#Cc1cncc(C(=O)NC[C@@H](CC)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001573291836 946923423 /nfs/dbraw/zinc/92/34/23/946923423.db2.gz KDUABUHQQGAVFL-CYBMUJFWSA-N -1 3 378.396 0.510 20 30 GCEDHM C#Cc1cncc(C(=O)NC[C@@H](CC)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001573291836 946923431 /nfs/dbraw/zinc/92/34/31/946923431.db2.gz KDUABUHQQGAVFL-CYBMUJFWSA-N -1 3 378.396 0.510 20 30 GCEDHM C#Cc1cncc(C(=O)N[C@@]2(C)CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001573291854 946924052 /nfs/dbraw/zinc/92/40/52/946924052.db2.gz KSQICAHNBLQKEA-IBGZPJMESA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1cncc(C(=O)N[C@@]2(C)CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001573291854 946924057 /nfs/dbraw/zinc/92/40/57/946924057.db2.gz KSQICAHNBLQKEA-IBGZPJMESA-N -1 3 390.407 0.606 20 30 GCEDHM C=C(C)[C@H](CC(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)OCC ZINC001573293407 946954963 /nfs/dbraw/zinc/95/49/63/946954963.db2.gz VNFLONSZSIYFLR-FZMZJTMJSA-N -1 3 375.433 0.801 20 30 GCEDHM C=C(C)[C@H](CC(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)OCC ZINC001573293407 946954971 /nfs/dbraw/zinc/95/49/71/946954971.db2.gz VNFLONSZSIYFLR-FZMZJTMJSA-N -1 3 375.433 0.801 20 30 GCEDHM C[C@@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573561387 946962924 /nfs/dbraw/zinc/96/29/24/946962924.db2.gz KAINTHUTJXRVMH-GXSJLCMTSA-N -1 3 378.824 0.330 20 30 GCEDHM C[C@@H](C#N)C(=O)N(C)C[C@H](O)CN(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573561387 946962927 /nfs/dbraw/zinc/96/29/27/946962927.db2.gz KAINTHUTJXRVMH-GXSJLCMTSA-N -1 3 378.824 0.330 20 30 GCEDHM C[C@H](C#N)C(=O)N(C)CCN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573562928 946981632 /nfs/dbraw/zinc/98/16/32/946981632.db2.gz YCIGCVFEZBWCRO-CYBMUJFWSA-N -1 3 386.435 0.746 20 30 GCEDHM C[C@H](C#N)C(=O)N(C)CCN1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573562928 946981638 /nfs/dbraw/zinc/98/16/38/946981638.db2.gz YCIGCVFEZBWCRO-CYBMUJFWSA-N -1 3 386.435 0.746 20 30 GCEDHM C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001573294729 946997292 /nfs/dbraw/zinc/99/72/92/946997292.db2.gz JYRJJXUGTFLWLA-NEPJUHHUSA-N -1 3 393.835 0.275 20 30 GCEDHM C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001573294729 946997298 /nfs/dbraw/zinc/99/72/98/946997298.db2.gz JYRJJXUGTFLWLA-NEPJUHHUSA-N -1 3 393.835 0.275 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC2(CC1)CN(c1ccc(-c3nnn[n-]3)nc1)CCO2 ZINC001573565111 947002431 /nfs/dbraw/zinc/00/24/31/947002431.db2.gz NBYVLVQACITUKF-CYBMUJFWSA-N -1 3 382.428 0.619 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC2(CC1)CN(c1ccc(-c3nn[n-]n3)nc1)CCO2 ZINC001573565111 947002444 /nfs/dbraw/zinc/00/24/44/947002444.db2.gz NBYVLVQACITUKF-CYBMUJFWSA-N -1 3 382.428 0.619 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573294981 947005025 /nfs/dbraw/zinc/00/50/25/947005025.db2.gz MWCSQWPQEHNFKS-YCPHGPKFSA-N -1 3 399.455 0.897 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573294981 947005037 /nfs/dbraw/zinc/00/50/37/947005037.db2.gz MWCSQWPQEHNFKS-YCPHGPKFSA-N -1 3 399.455 0.897 20 30 GCEDHM C=C(Cl)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573295408 947016615 /nfs/dbraw/zinc/01/66/15/947016615.db2.gz QFAATBSNHNXRAA-JTQLQIEISA-N -1 3 381.824 0.180 20 30 GCEDHM C=C(Cl)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573295408 947016623 /nfs/dbraw/zinc/01/66/23/947016623.db2.gz QFAATBSNHNXRAA-JTQLQIEISA-N -1 3 381.824 0.180 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CC2 ZINC001573567208 947037908 /nfs/dbraw/zinc/03/79/08/947037908.db2.gz KDYRORPDHRYYAI-GFCCVEGCSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CN(Cc1ccc(-c3nnn[n-]3)s1)CCO2 ZINC001573567273 947041390 /nfs/dbraw/zinc/04/13/90/947041390.db2.gz KZGQPCZRZLVRTO-SJCJKPOMSA-N -1 3 387.469 0.891 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CN(Cc1ccc(-c3nn[n-]n3)s1)CCO2 ZINC001573567273 947041404 /nfs/dbraw/zinc/04/14/04/947041404.db2.gz KZGQPCZRZLVRTO-SJCJKPOMSA-N -1 3 387.469 0.891 20 30 GCEDHM C=C(C)[C@@H](CC(=O)N[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)OCC ZINC001573298036 947068336 /nfs/dbraw/zinc/06/83/36/947068336.db2.gz ADVJFHGSCIEKKH-BXUZGUMPSA-N -1 3 375.433 0.801 20 30 GCEDHM C=C(C)[C@@H](CC(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)OCC ZINC001573298036 947068353 /nfs/dbraw/zinc/06/83/53/947068353.db2.gz ADVJFHGSCIEKKH-BXUZGUMPSA-N -1 3 375.433 0.801 20 30 GCEDHM C=C(C)[C@H](CC(=O)N[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)OCC ZINC001573298040 947068513 /nfs/dbraw/zinc/06/85/13/947068513.db2.gz ADVJFHGSCIEKKH-RISCZKNCSA-N -1 3 375.433 0.801 20 30 GCEDHM C=C(C)[C@H](CC(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)OCC ZINC001573298040 947068519 /nfs/dbraw/zinc/06/85/19/947068519.db2.gz ADVJFHGSCIEKKH-RISCZKNCSA-N -1 3 375.433 0.801 20 30 GCEDHM C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573570354 947086277 /nfs/dbraw/zinc/08/62/77/947086277.db2.gz MXSUCZFUCXQLPH-YNKQFZHNSA-N -1 3 382.428 0.713 20 30 GCEDHM C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573570354 947086289 /nfs/dbraw/zinc/08/62/89/947086289.db2.gz MXSUCZFUCXQLPH-YNKQFZHNSA-N -1 3 382.428 0.713 20 30 GCEDHM C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573570574 947091586 /nfs/dbraw/zinc/09/15/86/947091586.db2.gz QWZPNLSUPNSFNQ-BYCMXARLSA-N -1 3 392.427 0.561 20 30 GCEDHM C[C@H](C#N)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573570574 947091599 /nfs/dbraw/zinc/09/15/99/947091599.db2.gz QWZPNLSUPNSFNQ-BYCMXARLSA-N -1 3 392.427 0.561 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)CC1 ZINC001573570779 947093048 /nfs/dbraw/zinc/09/30/48/947093048.db2.gz TXGSOARYLFGWJH-ZFWWWQNUSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC001573570779 947093058 /nfs/dbraw/zinc/09/30/58/947093058.db2.gz TXGSOARYLFGWJH-ZFWWWQNUSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)CC1 ZINC001573570778 947093436 /nfs/dbraw/zinc/09/34/36/947093436.db2.gz TXGSOARYLFGWJH-UKRRQHHQSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC001573570778 947093447 /nfs/dbraw/zinc/09/34/47/947093447.db2.gz TXGSOARYLFGWJH-UKRRQHHQSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCOC2(CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001573570838 947094318 /nfs/dbraw/zinc/09/43/18/947094318.db2.gz VAPFWJJQAPKSRH-CYBMUJFWSA-N -1 3 382.428 0.619 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCOC2(CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001573570838 947094325 /nfs/dbraw/zinc/09/43/25/947094325.db2.gz VAPFWJJQAPKSRH-CYBMUJFWSA-N -1 3 382.428 0.619 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573573104 947118999 /nfs/dbraw/zinc/11/89/99/947118999.db2.gz MPHVXUBQRTVTIT-KPZWWZAWSA-N -1 3 387.419 0.609 20 30 GCEDHM C=C(C)CCC(=O)N[C@H]1COC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001573301147 947130938 /nfs/dbraw/zinc/13/09/38/947130938.db2.gz ZPGPMRCUOAEAHQ-GFCCVEGCSA-N -1 3 385.428 0.651 20 30 GCEDHM C=C(C)CCC(=O)N[C@H]1COC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001573301147 947130941 /nfs/dbraw/zinc/13/09/41/947130941.db2.gz ZPGPMRCUOAEAHQ-GFCCVEGCSA-N -1 3 385.428 0.651 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573574676 947132161 /nfs/dbraw/zinc/13/21/61/947132161.db2.gz STMPWOXRBIHSGO-XIKOKIGWSA-N -1 3 387.419 0.609 20 30 GCEDHM C=CC(C)(C)C(=O)N[C@@H](C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001573301284 947134718 /nfs/dbraw/zinc/13/47/18/947134718.db2.gz WOLCJSDUTMUVBM-FZMZJTMJSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CC(C)(C)C(=O)N[C@@H](C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001573301284 947134724 /nfs/dbraw/zinc/13/47/24/947134724.db2.gz WOLCJSDUTMUVBM-FZMZJTMJSA-N -1 3 387.444 0.753 20 30 GCEDHM CCN(CC(=O)NCc1cccs1)C(=O)Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC000825394512 947171711 /nfs/dbraw/zinc/17/17/11/947171711.db2.gz FRJBKIJPCUBOIH-UHFFFAOYSA-N -1 3 399.440 0.161 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N(CC)CCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573309204 947193148 /nfs/dbraw/zinc/19/31/48/947193148.db2.gz DZOJORRRIMEIFJ-QGZVFWFLSA-N -1 3 375.433 0.490 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N(CC)CCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573309204 947193158 /nfs/dbraw/zinc/19/31/58/947193158.db2.gz DZOJORRRIMEIFJ-QGZVFWFLSA-N -1 3 375.433 0.490 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573309210 947193365 /nfs/dbraw/zinc/19/33/65/947193365.db2.gz FBIVWMUQSNEPND-SUMWQHHRSA-N -1 3 375.433 0.393 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573309210 947193372 /nfs/dbraw/zinc/19/33/72/947193372.db2.gz FBIVWMUQSNEPND-SUMWQHHRSA-N -1 3 375.433 0.393 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573309207 947193841 /nfs/dbraw/zinc/19/38/41/947193841.db2.gz FBIVWMUQSNEPND-CXAGYDPISA-N -1 3 375.433 0.393 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573309207 947193851 /nfs/dbraw/zinc/19/38/51/947193851.db2.gz FBIVWMUQSNEPND-CXAGYDPISA-N -1 3 375.433 0.393 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573309320 947196818 /nfs/dbraw/zinc/19/68/18/947196818.db2.gz GSRUKBDNEZKFTF-WHWRDJHUSA-N -1 3 387.444 0.537 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573309320 947196823 /nfs/dbraw/zinc/19/68/23/947196823.db2.gz GSRUKBDNEZKFTF-WHWRDJHUSA-N -1 3 387.444 0.537 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1C[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2C1 ZINC001573309531 947202759 /nfs/dbraw/zinc/20/27/59/947202759.db2.gz KCGFMOSVDKRWCY-FHSNZYRGSA-N -1 3 387.419 0.623 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1C[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2C1 ZINC001573309531 947202769 /nfs/dbraw/zinc/20/27/69/947202769.db2.gz KCGFMOSVDKRWCY-FHSNZYRGSA-N -1 3 387.419 0.623 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC001573583791 947208072 /nfs/dbraw/zinc/20/80/72/947208072.db2.gz OVXDKDXCPOBNFH-MWLCHTKSSA-N -1 3 376.808 0.396 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC001573583791 947208080 /nfs/dbraw/zinc/20/80/80/947208080.db2.gz OVXDKDXCPOBNFH-MWLCHTKSSA-N -1 3 376.808 0.396 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCC1(F)F ZINC001573583823 947211293 /nfs/dbraw/zinc/21/12/93/947211293.db2.gz PLLFPKSCWFZCOK-QWRGUYRKSA-N -1 3 376.371 0.999 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCC1(F)F ZINC001573583823 947211304 /nfs/dbraw/zinc/21/13/04/947211304.db2.gz PLLFPKSCWFZCOK-QWRGUYRKSA-N -1 3 376.371 0.999 20 30 GCEDHM C[C@H](C#N)C(=O)NCCCN1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573584227 947215169 /nfs/dbraw/zinc/21/51/69/947215169.db2.gz RPDMGZRMOINSAX-CYBMUJFWSA-N -1 3 388.501 0.712 20 30 GCEDHM C[C@@H](C#N)C(=O)NCCCN1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573584228 947215986 /nfs/dbraw/zinc/21/59/86/947215986.db2.gz RPDMGZRMOINSAX-ZDUSSCGKSA-N -1 3 388.501 0.712 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573584655 947229743 /nfs/dbraw/zinc/22/97/43/947229743.db2.gz ASHKVFBGCLBRHW-DRZCJDIDSA-N -1 3 390.407 0.866 20 30 GCEDHM C[C@H](C#N)C(=O)NCc1cn(C2CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC001573585717 947265778 /nfs/dbraw/zinc/26/57/78/947265778.db2.gz VPQRIEJLPVSEPQ-GFCCVEGCSA-N -1 3 392.427 0.291 20 30 GCEDHM C=CCC(C)(C)C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](OC)C1 ZINC001573319407 947331614 /nfs/dbraw/zinc/33/16/14/947331614.db2.gz NEHHAJQHVKTHPC-ZIAGYGMSSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CCC(C)(C)C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](OC)C1 ZINC001573319407 947331617 /nfs/dbraw/zinc/33/16/17/947331617.db2.gz NEHHAJQHVKTHPC-ZIAGYGMSSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CCC1(C(=O)NCCCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1 ZINC001573325871 947361951 /nfs/dbraw/zinc/36/19/51/947361951.db2.gz HNPZOTYOAOQURB-UHFFFAOYSA-N -1 3 387.444 0.804 20 30 GCEDHM C=CCC1(C(=O)NCCCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1 ZINC001573325871 947361964 /nfs/dbraw/zinc/36/19/64/947361964.db2.gz HNPZOTYOAOQURB-UHFFFAOYSA-N -1 3 387.444 0.804 20 30 GCEDHM CN(CC(C)(C)CNC(=O)c1c[nH]c(C#N)c1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825897038 947362440 /nfs/dbraw/zinc/36/24/40/947362440.db2.gz BEKOKXMERNREFT-UHFFFAOYSA-N -1 3 395.427 0.923 20 30 GCEDHM CN(CC(C)(C)CNC(=O)c1c[nH]c(C#N)c1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825897038 947362455 /nfs/dbraw/zinc/36/24/55/947362455.db2.gz BEKOKXMERNREFT-UHFFFAOYSA-N -1 3 395.427 0.923 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N[C@@H](C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573335824 947490255 /nfs/dbraw/zinc/49/02/55/947490255.db2.gz FATFKHOOVZUWPA-RYUDHWBXSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N[C@@H](C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573335824 947490265 /nfs/dbraw/zinc/49/02/65/947490265.db2.gz FATFKHOOVZUWPA-RYUDHWBXSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001573336076 947497910 /nfs/dbraw/zinc/49/79/10/947497910.db2.gz HOGRSWSTNFYTAQ-ZFWWWQNUSA-N -1 3 387.444 0.564 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001573336076 947497915 /nfs/dbraw/zinc/49/79/15/947497915.db2.gz HOGRSWSTNFYTAQ-ZFWWWQNUSA-N -1 3 387.444 0.564 20 30 GCEDHM C=CCCOCC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C1 ZINC001573336121 947500636 /nfs/dbraw/zinc/50/06/36/947500636.db2.gz IYOBFJLXHBVMSL-KGLIPLIRSA-N -1 3 399.455 0.708 20 30 GCEDHM C=CCCOCC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C1 ZINC001573336121 947500647 /nfs/dbraw/zinc/50/06/47/947500647.db2.gz IYOBFJLXHBVMSL-KGLIPLIRSA-N -1 3 399.455 0.708 20 30 GCEDHM C=CCCOCC(=O)NCC1(O)CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573336225 947504547 /nfs/dbraw/zinc/50/45/47/947504547.db2.gz LGQXFYJOOXROMN-UHFFFAOYSA-N -1 3 390.419 0.261 20 30 GCEDHM C=CCCOCC(=O)NCC1(O)CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573336225 947504557 /nfs/dbraw/zinc/50/45/57/947504557.db2.gz LGQXFYJOOXROMN-UHFFFAOYSA-N -1 3 390.419 0.261 20 30 GCEDHM C=CCCOCC(=O)N(C)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573336731 947508758 /nfs/dbraw/zinc/50/87/58/947508758.db2.gz QOGXYRCPYHXSMI-UHFFFAOYSA-N -1 3 387.444 0.851 20 30 GCEDHM C=CCCOCC(=O)N(C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573336731 947508765 /nfs/dbraw/zinc/50/87/65/947508765.db2.gz QOGXYRCPYHXSMI-UHFFFAOYSA-N -1 3 387.444 0.851 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)NC1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573337349 947517096 /nfs/dbraw/zinc/51/70/96/947517096.db2.gz WDQVMJXRDAMSGL-XGNXJENSSA-N -1 3 387.444 0.895 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)NC1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573337349 947517104 /nfs/dbraw/zinc/51/71/04/947517104.db2.gz WDQVMJXRDAMSGL-XGNXJENSSA-N -1 3 387.444 0.895 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001573341036 947525703 /nfs/dbraw/zinc/52/57/03/947525703.db2.gz FXRPGBVXOUJFPJ-HZPDHXFCSA-N -1 3 380.412 0.982 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001573341036 947525711 /nfs/dbraw/zinc/52/57/11/947525711.db2.gz FXRPGBVXOUJFPJ-HZPDHXFCSA-N -1 3 380.412 0.982 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1=NN(CCO)C(=O)CC1 ZINC001573341130 947527821 /nfs/dbraw/zinc/52/78/21/947527821.db2.gz IHBDXVYHPJDQCC-UHFFFAOYSA-N -1 3 383.412 0.352 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1=NN(CCO)C(=O)CC1 ZINC001573341130 947527829 /nfs/dbraw/zinc/52/78/29/947527829.db2.gz IHBDXVYHPJDQCC-UHFFFAOYSA-N -1 3 383.412 0.352 20 30 GCEDHM C=CCOCC(=O)N1CC=C(CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573342770 947543793 /nfs/dbraw/zinc/54/37/93/947543793.db2.gz CUPOWDLHRBDHJX-UHFFFAOYSA-N -1 3 385.428 0.676 20 30 GCEDHM C=CCOCC(=O)N1CC=C(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573342770 947543801 /nfs/dbraw/zinc/54/38/01/947543801.db2.gz CUPOWDLHRBDHJX-UHFFFAOYSA-N -1 3 385.428 0.676 20 30 GCEDHM C=CCOCC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC[C@@H]21 ZINC001573342842 947548054 /nfs/dbraw/zinc/54/80/54/947548054.db2.gz FMEWDYQLCMYIIF-WFASDCNBSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCOCC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC[C@@H]21 ZINC001573342842 947548062 /nfs/dbraw/zinc/54/80/62/947548062.db2.gz FMEWDYQLCMYIIF-WFASDCNBSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCOCC(=O)N1CC[C@H](N(CCC)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573343024 947550229 /nfs/dbraw/zinc/55/02/29/947550229.db2.gz IKEOBZRQNTUIGG-ZDUSSCGKSA-N -1 3 387.444 0.851 20 30 GCEDHM C=CCOCC(=O)N1CC[C@H](N(CCC)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573343024 947550237 /nfs/dbraw/zinc/55/02/37/947550237.db2.gz IKEOBZRQNTUIGG-ZDUSSCGKSA-N -1 3 387.444 0.851 20 30 GCEDHM C=CCOCC(=O)N1CCC(O)(CNc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573343031 947550761 /nfs/dbraw/zinc/55/07/61/947550761.db2.gz IMEFWXVWDMJYBC-UHFFFAOYSA-N -1 3 391.407 0.369 20 30 GCEDHM C=CCOCC(=O)N1CCC(O)(CNc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573343031 947550771 /nfs/dbraw/zinc/55/07/71/947550771.db2.gz IMEFWXVWDMJYBC-UHFFFAOYSA-N -1 3 391.407 0.369 20 30 GCEDHM C=CCOCC(=O)NCCC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573343230 947554602 /nfs/dbraw/zinc/55/46/02/947554602.db2.gz LCIWWTAUZWEVQG-UHFFFAOYSA-N -1 3 387.444 0.756 20 30 GCEDHM C=CCOCC(=O)NCCC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573343230 947554610 /nfs/dbraw/zinc/55/46/10/947554610.db2.gz LCIWWTAUZWEVQG-UHFFFAOYSA-N -1 3 387.444 0.756 20 30 GCEDHM C=CCOCC(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC[C@H]21 ZINC001573343233 947555276 /nfs/dbraw/zinc/55/52/76/947555276.db2.gz LCPPQHQHCDTSRT-IUODEOHRSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCOCC(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC[C@H]21 ZINC001573343233 947555283 /nfs/dbraw/zinc/55/52/83/947555283.db2.gz LCPPQHQHCDTSRT-IUODEOHRSA-N -1 3 385.428 0.460 20 30 GCEDHM C=CCOCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C(C)(C)C1 ZINC001573343254 947555368 /nfs/dbraw/zinc/55/53/68/947555368.db2.gz LPSJSTLXCYSEDB-AWEZNQCLSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CCOCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001573343254 947555378 /nfs/dbraw/zinc/55/53/78/947555378.db2.gz LPSJSTLXCYSEDB-AWEZNQCLSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CCOCC(=O)N1CCO[C@@H]([C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573343265 947555824 /nfs/dbraw/zinc/55/58/24/947555824.db2.gz LVKRRBKBLGWUEQ-UKRRQHHQSA-N -1 3 387.444 0.801 20 30 GCEDHM C=CCOCC(=O)N1CCO[C@@H]([C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573343265 947555831 /nfs/dbraw/zinc/55/58/31/947555831.db2.gz LVKRRBKBLGWUEQ-UKRRQHHQSA-N -1 3 387.444 0.801 20 30 GCEDHM C=CCOCC(=O)N1CCCO[C@@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573343251 947555894 /nfs/dbraw/zinc/55/58/94/947555894.db2.gz LMSVLNSXOCAHBF-AWEZNQCLSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCOCC(=O)N1CCCO[C@@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573343251 947555898 /nfs/dbraw/zinc/55/58/98/947555898.db2.gz LMSVLNSXOCAHBF-AWEZNQCLSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCOCC(=O)N1CCC[C@H](CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573343857 947563990 /nfs/dbraw/zinc/56/39/90/947563990.db2.gz UIPWSMPYDOUWLR-CYBMUJFWSA-N -1 3 387.444 0.708 20 30 GCEDHM C=CCOCC(=O)N1CCC[C@H](CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573343857 947563999 /nfs/dbraw/zinc/56/39/99/947563999.db2.gz UIPWSMPYDOUWLR-CYBMUJFWSA-N -1 3 387.444 0.708 20 30 GCEDHM C=CCOCCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C ZINC001573347082 947571068 /nfs/dbraw/zinc/57/10/68/947571068.db2.gz AELZODXITQJAOY-QWHCGFSZSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCOCCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001573347082 947571072 /nfs/dbraw/zinc/57/10/72/947571072.db2.gz AELZODXITQJAOY-QWHCGFSZSA-N -1 3 387.444 0.897 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001573350700 947601008 /nfs/dbraw/zinc/60/10/08/947601008.db2.gz JAHZTPFISIRRHI-PMPSAXMXSA-N -1 3 382.424 0.675 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001573350700 947601012 /nfs/dbraw/zinc/60/10/12/947601012.db2.gz JAHZTPFISIRRHI-PMPSAXMXSA-N -1 3 382.424 0.675 20 30 GCEDHM C[C@H](C(=O)N1CC[C@H](N(C)c2cccc(-c3nnn[n-]3)c2)C1)n1cnc(C#N)n1 ZINC001573615261 947602765 /nfs/dbraw/zinc/60/27/65/947602765.db2.gz CRXHAWJYVPZRGU-DOMZBBRYSA-N -1 3 392.427 0.628 20 30 GCEDHM C[C@H](C(=O)N1CC[C@H](N(C)c2cccc(-c3nn[n-]n3)c2)C1)n1cnc(C#N)n1 ZINC001573615261 947602771 /nfs/dbraw/zinc/60/27/71/947602771.db2.gz CRXHAWJYVPZRGU-DOMZBBRYSA-N -1 3 392.427 0.628 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573350767 947603740 /nfs/dbraw/zinc/60/37/40/947603740.db2.gz GERPEBUKJJRBRJ-ZFWWWQNUSA-N -1 3 384.444 0.684 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573350767 947603751 /nfs/dbraw/zinc/60/37/51/947603751.db2.gz GERPEBUKJJRBRJ-ZFWWWQNUSA-N -1 3 384.444 0.684 20 30 GCEDHM C=CCn1cc(C(=O)NC[C@@H](CC)Nc2ncc(-c3nnn[n-]3)cc2F)nn1 ZINC001573350852 947604103 /nfs/dbraw/zinc/60/41/03/947604103.db2.gz JLULJGXVOUWEMV-LLVKDONJSA-N -1 3 386.395 0.799 20 30 GCEDHM C=CCn1cc(C(=O)NC[C@@H](CC)Nc2ncc(-c3nn[n-]n3)cc2F)nn1 ZINC001573350852 947604109 /nfs/dbraw/zinc/60/41/09/947604109.db2.gz JLULJGXVOUWEMV-LLVKDONJSA-N -1 3 386.395 0.799 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573351036 947608726 /nfs/dbraw/zinc/60/87/26/947608726.db2.gz ILOBMHWCZPOJPD-GUTXKFCHSA-N -1 3 385.428 0.507 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573351036 947608738 /nfs/dbraw/zinc/60/87/38/947608738.db2.gz ILOBMHWCZPOJPD-GUTXKFCHSA-N -1 3 385.428 0.507 20 30 GCEDHM C=CCn1cc(C(=O)Nc2ccccc2-n2ncc(-c3nnn[n-]3)c2N)nn1 ZINC001573351166 947610703 /nfs/dbraw/zinc/61/07/03/947610703.db2.gz NJGCONNUGFNXLT-UHFFFAOYSA-N -1 3 377.372 0.664 20 30 GCEDHM C=CCn1cc(C(=O)Nc2ccccc2-n2ncc(-c3nn[n-]n3)c2N)nn1 ZINC001573351166 947610709 /nfs/dbraw/zinc/61/07/09/947610709.db2.gz NJGCONNUGFNXLT-UHFFFAOYSA-N -1 3 377.372 0.664 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573351292 947613419 /nfs/dbraw/zinc/61/34/19/947613419.db2.gz PLRUUTDOSDICGC-UVBSCNOISA-N -1 3 385.428 0.507 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573351292 947613423 /nfs/dbraw/zinc/61/34/23/947613423.db2.gz PLRUUTDOSDICGC-UVBSCNOISA-N -1 3 385.428 0.507 20 30 GCEDHM C[C@H](C(=O)N1CCC(Nc2ccccc2-c2nnn[n-]2)CC1)n1cnc(C#N)n1 ZINC001573622967 947683107 /nfs/dbraw/zinc/68/31/07/947683107.db2.gz CPVYJPHCLQBRFL-GFCCVEGCSA-N -1 3 392.427 0.994 20 30 GCEDHM C[C@H](C(=O)N1CCC(Nc2ccccc2-c2nn[n-]n2)CC1)n1cnc(C#N)n1 ZINC001573622967 947683113 /nfs/dbraw/zinc/68/31/13/947683113.db2.gz CPVYJPHCLQBRFL-GFCCVEGCSA-N -1 3 392.427 0.994 20 30 GCEDHM Cc1cccc(Cn2[nH]ccc2=NC(=O)Cn2cnc(C#N)c2-c2nnn[n-]2)c1 ZINC000826298361 947862766 /nfs/dbraw/zinc/86/27/66/947862766.db2.gz PGGXJQDWJUVMBF-UHFFFAOYSA-N -1 3 388.395 0.549 20 30 GCEDHM Cc1cccc(Cn2[nH]ccc2=NC(=O)Cn2cnc(C#N)c2-c2nn[n-]n2)c1 ZINC000826298361 947862773 /nfs/dbraw/zinc/86/27/73/947862773.db2.gz PGGXJQDWJUVMBF-UHFFFAOYSA-N -1 3 388.395 0.549 20 30 GCEDHM N#C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826379250 948171977 /nfs/dbraw/zinc/17/19/77/948171977.db2.gz NEJRCBMXZRSKIF-NSHDSACASA-N -1 3 379.336 0.927 20 30 GCEDHM N#Cc1cccc(NC(=O)COC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826387446 948189960 /nfs/dbraw/zinc/18/99/60/948189960.db2.gz VSBYCFQWSFSXFE-MRXNPFEDSA-N -1 3 378.348 0.954 20 30 GCEDHM N#Cc1cccc(NC(=O)COC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826387446 948189967 /nfs/dbraw/zinc/18/99/67/948189967.db2.gz VSBYCFQWSFSXFE-MRXNPFEDSA-N -1 3 378.348 0.954 20 30 GCEDHM CC1(Nc2cnc(C#N)cn2)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575853572 949213202 /nfs/dbraw/zinc/21/32/02/949213202.db2.gz SXEQGMPKTDOBMJ-UHFFFAOYSA-N -1 3 378.400 0.963 20 30 GCEDHM CC1(Nc2cnc(C#N)cn2)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575853572 949213234 /nfs/dbraw/zinc/21/32/34/949213234.db2.gz SXEQGMPKTDOBMJ-UHFFFAOYSA-N -1 3 378.400 0.963 20 30 GCEDHM CC(C)(C)C#CC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001573793030 949280768 /nfs/dbraw/zinc/28/07/68/949280768.db2.gz IPKGSCXXMQWBRR-LBPRGKRZSA-N -1 3 385.428 0.202 20 30 GCEDHM CC(C)(C)C#CC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001573793030 949280787 /nfs/dbraw/zinc/28/07/87/949280787.db2.gz IPKGSCXXMQWBRR-LBPRGKRZSA-N -1 3 385.428 0.202 20 30 GCEDHM CC(C)(C)C#CC(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573793583 949299804 /nfs/dbraw/zinc/29/98/04/949299804.db2.gz VSQLDJIQOVNKDD-LBPRGKRZSA-N -1 3 385.428 0.202 20 30 GCEDHM CC(C)(C)C#CC(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573793583 949299822 /nfs/dbraw/zinc/29/98/22/949299822.db2.gz VSQLDJIQOVNKDD-LBPRGKRZSA-N -1 3 385.428 0.202 20 30 GCEDHM CC(C)(C)C(=O)N1CCO[C@H](C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC001573794193 949313327 /nfs/dbraw/zinc/31/33/27/949313327.db2.gz CPOBKSWGJWPQSV-AWEZNQCLSA-N -1 3 383.412 0.950 20 30 GCEDHM CC(C)(C)C(=O)N1CCO[C@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC001573794193 949313342 /nfs/dbraw/zinc/31/33/42/949313342.db2.gz CPOBKSWGJWPQSV-AWEZNQCLSA-N -1 3 383.412 0.950 20 30 GCEDHM C[C@@H]1CCCN(C(=O)C#CC2CC2)[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576169424 949675637 /nfs/dbraw/zinc/67/56/37/949675637.db2.gz XVBFPTDZHJIHHL-WBMJQRKESA-N -1 3 381.440 0.965 20 30 GCEDHM C[C@@H]1CCCN(C(=O)C#CC2CC2)[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576169424 949675649 /nfs/dbraw/zinc/67/56/49/949675649.db2.gz XVBFPTDZHJIHHL-WBMJQRKESA-N -1 3 381.440 0.965 20 30 GCEDHM CC(C)(C)[C@@H](CNc1ccnc(C#N)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573820277 949763819 /nfs/dbraw/zinc/76/38/19/949763819.db2.gz WZLXIKSVGOLIBJ-GFCCVEGCSA-N -1 3 380.416 0.535 20 30 GCEDHM CC(C)(C)[C@@H](CNc1ccnc(C#N)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573820277 949763838 /nfs/dbraw/zinc/76/38/38/949763838.db2.gz WZLXIKSVGOLIBJ-GFCCVEGCSA-N -1 3 380.416 0.535 20 30 GCEDHM CC(C)(C)[C@@H](CNc1ccnc(C#N)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573820333 949763879 /nfs/dbraw/zinc/76/38/79/949763879.db2.gz YAGCAXSYGLSUFR-GFCCVEGCSA-N -1 3 380.416 0.535 20 30 GCEDHM CC(C)(C)[C@@H](CNc1ccnc(C#N)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573820333 949763890 /nfs/dbraw/zinc/76/38/90/949763890.db2.gz YAGCAXSYGLSUFR-GFCCVEGCSA-N -1 3 380.416 0.535 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575883925 949835999 /nfs/dbraw/zinc/83/59/99/949835999.db2.gz HKZRYDIPBNTOFA-TVQRCGJNSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575883925 949836017 /nfs/dbraw/zinc/83/60/17/949836017.db2.gz HKZRYDIPBNTOFA-TVQRCGJNSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575883927 949836959 /nfs/dbraw/zinc/83/69/59/949836959.db2.gz HKZRYDIPBNTOFA-ZANVPECISA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575883927 949836979 /nfs/dbraw/zinc/83/69/79/949836979.db2.gz HKZRYDIPBNTOFA-ZANVPECISA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1CNc1ccnc(C#N)n1 ZINC001576180415 949957484 /nfs/dbraw/zinc/95/74/84/949957484.db2.gz HQXVVYLHUOFUSG-SMDDNHRTSA-N -1 3 392.427 0.631 20 30 GCEDHM C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1CNc1ccnc(C#N)n1 ZINC001576180415 949957504 /nfs/dbraw/zinc/95/75/04/949957504.db2.gz HQXVVYLHUOFUSG-SMDDNHRTSA-N -1 3 392.427 0.631 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575891154 949988217 /nfs/dbraw/zinc/98/82/17/949988217.db2.gz FSSYZHVRFNSGMT-KOLCDFICSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575891154 949988236 /nfs/dbraw/zinc/98/82/36/949988236.db2.gz FSSYZHVRFNSGMT-KOLCDFICSA-N -1 3 379.384 0.428 20 30 GCEDHM CC(C)C[C@@H](CNc1ccnc(C#N)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574158300 950275866 /nfs/dbraw/zinc/27/58/66/950275866.db2.gz QKLNCHBEIGVHAO-NSHDSACASA-N -1 3 380.416 0.535 20 30 GCEDHM CC(C)C[C@@H](CNc1ccnc(C#N)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574158300 950275879 /nfs/dbraw/zinc/27/58/79/950275879.db2.gz QKLNCHBEIGVHAO-NSHDSACASA-N -1 3 380.416 0.535 20 30 GCEDHM C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576218327 950785974 /nfs/dbraw/zinc/78/59/74/950785974.db2.gz QSJOFRXXXKBDOM-TZMCWYRMSA-N -1 3 381.440 0.823 20 30 GCEDHM C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576218327 950785992 /nfs/dbraw/zinc/78/59/92/950785992.db2.gz QSJOFRXXXKBDOM-TZMCWYRMSA-N -1 3 381.440 0.823 20 30 GCEDHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC#Cc1ccccc1 ZINC001575014475 950903639 /nfs/dbraw/zinc/90/36/39/950903639.db2.gz GFORCZCLTPOJGD-ZDUSSCGKSA-N -1 3 377.408 0.871 20 30 GCEDHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC#Cc1ccccc1 ZINC001575014475 950903657 /nfs/dbraw/zinc/90/36/57/950903657.db2.gz GFORCZCLTPOJGD-ZDUSSCGKSA-N -1 3 377.408 0.871 20 30 GCEDHM C[C@](CNc1cnc(C#N)cn1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575156888 952258073 /nfs/dbraw/zinc/25/80/73/952258073.db2.gz XFILNUBLRMKRBL-QGZVFWFLSA-N -1 3 378.400 0.867 20 30 GCEDHM C[C@](CNc1cnc(C#N)cn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575156888 952258077 /nfs/dbraw/zinc/25/80/77/952258077.db2.gz XFILNUBLRMKRBL-QGZVFWFLSA-N -1 3 378.400 0.867 20 30 GCEDHM N#Cc1ccc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001571115539 952467835 /nfs/dbraw/zinc/46/78/35/952467835.db2.gz XVACIOFMNJFBMJ-GASCZTMLSA-N -1 3 375.396 0.955 20 30 GCEDHM N#Cc1ccc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001571115539 952467839 /nfs/dbraw/zinc/46/78/39/952467839.db2.gz XVACIOFMNJFBMJ-GASCZTMLSA-N -1 3 375.396 0.955 20 30 GCEDHM N#Cc1nccnc1N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571120781 952508278 /nfs/dbraw/zinc/50/82/78/952508278.db2.gz PUCUBRWOCMNUPQ-TXEJJXNPSA-N -1 3 376.384 0.350 20 30 GCEDHM N#Cc1nccnc1N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571120781 952508283 /nfs/dbraw/zinc/50/82/83/952508283.db2.gz PUCUBRWOCMNUPQ-TXEJJXNPSA-N -1 3 376.384 0.350 20 30 GCEDHM C=C(Cl)CN1CCO[C@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001571128555 952568587 /nfs/dbraw/zinc/56/85/87/952568587.db2.gz ULRUNAPARXOVHJ-MRXNPFEDSA-N -1 3 377.836 0.864 20 30 GCEDHM C=C(Cl)CN1CCO[C@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571128555 952568589 /nfs/dbraw/zinc/56/85/89/952568589.db2.gz ULRUNAPARXOVHJ-MRXNPFEDSA-N -1 3 377.836 0.864 20 30 GCEDHM C[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CN1c1cnc(C#N)cn1 ZINC001571135702 952608144 /nfs/dbraw/zinc/60/81/44/952608144.db2.gz BIWRPCQZPZLKOS-GHMZBOCLSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CN1c1cnc(C#N)cn1 ZINC001571135702 952608146 /nfs/dbraw/zinc/60/81/46/952608146.db2.gz BIWRPCQZPZLKOS-GHMZBOCLSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1C[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571135851 952608798 /nfs/dbraw/zinc/60/87/98/952608798.db2.gz GDWVMIPPLGTKJV-PWSUYJOCSA-N -1 3 378.400 0.962 20 30 GCEDHM C[C@@H]1C[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571135851 952608803 /nfs/dbraw/zinc/60/88/03/952608803.db2.gz GDWVMIPPLGTKJV-PWSUYJOCSA-N -1 3 378.400 0.962 20 30 GCEDHM N#Cc1cnc(NC[C@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001571135888 952610157 /nfs/dbraw/zinc/61/01/57/952610157.db2.gz HBJYKGNNYNNOPC-CYBMUJFWSA-N -1 3 378.400 0.963 20 30 GCEDHM N#Cc1cnc(NC[C@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001571135888 952610160 /nfs/dbraw/zinc/61/01/60/952610160.db2.gz HBJYKGNNYNNOPC-CYBMUJFWSA-N -1 3 378.400 0.963 20 30 GCEDHM N#Cc1nccc(NC[C@@H]2CCCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001571135958 952611241 /nfs/dbraw/zinc/61/12/41/952611241.db2.gz JEWXZJSRBQJUEC-LBPRGKRZSA-N -1 3 378.400 0.385 20 30 GCEDHM N#Cc1nccc(NC[C@@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001571135958 952611244 /nfs/dbraw/zinc/61/12/44/952611244.db2.gz JEWXZJSRBQJUEC-LBPRGKRZSA-N -1 3 378.400 0.385 20 30 GCEDHM N#Cc1nccnc1NC[C@@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571136196 952612891 /nfs/dbraw/zinc/61/28/91/952612891.db2.gz NYGUUEFWXHXVGQ-LBPRGKRZSA-N -1 3 378.400 0.963 20 30 GCEDHM N#Cc1nccnc1NC[C@@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571136196 952612893 /nfs/dbraw/zinc/61/28/93/952612893.db2.gz NYGUUEFWXHXVGQ-LBPRGKRZSA-N -1 3 378.400 0.963 20 30 GCEDHM Cc1cc(C#N)nc(N[C@H]2C[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571136408 952613683 /nfs/dbraw/zinc/61/36/83/952613683.db2.gz PMHQRAJRPBDMMV-UMSPYCQHSA-N -1 3 378.400 0.785 20 30 GCEDHM Cc1cc(C#N)nc(N[C@H]2C[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571136408 952613687 /nfs/dbraw/zinc/61/36/87/952613687.db2.gz PMHQRAJRPBDMMV-UMSPYCQHSA-N -1 3 378.400 0.785 20 30 GCEDHM CC1(C)CN(c2cncc(C#N)n2)C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571136786 952616006 /nfs/dbraw/zinc/61/60/06/952616006.db2.gz VYYSIYRBNUZJHS-CYBMUJFWSA-N -1 3 378.400 0.501 20 30 GCEDHM CC1(C)CN(c2cncc(C#N)n2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571136786 952616013 /nfs/dbraw/zinc/61/60/13/952616013.db2.gz VYYSIYRBNUZJHS-CYBMUJFWSA-N -1 3 378.400 0.501 20 30 GCEDHM N#Cc1cc(C(=O)N[C@H]2C[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c[nH]1 ZINC001571139111 952618917 /nfs/dbraw/zinc/61/89/17/952618917.db2.gz CASRVYOYIFFDOE-OTCDBFHCSA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1cc(C(=O)N[C@H]2C[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c[nH]1 ZINC001571139111 952618923 /nfs/dbraw/zinc/61/89/23/952618923.db2.gz CASRVYOYIFFDOE-OTCDBFHCSA-N -1 3 379.384 0.333 20 30 GCEDHM N#C[C@@H]1CN(C(=O)Nc2cnn(Cc3ccc(-c4nnn[n-]4)cc3)c2)CCO1 ZINC001571139914 952622260 /nfs/dbraw/zinc/62/22/60/952622260.db2.gz KVNZOEFRMWTXQK-OAHLLOKOSA-N -1 3 379.384 0.868 20 30 GCEDHM N#C[C@@H]1CN(C(=O)Nc2cnn(Cc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC001571139914 952622263 /nfs/dbraw/zinc/62/22/63/952622263.db2.gz KVNZOEFRMWTXQK-OAHLLOKOSA-N -1 3 379.384 0.868 20 30 GCEDHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571140364 952624207 /nfs/dbraw/zinc/62/42/07/952624207.db2.gz PWUGZUVOYFCWGR-NSHDSACASA-N -1 3 379.384 0.381 20 30 GCEDHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571140364 952624210 /nfs/dbraw/zinc/62/42/10/952624210.db2.gz PWUGZUVOYFCWGR-NSHDSACASA-N -1 3 379.384 0.381 20 30 GCEDHM C[C@@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001571141319 952632830 /nfs/dbraw/zinc/63/28/30/952632830.db2.gz XMEHEALBMVZHSN-NOZJJQNGSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001571141319 952632840 /nfs/dbraw/zinc/63/28/40/952632840.db2.gz XMEHEALBMVZHSN-NOZJJQNGSA-N -1 3 379.384 0.428 20 30 GCEDHM CC(C)(Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)NCCn1cnc(C#N)n1 ZINC001571161892 952736191 /nfs/dbraw/zinc/73/61/91/952736191.db2.gz DNZXKWOGIPHIQL-UHFFFAOYSA-N -1 3 380.416 0.650 20 30 GCEDHM CC(C)(Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)NCCn1cnc(C#N)n1 ZINC001571161892 952736196 /nfs/dbraw/zinc/73/61/96/952736196.db2.gz DNZXKWOGIPHIQL-UHFFFAOYSA-N -1 3 380.416 0.650 20 30 GCEDHM N#CC1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CCOCC1 ZINC001571206560 953052881 /nfs/dbraw/zinc/05/28/81/953052881.db2.gz QYOHAZRKMJRKSD-CQSZACIVSA-N -1 3 382.428 0.985 20 30 GCEDHM N#CC1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CCOCC1 ZINC001571206560 953052885 /nfs/dbraw/zinc/05/28/85/953052885.db2.gz QYOHAZRKMJRKSD-CQSZACIVSA-N -1 3 382.428 0.985 20 30 GCEDHM C#CCNC(=O)C1CCN(C[C@H](O)COc2ccc(C(=O)[O-])cc2OC)CC1 ZINC001588479307 983518785 /nfs/dbraw/zinc/51/87/85/983518785.db2.gz JAEYHLZYZXYGIB-INIZCTEOSA-N -1 3 390.436 0.595 20 30 GCEDHM CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001598224286 990906453 /nfs/dbraw/zinc/90/64/53/990906453.db2.gz CHXYLDOVENIRRV-UHFFFAOYSA-N -1 3 394.497 0.903 20 30 GCEDHM CN(CCNS(=O)(=O)c1ccc(C#N)c(Br)c1)CC(=O)[O-] ZINC001598494218 992340839 /nfs/dbraw/zinc/34/08/39/992340839.db2.gz PIUIGJCLCPCMHA-UHFFFAOYSA-N -1 3 376.232 0.615 20 30 GCEDHM CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@@H](C(=O)[O-])C1 ZINC001598607326 993689717 /nfs/dbraw/zinc/68/97/17/993689717.db2.gz PBZXXMJCWGBRST-HZSPNIEDSA-N -1 3 395.460 0.403 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC(=O)N1CCNCC1 ZINC000578650634 530160000 /nfs/dbraw/zinc/16/00/00/530160000.db2.gz AWEOZBBTIIFJJN-UHFFFAOYSA-N -1 3 387.259 0.031 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000298428244 530172300 /nfs/dbraw/zinc/17/23/00/530172300.db2.gz WBHLXWJZMZPHCH-GFCCVEGCSA-N -1 3 390.458 0.549 20 30 GCEDHM CCN(C[C@@H](C)C#N)S(=O)(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000409507340 530229678 /nfs/dbraw/zinc/22/96/78/530229678.db2.gz ISBHBWCQNIZVMP-NSHDSACASA-N -1 3 380.517 0.342 20 30 GCEDHM CCOC(=O)[C@H](CCOC(C)(C)C)[N-]S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000409488725 530229765 /nfs/dbraw/zinc/22/97/65/530229765.db2.gz WRNKDQZXCAFWEF-STQMWFEESA-N -1 3 377.463 0.182 20 30 GCEDHM CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000409570176 530230501 /nfs/dbraw/zinc/23/05/01/530230501.db2.gz KELJNWOCHCYADC-JTQLQIEISA-N -1 3 380.517 0.472 20 30 GCEDHM N#CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)NCC2(O)CCC2)CC1 ZINC000516938675 530233935 /nfs/dbraw/zinc/23/39/35/530233935.db2.gz VVHCYRMJKRBVRU-UHFFFAOYSA-N -1 3 385.467 0.214 20 30 GCEDHM N#CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)NC[C@H]2C[C@@H](O)C2)CC1 ZINC000600759730 530242166 /nfs/dbraw/zinc/24/21/66/530242166.db2.gz FTBIACNYUWSMMH-TXEJJXNPSA-N -1 3 385.467 0.070 20 30 GCEDHM CN1CCN(CC[N-]S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000287536029 530244355 /nfs/dbraw/zinc/24/43/55/530244355.db2.gz WELBGEGZYCUMAB-UHFFFAOYSA-N -1 3 387.303 0.846 20 30 GCEDHM CN(C)S(=O)(=O)C[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1)C(F)(F)F ZINC000285122189 530218694 /nfs/dbraw/zinc/21/86/94/530218694.db2.gz PFVRWHBWYRXAAJ-NSHDSACASA-N -1 3 385.389 0.659 20 30 GCEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000285504668 530221692 /nfs/dbraw/zinc/22/16/92/530221692.db2.gz QIFPUZDPFSTTBN-CYBMUJFWSA-N -1 3 387.458 0.932 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H](O)[C@H]1CCOC1 ZINC000561518230 530279770 /nfs/dbraw/zinc/27/97/70/530279770.db2.gz WKDJNWKYCZIDEO-JOYOIKCWSA-N -1 3 375.244 0.996 20 30 GCEDHM CSCC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(=O)N(C)C ZINC000561729857 530282792 /nfs/dbraw/zinc/28/27/92/530282792.db2.gz NOSCMIXXVWHDRV-NSHDSACASA-N -1 3 386.455 0.955 20 30 GCEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(O)CCS(=O)(=O)CC2)c1 ZINC000551575399 530253856 /nfs/dbraw/zinc/25/38/56/530253856.db2.gz GSBTVLVLUWIHAX-UHFFFAOYSA-N -1 3 378.859 0.430 20 30 GCEDHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCOC[C@@H]2C#N)c(OC)c1 ZINC000270491461 530260913 /nfs/dbraw/zinc/26/09/13/530260913.db2.gz KICWOVKIFAYXAP-LBPRGKRZSA-N -1 3 389.455 0.370 20 30 GCEDHM CN(C)S(=O)(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(CC#N)c1)C(F)(F)F ZINC000586770400 530307504 /nfs/dbraw/zinc/30/75/04/530307504.db2.gz HHAHRYIYMLQRSE-GFCCVEGCSA-N -1 3 399.416 0.853 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)CCNCC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000584227014 530360048 /nfs/dbraw/zinc/36/00/48/530360048.db2.gz AWERLNAKJBPFMM-UHFFFAOYSA-N -1 3 399.519 0.962 20 30 GCEDHM COC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C(=O)OC ZINC000564237888 530350369 /nfs/dbraw/zinc/35/03/69/530350369.db2.gz LITJLUYCNARFEN-JTQLQIEISA-N -1 3 377.216 0.787 20 30 GCEDHM C[C@@H](O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000580329193 530376282 /nfs/dbraw/zinc/37/62/82/530376282.db2.gz OLGCXSUWRFIERJ-IAQYHMDHSA-N -1 3 387.483 0.316 20 30 GCEDHM N#C[C@@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000283626873 530380884 /nfs/dbraw/zinc/38/08/84/530380884.db2.gz BLLBAFOSRGXYAN-SNVBAGLBSA-N -1 3 377.344 0.735 20 30 GCEDHM COC(=O)CC[C@H]([N-]S(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)OC(C)(C)C ZINC000593615143 530422909 /nfs/dbraw/zinc/42/29/09/530422909.db2.gz LGZGBKJAEPYHDE-RYUDHWBXSA-N -1 3 377.463 0.576 20 30 GCEDHM CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)CO)cc1 ZINC000594628934 530433119 /nfs/dbraw/zinc/43/31/19/530433119.db2.gz QGVODIOYNAZXCI-UHFFFAOYSA-N -1 3 397.425 0.127 20 30 GCEDHM C[C@H](CO)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000594634102 530435831 /nfs/dbraw/zinc/43/58/31/530435831.db2.gz ICWLMXSMTGZRCG-BXUZGUMPSA-N -1 3 389.499 0.562 20 30 GCEDHM C[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C[C@H](C)O1 ZINC000594634978 530436367 /nfs/dbraw/zinc/43/63/67/530436367.db2.gz IMDUFHHDPVLSPK-CLLJXQQHSA-N -1 3 387.483 0.723 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCCS(=O)(=O)N1CC=CCC1 ZINC000594637977 530437484 /nfs/dbraw/zinc/43/74/84/530437484.db2.gz AQXOGLCEEZMKPX-HNNXBMFYSA-N -1 3 375.516 0.970 20 30 GCEDHM CC[C@@H](O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C#N ZINC000594633466 530434869 /nfs/dbraw/zinc/43/48/69/530434869.db2.gz NGLANBALHCYSOG-NWDGAFQWSA-N -1 3 375.472 0.268 20 30 GCEDHM CC[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H](C)O ZINC000594633248 530435081 /nfs/dbraw/zinc/43/50/81/530435081.db2.gz AQTFILXJVFQUEE-RYUDHWBXSA-N -1 3 375.472 0.268 20 30 GCEDHM C[C@@H](CO)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C#N ZINC000594633606 530435329 /nfs/dbraw/zinc/43/53/29/530435329.db2.gz XQIRLFRDPPQCOL-NEPJUHHUSA-N -1 3 375.472 0.126 20 30 GCEDHM CO[C@H](C)[C@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000594633713 530435555 /nfs/dbraw/zinc/43/55/55/530435555.db2.gz BLSWCRFOWZHXPY-NWDGAFQWSA-N -1 3 389.499 0.969 20 30 GCEDHM CN(CC1=CCCOC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000595958759 530450878 /nfs/dbraw/zinc/45/08/78/530450878.db2.gz HSEMEVCMBSQAHD-UHFFFAOYSA-N -1 3 385.467 0.456 20 30 GCEDHM CC1=C([O-])N(C)S(=O)(=O)N1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000295140685 530461166 /nfs/dbraw/zinc/46/11/66/530461166.db2.gz DTSPBSYIIKDOQF-NSHDSACASA-N -1 3 384.845 0.994 20 30 GCEDHM CC1=C([O-])N(C)S(=O)(=O)N1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000295140683 530461364 /nfs/dbraw/zinc/46/13/64/530461364.db2.gz DTSPBSYIIKDOQF-LLVKDONJSA-N -1 3 384.845 0.994 20 30 GCEDHM COCCN(CCC#N)S(=O)(=O)[N-][C@H](C[C@H]1CCCOC1)C(=O)OC ZINC000599455802 530472066 /nfs/dbraw/zinc/47/20/66/530472066.db2.gz FVCKFZLZHIUMTB-ZIAGYGMSSA-N -1 3 377.463 0.041 20 30 GCEDHM COCCN(CCC#N)S(=O)(=O)[N-][C@H](C[C@@H]1CCCOC1)C(=O)OC ZINC000599455801 530472218 /nfs/dbraw/zinc/47/22/18/530472218.db2.gz FVCKFZLZHIUMTB-UONOGXRCSA-N -1 3 377.463 0.041 20 30 GCEDHM COCCN(CCC#N)S(=O)(=O)[N-][C@@H](C[C@H]1CCCOC1)C(=O)OC ZINC000599455800 530472256 /nfs/dbraw/zinc/47/22/56/530472256.db2.gz FVCKFZLZHIUMTB-KGLIPLIRSA-N -1 3 377.463 0.041 20 30 GCEDHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C#N ZINC000563429767 530525505 /nfs/dbraw/zinc/52/55/05/530525505.db2.gz BRJVKSADIXMZEN-JHJVBQTASA-N -1 3 389.499 0.921 20 30 GCEDHM CC[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C#N)[C@@H](C)O ZINC000563431352 530525982 /nfs/dbraw/zinc/52/59/82/530525982.db2.gz OWKMHKLNMHVSHE-UPJWGTAASA-N -1 3 389.499 0.657 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@](C)(O)C1CC1 ZINC000563432950 530526054 /nfs/dbraw/zinc/52/60/54/530526054.db2.gz RFNPVXKMECFWAP-HNNXBMFYSA-N -1 3 387.483 0.270 20 30 GCEDHM C[C@@H](O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C(C)(C)C#N ZINC000566488336 530530787 /nfs/dbraw/zinc/53/07/87/530530787.db2.gz TYYQNZFKDSMFSG-LLVKDONJSA-N -1 3 375.472 0.268 20 30 GCEDHM CC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N)[C@H]1CCCO1 ZINC000566489051 530530934 /nfs/dbraw/zinc/53/09/34/530530934.db2.gz SXOAZZRFKXJAGU-QWHCGFSZSA-N -1 3 387.483 0.724 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@]1(C)CCOC1 ZINC000566689888 530532630 /nfs/dbraw/zinc/53/26/30/530532630.db2.gz DXTVNZPYFLMZJM-WFASDCNBSA-N -1 3 387.483 0.582 20 30 GCEDHM N#CCC1(O)CN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000572506421 530550477 /nfs/dbraw/zinc/55/04/77/530550477.db2.gz PGSYSYVTZHRLAG-UHFFFAOYSA-N -1 3 378.237 0.759 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC(C)(C)C(C)(C)O ZINC000567520988 530543995 /nfs/dbraw/zinc/54/39/95/530543995.db2.gz MCOPVZIQHFVCDR-NSHDSACASA-N -1 3 389.499 0.705 20 30 GCEDHM N#CC1(C[C@@H](O)CN2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)CC1 ZINC000528470310 530582985 /nfs/dbraw/zinc/58/29/85/530582985.db2.gz HMUZDMIRCSJMLP-GFCCVEGCSA-N -1 3 384.424 0.492 20 30 GCEDHM CC(C)[C@@](C)(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000568256589 530557082 /nfs/dbraw/zinc/55/70/82/530557082.db2.gz XVVOCNVAUJNJQO-WFASDCNBSA-N -1 3 389.499 0.562 20 30 GCEDHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CC#N)CC#N ZINC000568412873 530559177 /nfs/dbraw/zinc/55/91/77/530559177.db2.gz MHIVJCNHSWXDKD-CHWSQXEVSA-N -1 3 382.467 0.659 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H](O)C1CC1 ZINC000568647316 530561869 /nfs/dbraw/zinc/56/18/69/530561869.db2.gz PRFQUGQFSUVBOF-WCQYABFASA-N -1 3 387.483 0.268 20 30 GCEDHM C#CCN(C)CCC[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000293778073 530567535 /nfs/dbraw/zinc/56/75/35/530567535.db2.gz LOMCVFGVOQNIJX-UHFFFAOYSA-N -1 3 378.903 0.977 20 30 GCEDHM CCS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000438886844 530572191 /nfs/dbraw/zinc/57/21/91/530572191.db2.gz OHUSUALZMUBPAR-UHFFFAOYSA-N -1 3 377.875 0.771 20 30 GCEDHM COC1(C)CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C(C)(C)C#N)C1 ZINC000573578909 530581769 /nfs/dbraw/zinc/58/17/69/530581769.db2.gz YTVWIJSLLFUTMU-UHFFFAOYSA-N -1 3 387.483 0.676 20 30 GCEDHM C[C@@H]1COCC[C@H]1CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000519181778 530589717 /nfs/dbraw/zinc/58/97/17/530589717.db2.gz QGTNWFMLFYKJAX-OLZOCXBDSA-N -1 3 387.483 0.439 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC ZINC000451861840 530590801 /nfs/dbraw/zinc/59/08/01/530590801.db2.gz NPQYHGPZPFVVLO-BDAKNGLRSA-N -1 3 375.424 0.943 20 30 GCEDHM Cc1nnsc1C[N-]S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC000574465609 530590926 /nfs/dbraw/zinc/59/09/26/530590926.db2.gz MGRLZAFVLGUMKG-UHFFFAOYSA-N -1 3 387.468 0.127 20 30 GCEDHM CC#CC[C@@H](CO)NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000645491559 530602558 /nfs/dbraw/zinc/60/25/58/530602558.db2.gz HAJGKHJEOYNPEU-LBPRGKRZSA-N -1 3 391.852 0.831 20 30 GCEDHM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)C1 ZINC000329123767 530606681 /nfs/dbraw/zinc/60/66/81/530606681.db2.gz LODHRYNLXFIBFN-SNVBAGLBSA-N -1 3 386.865 0.978 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC000574218622 530588488 /nfs/dbraw/zinc/58/84/88/530588488.db2.gz GMIFTQLQTQEILE-ZLKJLUDKSA-N -1 3 387.483 0.315 20 30 GCEDHM COCCN(CC#N)C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000457186248 530622914 /nfs/dbraw/zinc/62/29/14/530622914.db2.gz XMSRVQIEALASCT-UHFFFAOYSA-N -1 3 396.288 0.787 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](O)C[C@@H]1C ZINC000349450733 530636668 /nfs/dbraw/zinc/63/66/68/530636668.db2.gz MIJUIRKLLBVJEJ-RWMBFGLXSA-N -1 3 387.483 0.411 20 30 GCEDHM CN([C@@H]1CCOC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349465948 530642264 /nfs/dbraw/zinc/64/22/64/530642264.db2.gz DYZMTCSYKZPFFY-GFCCVEGCSA-N -1 3 385.467 0.430 20 30 GCEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(O)C2)C1 ZINC000349467940 530642690 /nfs/dbraw/zinc/64/26/90/530642690.db2.gz TYJFUVWSSFTUBV-HIFRSBDPSA-N -1 3 393.531 0.165 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000349466890 530642768 /nfs/dbraw/zinc/64/27/68/530642768.db2.gz RGSLRIUKRPDAGC-QLFBSQMISA-N -1 3 394.563 0.198 20 30 GCEDHM CN(C[C@H]1CCCCO1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349466784 530643030 /nfs/dbraw/zinc/64/30/30/530643030.db2.gz FWRCTYUQJWKQCF-CYBMUJFWSA-N -1 3 387.483 0.678 20 30 GCEDHM COC(=O)[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)OC ZINC000291958657 530620936 /nfs/dbraw/zinc/62/09/36/530620936.db2.gz PBUBZHLJKDNBDO-JTQLQIEISA-N -1 3 377.216 0.787 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000349471818 530644923 /nfs/dbraw/zinc/64/49/23/530644923.db2.gz VBZALTAKIRIBRZ-NTZNESFSSA-N -1 3 385.458 0.310 20 30 GCEDHM C[C@H](C#N)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349473806 530645832 /nfs/dbraw/zinc/64/58/32/530645832.db2.gz SXDXJUUOFSMXOB-GFCCVEGCSA-N -1 3 382.467 0.801 20 30 GCEDHM CN(CCO)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000349475987 530647059 /nfs/dbraw/zinc/64/70/59/530647059.db2.gz ZDTQGZXJPXAJAZ-OAHLLOKOSA-N -1 3 387.483 0.270 20 30 GCEDHM C[C@H]1CSCCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C1 ZINC000349476877 530647314 /nfs/dbraw/zinc/64/73/14/530647314.db2.gz DHUYGTDJALNKAM-GFCCVEGCSA-N -1 3 389.524 0.862 20 30 GCEDHM C[C@@H](O)CCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000349479146 530648705 /nfs/dbraw/zinc/64/87/05/530648705.db2.gz IIBGCDWGVYQQCV-NWDGAFQWSA-N -1 3 375.472 0.268 20 30 GCEDHM CN(C[C@@H]1CCC[C@H]1O)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349480812 530649620 /nfs/dbraw/zinc/64/96/20/530649620.db2.gz LKWJCPVMHKNVQD-QWHCGFSZSA-N -1 3 387.483 0.270 20 30 GCEDHM CN(CC(C)(C)O)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349482369 530650754 /nfs/dbraw/zinc/65/07/54/530650754.db2.gz RICRBCHSXVRJAS-UHFFFAOYSA-N -1 3 387.483 0.412 20 30 GCEDHM C[C@H](O)C[C@H]1CCCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349485245 530651940 /nfs/dbraw/zinc/65/19/40/530651940.db2.gz ZYPWYQBZMWVYEM-QWHCGFSZSA-N -1 3 387.483 0.412 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C ZINC000349496293 530657759 /nfs/dbraw/zinc/65/77/59/530657759.db2.gz GWFXWILEUPFIFT-CHWSQXEVSA-N -1 3 383.561 0.611 20 30 GCEDHM CO[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)C1 ZINC000349501175 530660136 /nfs/dbraw/zinc/66/01/36/530660136.db2.gz FUIUXKCGZIBFHN-JSGCOSHPSA-N -1 3 379.504 0.039 20 30 GCEDHM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)C[C@H]1C ZINC000349508007 530664289 /nfs/dbraw/zinc/66/42/89/530664289.db2.gz YUHIAVMLSBBSFH-UMVBOHGHSA-N -1 3 377.532 0.906 20 30 GCEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H](O)CC1 ZINC000349529250 530674106 /nfs/dbraw/zinc/67/41/06/530674106.db2.gz VVOATRNBGCOSRM-UONOGXRCSA-N -1 3 395.547 0.411 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCCS(N)(=O)=O)c(C(F)(F)F)c1 ZINC000590162330 530674398 /nfs/dbraw/zinc/67/43/98/530674398.db2.gz REVWPKTVHVTSJP-UHFFFAOYSA-N -1 3 385.389 0.924 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)NC1CC(C)(F)C1 ZINC000349537073 530679445 /nfs/dbraw/zinc/67/94/45/530679445.db2.gz DEMCBGYIGGXABY-UXUKBGGZSA-N -1 3 381.495 0.798 20 30 GCEDHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000349537353 530679875 /nfs/dbraw/zinc/67/98/75/530679875.db2.gz PWOFUTAIQDFNCP-STQMWFEESA-N -1 3 389.503 0.852 20 30 GCEDHM COC(=O)c1ccsc1N1CC[C@H]([N-]S(=O)(=O)N(C)CCC#N)C1=O ZINC000474192038 530715278 /nfs/dbraw/zinc/71/52/78/530715278.db2.gz VCDGADJJZSDULG-NSHDSACASA-N -1 3 386.455 0.320 20 30 GCEDHM CCO[C@H]1C[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-][C@@H](C)C#N)C1 ZINC000578882464 530736138 /nfs/dbraw/zinc/73/61/38/530736138.db2.gz LQDYVEFYCGPTPG-RWMBFGLXSA-N -1 3 387.483 0.723 20 30 GCEDHM C=CCNC(=O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000476528572 530733886 /nfs/dbraw/zinc/73/38/86/530733886.db2.gz AZKQBDYQAWEJAE-UHFFFAOYSA-N -1 3 387.483 0.052 20 30 GCEDHM CC[C@H](O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C#N ZINC000580785065 530750729 /nfs/dbraw/zinc/75/07/29/530750729.db2.gz NGLANBALHCYSOG-NEPJUHHUSA-N -1 3 375.472 0.268 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CC[C@H](F)C1 ZINC000581199164 530755134 /nfs/dbraw/zinc/75/51/34/530755134.db2.gz AYCIVVLAVNKYPY-RYUDHWBXSA-N -1 3 375.447 1.000 20 30 GCEDHM CCOc1cc(C#N)cc(Br)c1OCC(=O)NN1CC(=O)[N-]C1=O ZINC000031282835 530775748 /nfs/dbraw/zinc/77/57/48/530775748.db2.gz ACPFNBWXZNKFRN-UHFFFAOYSA-N -1 3 397.185 0.681 20 30 GCEDHM C[C@H](C[C@@H]1CCCO1)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000582371093 530777105 /nfs/dbraw/zinc/77/71/05/530777105.db2.gz LOGALLAXMXEUMI-OLZOCXBDSA-N -1 3 387.483 0.724 20 30 GCEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)OC ZINC000481578941 530779288 /nfs/dbraw/zinc/77/92/88/530779288.db2.gz FBOQUSXMXUGTFA-JTQLQIEISA-N -1 3 379.232 0.867 20 30 GCEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)OC ZINC000481585915 530779556 /nfs/dbraw/zinc/77/95/56/530779556.db2.gz JHALSRHKURAZRD-LBPRGKRZSA-N -1 3 395.430 0.252 20 30 GCEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)OC)C(=O)OC ZINC000481606530 530780177 /nfs/dbraw/zinc/78/01/77/530780177.db2.gz HDDQXVLUUVMHNH-LLVKDONJSA-N -1 3 375.374 0.635 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCC(=O)NC(N)=O ZINC000553423216 530800332 /nfs/dbraw/zinc/80/03/32/530800332.db2.gz AHDGZHZAQNYCRP-UHFFFAOYSA-N -1 3 375.204 0.184 20 30 GCEDHM N#Cc1cc(F)ccc1CS(=O)(=O)[N-]CCS(=O)(=O)NCC1CCC1 ZINC000296999900 530812948 /nfs/dbraw/zinc/81/29/48/530812948.db2.gz ZXCOPAUXCQOFAE-UHFFFAOYSA-N -1 3 389.474 0.836 20 30 GCEDHM CNS(=O)(=O)CC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416473498 530846904 /nfs/dbraw/zinc/84/69/04/530846904.db2.gz PDBXQUCBBLWHPB-UHFFFAOYSA-N -1 3 382.261 0.148 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)C(C)(C)C1 ZINC000349459882 530874758 /nfs/dbraw/zinc/87/47/58/530874758.db2.gz HYRGROVBIRJJDN-IUODEOHRSA-N -1 3 393.531 0.021 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C[C@H](C)O ZINC000349461846 530875054 /nfs/dbraw/zinc/87/50/54/530875054.db2.gz XJDWJYPRTLFDON-QWHCGFSZSA-N -1 3 389.499 0.514 20 30 GCEDHM CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1(O)CCC1 ZINC000583274239 530867847 /nfs/dbraw/zinc/86/78/47/530867847.db2.gz SDKVGZKLLJXDBG-UHFFFAOYSA-N -1 3 387.483 0.414 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](O)[C@H]1C ZINC000349458030 530873931 /nfs/dbraw/zinc/87/39/31/530873931.db2.gz TUWKXHHYGOCHBN-FRRDWIJNSA-N -1 3 387.483 0.411 20 30 GCEDHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCSC[C@H]1C#N ZINC000493542067 530838377 /nfs/dbraw/zinc/83/83/77/530838377.db2.gz IGCSJQPPCDIMMO-LLVKDONJSA-N -1 3 375.497 0.614 20 30 GCEDHM CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000656374849 530839659 /nfs/dbraw/zinc/83/96/59/530839659.db2.gz MPQRQCRFLBCXOT-UHFFFAOYSA-N -1 3 386.499 0.771 20 30 GCEDHM CC(C)(C#N)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1cncc(F)c1 ZINC000349552343 530903988 /nfs/dbraw/zinc/90/39/88/530903988.db2.gz MSQBDGJVBVMWKL-UHFFFAOYSA-N -1 3 378.451 0.822 20 30 GCEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCC[C@@]23NC(=O)NC3=O)c1 ZINC000274908720 530905515 /nfs/dbraw/zinc/90/55/15/530905515.db2.gz WYMJDNDCOMJBLT-MEBBXXQBSA-N -1 3 382.829 0.868 20 30 GCEDHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000349563493 530907401 /nfs/dbraw/zinc/90/74/01/530907401.db2.gz IKIYSHVXQJMGGB-QWHCGFSZSA-N -1 3 389.503 0.852 20 30 GCEDHM C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)C[C@H]1O ZINC000349597643 530908806 /nfs/dbraw/zinc/90/88/06/530908806.db2.gz DWJJBKDIGLTGQT-NFAWXSAZSA-N -1 3 393.531 0.021 20 30 GCEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000508068207 530910039 /nfs/dbraw/zinc/91/00/39/530910039.db2.gz NEZIWYOFAGQMTO-HNNXBMFYSA-N -1 3 387.483 0.724 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCC[C@H]1O ZINC000349604312 530910113 /nfs/dbraw/zinc/91/01/13/530910113.db2.gz OOXAMMXGIKZWCL-UMVBOHGHSA-N -1 3 393.531 0.211 20 30 GCEDHM CSCC[C@@](C)(C#N)NS(=O)(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C ZINC000508125826 530910233 /nfs/dbraw/zinc/91/02/33/530910233.db2.gz BCDJIAQMYPKRGG-AWEZNQCLSA-N -1 3 383.455 0.348 20 30 GCEDHM C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCCS(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000349604405 530910253 /nfs/dbraw/zinc/91/02/53/530910253.db2.gz DUKRNFKBBPYVGY-UMVBOHGHSA-N -1 3 393.531 0.163 20 30 GCEDHM C[C@@H](CCO)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349479514 530876498 /nfs/dbraw/zinc/87/64/98/530876498.db2.gz JKYPGIGVSZHMGA-LBPRGKRZSA-N -1 3 387.483 0.412 20 30 GCEDHM C[C@H](CCO)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000349478462 530876606 /nfs/dbraw/zinc/87/66/06/530876606.db2.gz GTNZCQMPTOMJNT-NWDGAFQWSA-N -1 3 375.472 0.268 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(C#N)C1 ZINC000349481516 530877739 /nfs/dbraw/zinc/87/77/39/530877739.db2.gz NKTQNSNAAXKTNY-CYBMUJFWSA-N -1 3 382.467 0.657 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000349529465 530880806 /nfs/dbraw/zinc/88/08/06/530880806.db2.gz ZUKWIYFBUBPFRG-MGPQQGTHSA-N -1 3 397.588 1.000 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000349529463 530880820 /nfs/dbraw/zinc/88/08/20/530880820.db2.gz ZUKWIYFBUBPFRG-MCIONIFRSA-N -1 3 397.588 1.000 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H](O)CC1 ZINC000349529778 530881054 /nfs/dbraw/zinc/88/10/54/530881054.db2.gz WRNTUQDBHQVAMQ-UKRRQHHQSA-N -1 3 393.531 0.165 20 30 GCEDHM CN([C@@H]1CCCOC1)S(=O)(=O)CCCS(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000349495115 530881185 /nfs/dbraw/zinc/88/11/85/530881185.db2.gz LXMIUODUBNXBJN-HIFRSBDPSA-N -1 3 393.531 0.429 20 30 GCEDHM N#C[C@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccc2F)C1 ZINC000349503941 530883701 /nfs/dbraw/zinc/88/37/01/530883701.db2.gz SLJJHDOPDONJEQ-CYBMUJFWSA-N -1 3 394.425 0.620 20 30 GCEDHM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000594825935 530884944 /nfs/dbraw/zinc/88/49/44/530884944.db2.gz DUUTZLLOFZUOSB-GHMZBOCLSA-N -1 3 398.384 0.667 20 30 GCEDHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)CC#N)cn1 ZINC000349521820 530888667 /nfs/dbraw/zinc/88/86/67/530888667.db2.gz LYHLPPSCGXRYCC-LLVKDONJSA-N -1 3 375.476 0.481 20 30 GCEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)C1 ZINC000349520631 530888807 /nfs/dbraw/zinc/88/88/07/530888807.db2.gz KEBNNVCTAFTWHL-KFWWJZLASA-N -1 3 393.531 0.165 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000349532575 530890141 /nfs/dbraw/zinc/89/01/41/530890141.db2.gz AZAPYMIKESIINX-CXTNEJHOSA-N -1 3 391.515 0.227 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CC(F)F)C1CC1 ZINC000349473813 530891659 /nfs/dbraw/zinc/89/16/59/530891659.db2.gz SXYAOTNKKZZGOK-UHFFFAOYSA-N -1 3 379.410 0.907 20 30 GCEDHM C[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]C2(C#N)CCCCC2)CO1 ZINC000349577377 530895276 /nfs/dbraw/zinc/89/52/76/530895276.db2.gz QSRNMSSQMLXLME-UONOGXRCSA-N -1 3 393.531 0.619 20 30 GCEDHM CN(CCC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)S(C)(=O)=O ZINC000611015550 530931460 /nfs/dbraw/zinc/93/14/60/530931460.db2.gz PMLKDFSWXBXAFS-UHFFFAOYSA-N -1 3 376.416 0.026 20 30 GCEDHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC(=O)NCC#N ZINC000511058659 530931992 /nfs/dbraw/zinc/93/19/92/530931992.db2.gz SXUBBEXQKNOOBJ-JTQLQIEISA-N -1 3 375.834 0.672 20 30 GCEDHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC(=O)NCC#N ZINC000511058660 530932288 /nfs/dbraw/zinc/93/22/88/530932288.db2.gz SXUBBEXQKNOOBJ-SNVBAGLBSA-N -1 3 375.834 0.672 20 30 GCEDHM CO[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C1(C)C ZINC000584480893 530915846 /nfs/dbraw/zinc/91/58/46/530915846.db2.gz RSRAQAFBZQZVHL-ZIAGYGMSSA-N -1 3 387.483 0.580 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)CO ZINC000521462744 530939527 /nfs/dbraw/zinc/93/95/27/530939527.db2.gz NPERAGARTQVEQK-NWDGAFQWSA-N -1 3 375.472 0.172 20 30 GCEDHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000269827316 530942650 /nfs/dbraw/zinc/94/26/50/530942650.db2.gz OPFRLXXEDCEULM-ZWNOBZJWSA-N -1 3 375.447 0.694 20 30 GCEDHM COCCN(CCC#N)S(=O)(=O)[N-][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000425203900 530943925 /nfs/dbraw/zinc/94/39/25/530943925.db2.gz MMOBARVFEXMLRA-JTQLQIEISA-N -1 3 376.460 0.687 20 30 GCEDHM Cc1cc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)N[C@@H](C)C#N)cc2)on1 ZINC000516980873 530957193 /nfs/dbraw/zinc/95/71/93/530957193.db2.gz FMLMISNQBVLUEY-NSHDSACASA-N -1 3 384.439 0.652 20 30 GCEDHM CC(C)[C@@](C)(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000572016030 530983641 /nfs/dbraw/zinc/98/36/41/530983641.db2.gz PIYAOMCISMTKRW-AWEZNQCLSA-N -1 3 375.472 0.174 20 30 GCEDHM C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000272820929 531007349 /nfs/dbraw/zinc/00/73/49/531007349.db2.gz ITDCUDWWSWYQJC-UHFFFAOYSA-N -1 3 380.513 0.306 20 30 GCEDHM C#CCn1ccc(CN(CC)C(=O)Cn2cc(Br)c(=O)[n-]c2=O)n1 ZINC000279236870 531009903 /nfs/dbraw/zinc/00/99/03/531009903.db2.gz ZOQHJELRLPWLDG-UHFFFAOYSA-N -1 3 394.229 0.590 20 30 GCEDHM N#CCCN(Cc1ccco1)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000162474359 531002604 /nfs/dbraw/zinc/00/26/04/531002604.db2.gz YPSCYOPFPMAVBL-UHFFFAOYSA-N -1 3 381.186 0.835 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C)ccc1F ZINC000266069740 531004034 /nfs/dbraw/zinc/00/40/34/531004034.db2.gz WRBNWLIUBWPGDV-NSHDSACASA-N -1 3 390.458 0.549 20 30 GCEDHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC#N)CC(=O)OC)cc1F ZINC000539848286 531045035 /nfs/dbraw/zinc/04/50/35/531045035.db2.gz RGNXGQYBJRMGNP-UHFFFAOYSA-N -1 3 393.418 0.275 20 30 GCEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC ZINC000540322433 531049058 /nfs/dbraw/zinc/04/90/58/531049058.db2.gz JDTCKLDUVYZJKD-SECBINFHSA-N -1 3 377.440 0.784 20 30 GCEDHM C[C@H]1C[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]C(C)(C)C#N)CO1 ZINC000515313034 531088269 /nfs/dbraw/zinc/08/82/69/531088269.db2.gz YITRHIPECBBSCW-RYUDHWBXSA-N -1 3 387.483 0.723 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000515500384 531090323 /nfs/dbraw/zinc/09/03/23/531090323.db2.gz UFZRTCMIWBHXJV-YNEHKIRRSA-N -1 3 385.467 0.334 20 30 GCEDHM COCCCS(=O)(=O)[N-]CC(=O)Nc1nc(C)c(SCC#N)s1 ZINC000432911769 531126534 /nfs/dbraw/zinc/12/65/34/531126534.db2.gz SZOQVWNUBCIRED-UHFFFAOYSA-N -1 3 378.501 0.962 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCC[C@@H](O)C1 ZINC000572542859 531160577 /nfs/dbraw/zinc/16/05/77/531160577.db2.gz PCXYFDFOVSJWLN-CHWSQXEVSA-N -1 3 387.483 0.318 20 30 GCEDHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC(O)(CC#N)C2)cc1F ZINC000440088488 531168764 /nfs/dbraw/zinc/16/87/64/531168764.db2.gz ADRDBTWRSOHAAV-UHFFFAOYSA-N -1 3 391.446 0.626 20 30 GCEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](O)C1CC1 ZINC000565229672 531181472 /nfs/dbraw/zinc/18/14/72/531181472.db2.gz JSIBPMKLRSVKPY-LBPRGKRZSA-N -1 3 387.483 0.316 20 30 GCEDHM O=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)N[C@H]1CCCN([O-])C1=O ZINC000529427478 531194225 /nfs/dbraw/zinc/19/42/25/531194225.db2.gz KHIVUJVQFYBSRK-NSHDSACASA-N -1 3 379.797 0.254 20 30 GCEDHM C=CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nc(CC)n[nH]2)cc1 ZINC000566486676 531198978 /nfs/dbraw/zinc/19/89/78/531198978.db2.gz LUSNAFHUJJQDNJ-UHFFFAOYSA-N -1 3 385.471 0.974 20 30 GCEDHM Cc1cnc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)N[C@@H](C)C#N)cc2)o1 ZINC000566486663 531199011 /nfs/dbraw/zinc/19/90/11/531199011.db2.gz LNBXXEBUTZITPE-JTQLQIEISA-N -1 3 384.439 0.652 20 30 GCEDHM CC[C@](C)(C#N)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736314080 598867324 /nfs/dbraw/zinc/86/73/24/598867324.db2.gz QQSHEZRGZVAZED-SCLBCKFNSA-N -1 3 396.411 0.880 20 30 GCEDHM CC[C@](C)(C#N)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736314080 598867325 /nfs/dbraw/zinc/86/73/25/598867325.db2.gz QQSHEZRGZVAZED-SCLBCKFNSA-N -1 3 396.411 0.880 20 30 GCEDHM C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1=O ZINC000736215705 598916032 /nfs/dbraw/zinc/91/60/32/598916032.db2.gz ZYTRZTGYFBFUEG-KRWDZBQOSA-N -1 3 380.368 0.397 20 30 GCEDHM C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1=O ZINC000736215705 598916034 /nfs/dbraw/zinc/91/60/34/598916034.db2.gz ZYTRZTGYFBFUEG-KRWDZBQOSA-N -1 3 380.368 0.397 20 30 GCEDHM C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1=O ZINC000736214253 598916040 /nfs/dbraw/zinc/91/60/40/598916040.db2.gz MASRFAYWZYNJCC-KRWDZBQOSA-N -1 3 380.368 0.397 20 30 GCEDHM C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1=O ZINC000736214253 598916042 /nfs/dbraw/zinc/91/60/42/598916042.db2.gz MASRFAYWZYNJCC-KRWDZBQOSA-N -1 3 380.368 0.397 20 30 GCEDHM CN(CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)S(=O)(=O)c1cccnc1 ZINC000736786750 598921020 /nfs/dbraw/zinc/92/10/20/598921020.db2.gz CZCZHPBCZFXJAO-UHFFFAOYSA-N -1 3 398.408 0.393 20 30 GCEDHM CN(CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)S(=O)(=O)c1cccnc1 ZINC000736786750 598921022 /nfs/dbraw/zinc/92/10/22/598921022.db2.gz CZCZHPBCZFXJAO-UHFFFAOYSA-N -1 3 398.408 0.393 20 30 GCEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000735561387 598926507 /nfs/dbraw/zinc/92/65/07/598926507.db2.gz YDYFOLQSYFCMIP-JTQLQIEISA-N -1 3 394.395 0.930 20 30 GCEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000735561387 598926509 /nfs/dbraw/zinc/92/65/09/598926509.db2.gz YDYFOLQSYFCMIP-JTQLQIEISA-N -1 3 394.395 0.930 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000737846264 599056726 /nfs/dbraw/zinc/05/67/26/599056726.db2.gz INICQBPBTGZLPJ-VLGSPTGOSA-N -1 3 398.379 0.705 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000737846264 599056729 /nfs/dbraw/zinc/05/67/29/599056729.db2.gz INICQBPBTGZLPJ-VLGSPTGOSA-N -1 3 398.379 0.705 20 30 GCEDHM N#Cc1ccnc(N2CCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000737727245 599068297 /nfs/dbraw/zinc/06/82/97/599068297.db2.gz HWRZJSQAHMZCHH-KRWDZBQOSA-N -1 3 389.423 0.482 20 30 GCEDHM N#Cc1ccnc(N2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737727245 599068299 /nfs/dbraw/zinc/06/82/99/599068299.db2.gz HWRZJSQAHMZCHH-KRWDZBQOSA-N -1 3 389.423 0.482 20 30 GCEDHM Cn1ccc(N2CCC[C@H](Sc3nc(N)c(-c4nnn[n-]4)cc3C#N)C2=O)n1 ZINC000737611641 599161841 /nfs/dbraw/zinc/16/18/41/599161841.db2.gz FDHCONLAURSMGO-NSHDSACASA-N -1 3 396.440 0.737 20 30 GCEDHM Cn1ccc(N2CCC[C@H](Sc3nc(N)c(-c4nn[n-]n4)cc3C#N)C2=O)n1 ZINC000737611641 599161843 /nfs/dbraw/zinc/16/18/43/599161843.db2.gz FDHCONLAURSMGO-NSHDSACASA-N -1 3 396.440 0.737 20 30 GCEDHM C#CCCCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000819692731 599192021 /nfs/dbraw/zinc/19/20/21/599192021.db2.gz ISSXNDFYXVRJOV-AWEZNQCLSA-N -1 3 381.396 0.601 20 30 GCEDHM C#CCCCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000819692731 599192024 /nfs/dbraw/zinc/19/20/24/599192024.db2.gz ISSXNDFYXVRJOV-AWEZNQCLSA-N -1 3 381.396 0.601 20 30 GCEDHM Cc1c(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cccc1-c1nnn[n-]1 ZINC000822052832 607272328 /nfs/dbraw/zinc/27/23/28/607272328.db2.gz GTPJSJFGRFQUHD-UHFFFAOYSA-N -1 3 394.399 0.040 20 30 GCEDHM Cc1c(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cccc1-c1nn[n-]n1 ZINC000822052832 607272329 /nfs/dbraw/zinc/27/23/29/607272329.db2.gz GTPJSJFGRFQUHD-UHFFFAOYSA-N -1 3 394.399 0.040 20 30 GCEDHM C=CCn1c(=O)c(=Cc2ccc(OC)c(-c3nnn[n-]3)c2)sc1=C(C#N)C#N ZINC000735443133 599250211 /nfs/dbraw/zinc/25/02/11/599250211.db2.gz QVYFLHAGCBZGOW-UHFFFAOYSA-N -1 3 391.416 0.311 20 30 GCEDHM C=CCn1c(=O)c(=Cc2ccc(OC)c(-c3nn[n-]n3)c2)sc1=C(C#N)C#N ZINC000735443133 599250212 /nfs/dbraw/zinc/25/02/12/599250212.db2.gz QVYFLHAGCBZGOW-UHFFFAOYSA-N -1 3 391.416 0.311 20 30 GCEDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCC1CCN(CC#N)CC1 ZINC000737024595 599279985 /nfs/dbraw/zinc/27/99/85/599279985.db2.gz TYKSDVJXMCTQEL-UHFFFAOYSA-N -1 3 385.428 0.606 20 30 GCEDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCC1CCN(CC#N)CC1 ZINC000737024595 599279986 /nfs/dbraw/zinc/27/99/86/599279986.db2.gz TYKSDVJXMCTQEL-UHFFFAOYSA-N -1 3 385.428 0.606 20 30 GCEDHM N#CCCn1ccc(NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)n1 ZINC000822810035 599284503 /nfs/dbraw/zinc/28/45/03/599284503.db2.gz AGKFJGARBXQTTM-UHFFFAOYSA-N -1 3 393.415 0.726 20 30 GCEDHM N#CCCn1ccc(NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)n1 ZINC000822810035 599284505 /nfs/dbraw/zinc/28/45/05/599284505.db2.gz AGKFJGARBXQTTM-UHFFFAOYSA-N -1 3 393.415 0.726 20 30 GCEDHM C[C@@H](C#N)COC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000819856315 607323195 /nfs/dbraw/zinc/32/31/95/607323195.db2.gz HZBVSUXLIMFIOU-GWCFXTLKSA-N -1 3 383.368 0.775 20 30 GCEDHM C[C@@H](C#N)COC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000819856315 607323196 /nfs/dbraw/zinc/32/31/96/607323196.db2.gz HZBVSUXLIMFIOU-GWCFXTLKSA-N -1 3 383.368 0.775 20 30 GCEDHM N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000822842323 607336476 /nfs/dbraw/zinc/33/64/76/607336476.db2.gz BXSOCBFXAKCPLZ-UHFFFAOYSA-N -1 3 395.358 0.439 20 30 GCEDHM N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000822842323 607336477 /nfs/dbraw/zinc/33/64/77/607336477.db2.gz BXSOCBFXAKCPLZ-UHFFFAOYSA-N -1 3 395.358 0.439 20 30 GCEDHM C=CCNC(=O)NC(=O)CN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735431367 598250025 /nfs/dbraw/zinc/25/00/25/598250025.db2.gz CQJXUOGGTMVBOM-UHFFFAOYSA-N -1 3 385.428 0.722 20 30 GCEDHM C=CCNC(=O)NC(=O)CN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735431367 598250027 /nfs/dbraw/zinc/25/00/27/598250027.db2.gz CQJXUOGGTMVBOM-UHFFFAOYSA-N -1 3 385.428 0.722 20 30 GCEDHM N#CCCN(CCC#N)C(=O)CN1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737687840 598251752 /nfs/dbraw/zinc/25/17/52/598251752.db2.gz WEAKBBZWCKXATD-UHFFFAOYSA-N -1 3 393.455 0.645 20 30 GCEDHM N#CCCN(CCC#N)C(=O)CN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737687840 598251753 /nfs/dbraw/zinc/25/17/53/598251753.db2.gz WEAKBBZWCKXATD-UHFFFAOYSA-N -1 3 393.455 0.645 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cn1 ZINC000737723365 598262627 /nfs/dbraw/zinc/26/26/27/598262627.db2.gz TVTDTFSYAMJFEN-UHFFFAOYSA-N -1 3 397.424 0.039 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cn1 ZINC000737723365 598262628 /nfs/dbraw/zinc/26/26/28/598262628.db2.gz TVTDTFSYAMJFEN-UHFFFAOYSA-N -1 3 397.424 0.039 20 30 GCEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)C(=O)NC(=O)NC(C)(C)C ZINC000736192313 598273604 /nfs/dbraw/zinc/27/36/04/598273604.db2.gz LJPOGVGFZJVIDQ-ZETCQYMHSA-N -1 3 389.445 0.820 20 30 GCEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)C(=O)NC(=O)NC(C)(C)C ZINC000736192313 598273605 /nfs/dbraw/zinc/27/36/05/598273605.db2.gz LJPOGVGFZJVIDQ-ZETCQYMHSA-N -1 3 389.445 0.820 20 30 GCEDHM N#Cc1cnn(CCOC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1N ZINC000737728647 598293383 /nfs/dbraw/zinc/29/33/83/598293383.db2.gz SMXNMBGVHJZUAQ-UHFFFAOYSA-N -1 3 384.425 0.994 20 30 GCEDHM N#Cc1cnn(CCOC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1N ZINC000737728647 598293384 /nfs/dbraw/zinc/29/33/84/598293384.db2.gz SMXNMBGVHJZUAQ-UHFFFAOYSA-N -1 3 384.425 0.994 20 30 GCEDHM N#CCN1CCC(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737696378 598422987 /nfs/dbraw/zinc/42/29/87/598422987.db2.gz QQAHTJHFBQBZRR-QGZVFWFLSA-N -1 3 380.456 0.940 20 30 GCEDHM N#C[C@]1(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CCSC1 ZINC000737678664 598437064 /nfs/dbraw/zinc/43/70/64/598437064.db2.gz LIEBBRAZXJDIMJ-MRXNPFEDSA-N -1 3 381.425 0.764 20 30 GCEDHM N#C[C@]1(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CCSC1 ZINC000737678664 598437066 /nfs/dbraw/zinc/43/70/66/598437066.db2.gz LIEBBRAZXJDIMJ-MRXNPFEDSA-N -1 3 381.425 0.764 20 30 GCEDHM C#CCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735381017 598507953 /nfs/dbraw/zinc/50/79/53/598507953.db2.gz KEFQBGBSCKWRAN-UHFFFAOYSA-N -1 3 388.453 0.158 20 30 GCEDHM C#CCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735381017 598507955 /nfs/dbraw/zinc/50/79/55/598507955.db2.gz KEFQBGBSCKWRAN-UHFFFAOYSA-N -1 3 388.453 0.158 20 30 GCEDHM C#CCN(CCC(=O)Nc1sccc1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000735374338 598538404 /nfs/dbraw/zinc/53/84/04/598538404.db2.gz IBSFUDOSFFXNLP-NSHDSACASA-N -1 3 394.482 0.379 20 30 GCEDHM C#CCN(CCC(=O)Nc1sccc1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000735374338 598538405 /nfs/dbraw/zinc/53/84/05/598538405.db2.gz IBSFUDOSFFXNLP-NSHDSACASA-N -1 3 394.482 0.379 20 30 GCEDHM C=CCN(CCC(=O)Nc1sccc1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000735419036 598538566 /nfs/dbraw/zinc/53/85/66/598538566.db2.gz PCSWYEBJLSDXOM-NSHDSACASA-N -1 3 396.498 0.932 20 30 GCEDHM C=CCN(CCC(=O)Nc1sccc1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000735419036 598538568 /nfs/dbraw/zinc/53/85/68/598538568.db2.gz PCSWYEBJLSDXOM-NSHDSACASA-N -1 3 396.498 0.932 20 30 GCEDHM C=CCN(CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000735416190 598538625 /nfs/dbraw/zinc/53/86/25/598538625.db2.gz DVCBXUAHUXIDOF-OAHLLOKOSA-N -1 3 390.469 0.158 20 30 GCEDHM C=CCN(CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000735416190 598538627 /nfs/dbraw/zinc/53/86/27/598538627.db2.gz DVCBXUAHUXIDOF-OAHLLOKOSA-N -1 3 390.469 0.158 20 30 GCEDHM C=CCN(CC(=O)NCc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000735417005 598538750 /nfs/dbraw/zinc/53/87/50/598538750.db2.gz WTTFTBFXDCFVIB-OAHLLOKOSA-N -1 3 390.469 0.158 20 30 GCEDHM C=CCN(CC(=O)NCc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000735417005 598538752 /nfs/dbraw/zinc/53/87/52/598538752.db2.gz WTTFTBFXDCFVIB-OAHLLOKOSA-N -1 3 390.469 0.158 20 30 GCEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCC(=O)NCC(=O)c1ccccc1 ZINC000737705323 598569725 /nfs/dbraw/zinc/56/97/25/598569725.db2.gz NZACGTQWQWGFCK-UHFFFAOYSA-N -1 3 394.420 0.807 20 30 GCEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCC(=O)NCC(=O)c1ccccc1 ZINC000737705323 598569727 /nfs/dbraw/zinc/56/97/27/598569727.db2.gz NZACGTQWQWGFCK-UHFFFAOYSA-N -1 3 394.420 0.807 20 30 GCEDHM CC[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)cn1)NC(=O)c1ccc(C#N)cn1 ZINC000736348542 598688094 /nfs/dbraw/zinc/68/80/94/598688094.db2.gz BVSBHNBSDWQSHC-CYBMUJFWSA-N -1 3 391.395 0.467 20 30 GCEDHM CC[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)cn1)NC(=O)c1ccc(C#N)cn1 ZINC000736348542 598688095 /nfs/dbraw/zinc/68/80/95/598688095.db2.gz BVSBHNBSDWQSHC-CYBMUJFWSA-N -1 3 391.395 0.467 20 30 GCEDHM N#CCCCS(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737685180 598710112 /nfs/dbraw/zinc/71/01/12/598710112.db2.gz ARQKLZKTXUYMHT-UHFFFAOYSA-N -1 3 379.421 0.761 20 30 GCEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000737293588 598730264 /nfs/dbraw/zinc/73/02/64/598730264.db2.gz FVHWVCBWFAFMHK-PEZBUJJGSA-N -1 3 382.384 0.823 20 30 GCEDHM O=C(NCCNC(=O)C1N=CC=CC1=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000738073910 598731144 /nfs/dbraw/zinc/73/11/44/598731144.db2.gz CXYLWBGIDXIDJE-PEZBUJJGSA-N -1 3 382.384 0.192 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCN1C1CC1 ZINC000737686591 598757606 /nfs/dbraw/zinc/75/76/06/598757606.db2.gz ZAHLHCNNSUDRAH-LLVKDONJSA-N -1 3 377.405 0.367 20 30 GCEDHM CN(CCC#N)S(=O)(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736793754 598768283 /nfs/dbraw/zinc/76/82/83/598768283.db2.gz YVYAEODEMNMVDG-UHFFFAOYSA-N -1 3 391.457 0.800 20 30 GCEDHM C#CCN(C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000735374962 598817962 /nfs/dbraw/zinc/81/79/62/598817962.db2.gz PRCFAGHYIPOYFF-QWHCGFSZSA-N -1 3 389.437 0.283 20 30 GCEDHM C#CCN(C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000735374962 598817963 /nfs/dbraw/zinc/81/79/63/598817963.db2.gz PRCFAGHYIPOYFF-QWHCGFSZSA-N -1 3 389.437 0.283 20 30 GCEDHM C#CCCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1-c1nnn[n-]1 ZINC000735375930 598819426 /nfs/dbraw/zinc/81/94/26/598819426.db2.gz UEGICXHXVLUUHO-ZDUSSCGKSA-N -1 3 383.437 0.958 20 30 GCEDHM C#CCCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1-c1nn[n-]n1 ZINC000735375930 598819428 /nfs/dbraw/zinc/81/94/28/598819428.db2.gz UEGICXHXVLUUHO-ZDUSSCGKSA-N -1 3 383.437 0.958 20 30 GCEDHM N#Cc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826384021 607370595 /nfs/dbraw/zinc/37/05/95/607370595.db2.gz CIBZBABVBSLQSU-UHFFFAOYSA-N -1 3 390.359 0.894 20 30 GCEDHM N#Cc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826384021 607370596 /nfs/dbraw/zinc/37/05/96/607370596.db2.gz CIBZBABVBSLQSU-UHFFFAOYSA-N -1 3 390.359 0.894 20 30 GCEDHM N#Cc1ccc(F)c(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822826063 599490635 /nfs/dbraw/zinc/49/06/35/599490635.db2.gz TYZLXHXVAWTVGA-UHFFFAOYSA-N -1 3 379.355 0.924 20 30 GCEDHM N#Cc1ccc(F)c(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822826063 599490639 /nfs/dbraw/zinc/49/06/39/599490639.db2.gz TYZLXHXVAWTVGA-UHFFFAOYSA-N -1 3 379.355 0.924 20 30 GCEDHM Cc1nc(SCC(=O)N2CCN(CC#N)CC2)c(-c2nnn[n-]2)c(C)c1C ZINC000822454035 599650580 /nfs/dbraw/zinc/65/05/80/599650580.db2.gz RHMNPVHBUSFOQY-UHFFFAOYSA-N -1 3 386.485 0.947 20 30 GCEDHM Cc1nc(SCC(=O)N2CCN(CC#N)CC2)c(-c2nn[n-]n2)c(C)c1C ZINC000822454035 599650581 /nfs/dbraw/zinc/65/05/81/599650581.db2.gz RHMNPVHBUSFOQY-UHFFFAOYSA-N -1 3 386.485 0.947 20 30 GCEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000821612426 599696615 /nfs/dbraw/zinc/69/66/15/599696615.db2.gz UXLATIDHBYZZPV-VLGSPTGOSA-N -1 3 381.396 0.742 20 30 GCEDHM Cc1cccc(S(=O)(=O)NCCNc2ncccc2-c2nnn[n-]2)c1C#N ZINC000826303197 607598281 /nfs/dbraw/zinc/59/82/81/607598281.db2.gz DUCBCIAXBUVVFY-UHFFFAOYSA-N -1 3 384.425 0.832 20 30 GCEDHM Cc1cccc(S(=O)(=O)NCCNc2ncccc2-c2nn[n-]n2)c1C#N ZINC000826303197 607598282 /nfs/dbraw/zinc/59/82/82/607598282.db2.gz DUCBCIAXBUVVFY-UHFFFAOYSA-N -1 3 384.425 0.832 20 30 GCEDHM COc1ccc(COC(=O)CCNC(=O)C2N=CC=CC2=O)cc1-c1nnn[n-]1 ZINC000826205370 607608910 /nfs/dbraw/zinc/60/89/10/607608910.db2.gz UEIUCTFBTOEBSW-FBMGVBCBSA-N -1 3 398.379 0.835 20 30 GCEDHM COc1ccc(COC(=O)CCNC(=O)C2N=CC=CC2=O)cc1-c1nn[n-]n1 ZINC000826205370 607608911 /nfs/dbraw/zinc/60/89/11/607608911.db2.gz UEIUCTFBTOEBSW-FBMGVBCBSA-N -1 3 398.379 0.835 20 30 GCEDHM Cc1cccc(S(=O)(=O)NCC2CCN(CC#N)CC2)c1-c1nnn[n-]1 ZINC000826303304 607672604 /nfs/dbraw/zinc/67/26/04/607672604.db2.gz JMAYTLFNWSKWHM-UHFFFAOYSA-N -1 3 375.458 0.689 20 30 GCEDHM Cc1cccc(S(=O)(=O)NCC2CCN(CC#N)CC2)c1-c1nn[n-]n1 ZINC000826303304 607672606 /nfs/dbraw/zinc/67/26/06/607672606.db2.gz JMAYTLFNWSKWHM-UHFFFAOYSA-N -1 3 375.458 0.689 20 30 GCEDHM CC(C)[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824192884 607736506 /nfs/dbraw/zinc/73/65/06/607736506.db2.gz OCAGHZAYVXUWDQ-AWEZNQCLSA-N -1 3 381.400 0.579 20 30 GCEDHM CC(C)[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824192884 607736507 /nfs/dbraw/zinc/73/65/07/607736507.db2.gz OCAGHZAYVXUWDQ-AWEZNQCLSA-N -1 3 381.400 0.579 20 30 GCEDHM CN(CCCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)c1ccc(C#N)[nH]1 ZINC000825918684 607756891 /nfs/dbraw/zinc/75/68/91/607756891.db2.gz JJPANFMFFALRSG-UHFFFAOYSA-N -1 3 381.400 0.677 20 30 GCEDHM CN(CCCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)c1ccc(C#N)[nH]1 ZINC000825918684 607756892 /nfs/dbraw/zinc/75/68/92/607756892.db2.gz JJPANFMFFALRSG-UHFFFAOYSA-N -1 3 381.400 0.677 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000822833286 606030614 /nfs/dbraw/zinc/03/06/14/606030614.db2.gz NPSWRJHWCHFDMP-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000822833286 606030618 /nfs/dbraw/zinc/03/06/18/606030618.db2.gz NPSWRJHWCHFDMP-UHFFFAOYSA-N -1 3 396.436 0.644 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cn1cc(C(=O)OC)nn1 ZINC000819743829 606150464 /nfs/dbraw/zinc/15/04/64/606150464.db2.gz QOSXFYANWNQIJX-UHFFFAOYSA-N -1 3 382.384 0.460 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cn1cc(C(=O)OC)nn1 ZINC000819743829 606150465 /nfs/dbraw/zinc/15/04/65/606150465.db2.gz QOSXFYANWNQIJX-UHFFFAOYSA-N -1 3 382.384 0.460 20 30 GCEDHM Cn1cc(C#N)c(NC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000822665286 606156501 /nfs/dbraw/zinc/15/65/01/606156501.db2.gz MPCUOHDSVQXVNF-UHFFFAOYSA-N -1 3 378.400 0.826 20 30 GCEDHM Cn1cc(C#N)c(NC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000822665286 606156503 /nfs/dbraw/zinc/15/65/03/606156503.db2.gz MPCUOHDSVQXVNF-UHFFFAOYSA-N -1 3 378.400 0.826 20 30 GCEDHM Cn1cc(C#N)c(NC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000822665375 606161921 /nfs/dbraw/zinc/16/19/21/606161921.db2.gz PJYTUYXUTNGNBZ-UHFFFAOYSA-N -1 3 393.415 0.657 20 30 GCEDHM Cn1cc(C#N)c(NC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000822665375 606161923 /nfs/dbraw/zinc/16/19/23/606161923.db2.gz PJYTUYXUTNGNBZ-UHFFFAOYSA-N -1 3 393.415 0.657 20 30 GCEDHM N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822806518 606343592 /nfs/dbraw/zinc/34/35/92/606343592.db2.gz PGESPNUEVLKSSS-MRVPVSSYSA-N -1 3 388.331 0.799 20 30 GCEDHM N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822806518 606343593 /nfs/dbraw/zinc/34/35/93/606343593.db2.gz PGESPNUEVLKSSS-MRVPVSSYSA-N -1 3 388.331 0.799 20 30 GCEDHM O=C(NCCNC(=O)C1N=CC=CC1=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823201872 606351238 /nfs/dbraw/zinc/35/12/38/606351238.db2.gz NMSXZIUYJYROSU-SQFISAMPSA-N -1 3 386.347 0.654 20 30 GCEDHM O=C(NCCNC(=O)C1N=CC=CC1=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823201872 606351239 /nfs/dbraw/zinc/35/12/39/606351239.db2.gz NMSXZIUYJYROSU-SQFISAMPSA-N -1 3 386.347 0.654 20 30 GCEDHM N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CCN1C1CC1 ZINC000822806907 606400054 /nfs/dbraw/zinc/40/00/54/606400054.db2.gz VNCKDZMJOMLPAM-GFCCVEGCSA-N -1 3 384.375 0.143 20 30 GCEDHM N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CCN1C1CC1 ZINC000822806907 606400056 /nfs/dbraw/zinc/40/00/56/606400056.db2.gz VNCKDZMJOMLPAM-GFCCVEGCSA-N -1 3 384.375 0.143 20 30 GCEDHM CS(=O)(=O)N1CCC[C@@H](CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)C1 ZINC000821931698 606637786 /nfs/dbraw/zinc/63/77/86/606637786.db2.gz GIMVFVZFTQBFPD-SECBINFHSA-N -1 3 394.486 0.479 20 30 GCEDHM CS(=O)(=O)N1CCC[C@@H](CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)C1 ZINC000821931698 606637787 /nfs/dbraw/zinc/63/77/87/606637787.db2.gz GIMVFVZFTQBFPD-SECBINFHSA-N -1 3 394.486 0.479 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(-c3nn[n-]n3)c2)CCO1 ZINC000822806379 606639449 /nfs/dbraw/zinc/63/94/49/606639449.db2.gz MCJIKZYCVMIWIS-SNVBAGLBSA-N -1 3 399.230 0.542 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(-c3nnn[n-]3)c2)CCO1 ZINC000822806379 606639448 /nfs/dbraw/zinc/63/94/48/606639448.db2.gz MCJIKZYCVMIWIS-SNVBAGLBSA-N -1 3 399.230 0.542 20 30 GCEDHM C=CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000819740314 606677786 /nfs/dbraw/zinc/67/77/86/606677786.db2.gz XPEGKEXBABPGLZ-SNVBAGLBSA-N -1 3 383.380 0.960 20 30 GCEDHM C=CCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000819740314 606677787 /nfs/dbraw/zinc/67/77/87/606677787.db2.gz XPEGKEXBABPGLZ-SNVBAGLBSA-N -1 3 383.380 0.960 20 30 GCEDHM N#Cc1ccnc(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1[N+](=O)[O-] ZINC000822842617 606702030 /nfs/dbraw/zinc/70/20/30/606702030.db2.gz QKRUKVSMQWRJFB-UHFFFAOYSA-N -1 3 378.356 0.763 20 30 GCEDHM N#Cc1ccnc(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1[N+](=O)[O-] ZINC000822842617 606702031 /nfs/dbraw/zinc/70/20/31/606702031.db2.gz QKRUKVSMQWRJFB-UHFFFAOYSA-N -1 3 378.356 0.763 20 30 GCEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820804782 606822123 /nfs/dbraw/zinc/82/21/23/606822123.db2.gz ZHNSAYTTWBDIJG-LLVKDONJSA-N -1 3 378.400 0.218 20 30 GCEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820804782 606822125 /nfs/dbraw/zinc/82/21/25/606822125.db2.gz ZHNSAYTTWBDIJG-LLVKDONJSA-N -1 3 378.400 0.218 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CCN1C1CC1 ZINC000822806622 606890910 /nfs/dbraw/zinc/89/09/10/606890910.db2.gz QHYJXUJVJZNLLY-LLVKDONJSA-N -1 3 395.395 0.506 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCN1C1CC1 ZINC000822806622 606890913 /nfs/dbraw/zinc/89/09/13/606890913.db2.gz QHYJXUJVJZNLLY-LLVKDONJSA-N -1 3 395.395 0.506 20 30 GCEDHM C[C@H](C#N)CN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819844475 606999991 /nfs/dbraw/zinc/99/99/91/606999991.db2.gz IRHWGGDPYMITML-MNOVXSKESA-N -1 3 377.430 0.152 20 30 GCEDHM C[C@H](C#N)CN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819844475 606999992 /nfs/dbraw/zinc/99/99/92/606999992.db2.gz IRHWGGDPYMITML-MNOVXSKESA-N -1 3 377.430 0.152 20 30 GCEDHM C[C@@H](C#N)CN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819844902 607000401 /nfs/dbraw/zinc/00/04/01/607000401.db2.gz NRIFKAGNUAYGIE-QWRGUYRKSA-N -1 3 377.430 0.152 20 30 GCEDHM C[C@@H](C#N)CN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819844902 607000403 /nfs/dbraw/zinc/00/04/03/607000403.db2.gz NRIFKAGNUAYGIE-QWRGUYRKSA-N -1 3 377.430 0.152 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(CC#N)C1CC1 ZINC000820444238 607001661 /nfs/dbraw/zinc/00/16/61/607001661.db2.gz HXRYKTGXSKQYLY-SNVBAGLBSA-N -1 3 375.414 0.048 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(CC#N)C1CC1 ZINC000820444238 607001662 /nfs/dbraw/zinc/00/16/62/607001662.db2.gz HXRYKTGXSKQYLY-SNVBAGLBSA-N -1 3 375.414 0.048 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1(C#N)CCC1 ZINC000820437609 607009141 /nfs/dbraw/zinc/00/91/41/607009141.db2.gz ALYMJDBUNIFIAE-JTQLQIEISA-N -1 3 375.414 0.096 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(C#N)CCC1 ZINC000820437609 607009142 /nfs/dbraw/zinc/00/91/42/607009142.db2.gz ALYMJDBUNIFIAE-JTQLQIEISA-N -1 3 375.414 0.096 20 30 GCEDHM CC[C@@](C)(C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820848345 607017147 /nfs/dbraw/zinc/01/71/47/607017147.db2.gz VLNIHMQOVMKMGH-BMIGLBTASA-N -1 3 377.430 0.342 20 30 GCEDHM CC[C@@](C)(C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820848345 607017149 /nfs/dbraw/zinc/01/71/49/607017149.db2.gz VLNIHMQOVMKMGH-BMIGLBTASA-N -1 3 377.430 0.342 20 30 GCEDHM CC(C)[C@@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820438595 607024412 /nfs/dbraw/zinc/02/44/12/607024412.db2.gz SQHCIRJHHHYKLB-GXFFZTMASA-N -1 3 377.430 0.198 20 30 GCEDHM CC(C)[C@@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820438595 607024416 /nfs/dbraw/zinc/02/44/16/607024416.db2.gz SQHCIRJHHHYKLB-GXFFZTMASA-N -1 3 377.430 0.198 20 30 GCEDHM C#CCSCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819709550 607042479 /nfs/dbraw/zinc/04/24/79/607042479.db2.gz ITCLILSFNZVVCI-NSHDSACASA-N -1 3 394.482 0.016 20 30 GCEDHM C#CCSCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819709550 607042480 /nfs/dbraw/zinc/04/24/80/607042480.db2.gz ITCLILSFNZVVCI-NSHDSACASA-N -1 3 394.482 0.016 20 30 GCEDHM C=C(C)COCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819722230 607062631 /nfs/dbraw/zinc/06/26/31/607062631.db2.gz DOIUXBYZLRXMPM-LBPRGKRZSA-N -1 3 394.457 0.242 20 30 GCEDHM C=C(C)COCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819722230 607062633 /nfs/dbraw/zinc/06/26/33/607062633.db2.gz DOIUXBYZLRXMPM-LBPRGKRZSA-N -1 3 394.457 0.242 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H](C#N)C1CC1 ZINC000820444286 607090738 /nfs/dbraw/zinc/09/07/38/607090738.db2.gz IFSXYMPYPVKGEI-ZANVPECISA-N -1 3 376.398 0.379 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C#N)C1CC1 ZINC000820444286 607090739 /nfs/dbraw/zinc/09/07/39/607090739.db2.gz IFSXYMPYPVKGEI-ZANVPECISA-N -1 3 376.398 0.379 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H](C#N)C1CC1 ZINC000820444277 607090752 /nfs/dbraw/zinc/09/07/52/607090752.db2.gz IFSXYMPYPVKGEI-NOZJJQNGSA-N -1 3 376.398 0.379 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H](C#N)C1CC1 ZINC000820444277 607090753 /nfs/dbraw/zinc/09/07/53/607090753.db2.gz IFSXYMPYPVKGEI-NOZJJQNGSA-N -1 3 376.398 0.379 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC1(CC#N)CC1 ZINC000820451947 607091393 /nfs/dbraw/zinc/09/13/93/607091393.db2.gz YQBCYKLXNCOJCC-LLVKDONJSA-N -1 3 390.425 0.771 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC1(CC#N)CC1 ZINC000820451947 607091395 /nfs/dbraw/zinc/09/13/95/607091395.db2.gz YQBCYKLXNCOJCC-LLVKDONJSA-N -1 3 390.425 0.771 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC1(C#N)CCC1 ZINC000820451009 607092192 /nfs/dbraw/zinc/09/21/92/607092192.db2.gz QUXNFOBKVPTMEQ-SNVBAGLBSA-N -1 3 376.398 0.523 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC1(C#N)CCC1 ZINC000820451009 607092194 /nfs/dbraw/zinc/09/21/94/607092194.db2.gz QUXNFOBKVPTMEQ-SNVBAGLBSA-N -1 3 376.398 0.523 20 30 GCEDHM CCN(CCC#N)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821207350 607099268 /nfs/dbraw/zinc/09/92/68/607099268.db2.gz LWEDNJWKPIFBBG-NSHDSACASA-N -1 3 377.430 0.296 20 30 GCEDHM CCN(CCC#N)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821207350 607099270 /nfs/dbraw/zinc/09/92/70/607099270.db2.gz LWEDNJWKPIFBBG-NSHDSACASA-N -1 3 377.430 0.296 20 30 GCEDHM CCN(CCC#N)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821207697 607099368 /nfs/dbraw/zinc/09/93/68/607099368.db2.gz RZUNFBWUVWIPGM-LLVKDONJSA-N -1 3 377.430 0.296 20 30 GCEDHM CCN(CCC#N)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821207697 607099370 /nfs/dbraw/zinc/09/93/70/607099370.db2.gz RZUNFBWUVWIPGM-LLVKDONJSA-N -1 3 377.430 0.296 20 30 GCEDHM N#CC1(C(=O)O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCOCC1 ZINC000822800908 607113998 /nfs/dbraw/zinc/11/39/98/607113998.db2.gz AQTLDMXVZATNRQ-CQSZACIVSA-N -1 3 382.380 0.836 20 30 GCEDHM N#CC1(C(=O)O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCOCC1 ZINC000822800908 607113999 /nfs/dbraw/zinc/11/39/99/607113999.db2.gz AQTLDMXVZATNRQ-CQSZACIVSA-N -1 3 382.380 0.836 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000819743633 607144692 /nfs/dbraw/zinc/14/46/92/607144692.db2.gz MXVNFMFKOHGHAH-HUUCEWRRSA-N -1 3 385.428 0.597 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000819743633 607144694 /nfs/dbraw/zinc/14/46/94/607144694.db2.gz MXVNFMFKOHGHAH-HUUCEWRRSA-N -1 3 385.428 0.597 20 30 GCEDHM N#Cc1nc(N)n(Cc2csc(-c3ccc(C(N)=O)cc3)n2)c1-c1nnn[n-]1 ZINC000822846286 607237772 /nfs/dbraw/zinc/23/77/72/607237772.db2.gz ULMGQNAWKHJAOH-UHFFFAOYSA-N -1 3 392.408 0.788 20 30 GCEDHM N#Cc1nc(N)n(Cc2csc(-c3ccc(C(N)=O)cc3)n2)c1-c1nn[n-]n1 ZINC000822846286 607237773 /nfs/dbraw/zinc/23/77/73/607237773.db2.gz ULMGQNAWKHJAOH-UHFFFAOYSA-N -1 3 392.408 0.788 20 30 GCEDHM Cn1ncc2c1nc(NN=Cc1cnc3ccc(-c4nnn[n-]4)cn13)[nH]c2=O ZINC000822709415 607252076 /nfs/dbraw/zinc/25/20/76/607252076.db2.gz LPCKFRNQKCRQRJ-UHFFFAOYSA-N -1 3 376.344 0.343 20 30 GCEDHM Cn1ncc2c1nc(NN=Cc1cnc3ccc(-c4nn[n-]n4)cn13)[nH]c2=O ZINC000822709415 607252077 /nfs/dbraw/zinc/25/20/77/607252077.db2.gz LPCKFRNQKCRQRJ-UHFFFAOYSA-N -1 3 376.344 0.343 20 30 GCEDHM C=CCN(Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000823919693 607924623 /nfs/dbraw/zinc/92/46/23/607924623.db2.gz NGLACGBWOFLDLA-ZDUSSCGKSA-N -1 3 391.453 0.828 20 30 GCEDHM C=CCN(Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000823919693 607924624 /nfs/dbraw/zinc/92/46/24/607924624.db2.gz NGLACGBWOFLDLA-ZDUSSCGKSA-N -1 3 391.453 0.828 20 30 GCEDHM C=CCCOCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823899189 607944517 /nfs/dbraw/zinc/94/45/17/607944517.db2.gz OVIOECZCXSJVEV-LBPRGKRZSA-N -1 3 394.457 0.242 20 30 GCEDHM C=CCCOCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823899189 607944518 /nfs/dbraw/zinc/94/45/18/607944518.db2.gz OVIOECZCXSJVEV-LBPRGKRZSA-N -1 3 394.457 0.242 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000826386278 608056675 /nfs/dbraw/zinc/05/66/75/608056675.db2.gz WZTSVDAZFLVCJU-MRXNPFEDSA-N -1 3 397.420 0.896 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000826386278 608056676 /nfs/dbraw/zinc/05/66/76/608056676.db2.gz WZTSVDAZFLVCJU-MRXNPFEDSA-N -1 3 397.420 0.896 20 30 GCEDHM C#CCCN1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000823844660 608329546 /nfs/dbraw/zinc/32/95/46/608329546.db2.gz FNQDBLSPADPIPS-UHFFFAOYSA-N -1 3 378.433 0.477 20 30 GCEDHM C#CCCN1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000823844660 608329548 /nfs/dbraw/zinc/32/95/48/608329548.db2.gz FNQDBLSPADPIPS-UHFFFAOYSA-N -1 3 378.433 0.477 20 30 GCEDHM C#CCN(C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000823844945 608336654 /nfs/dbraw/zinc/33/66/54/608336654.db2.gz LAILOLVFCSGNPR-WFASDCNBSA-N -1 3 388.453 0.760 20 30 GCEDHM C#CCN(C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000823844945 608336655 /nfs/dbraw/zinc/33/66/55/608336655.db2.gz LAILOLVFCSGNPR-WFASDCNBSA-N -1 3 388.453 0.760 20 30 GCEDHM CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](C)C#N)cc1-c1nnn[n-]1 ZINC000825523842 608359514 /nfs/dbraw/zinc/35/95/14/608359514.db2.gz VWEYHKDJGLMRLF-VIFPVBQESA-N -1 3 386.372 0.649 20 30 GCEDHM CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](C)C#N)cc1-c1nn[n-]n1 ZINC000825523842 608359517 /nfs/dbraw/zinc/35/95/17/608359517.db2.gz VWEYHKDJGLMRLF-VIFPVBQESA-N -1 3 386.372 0.649 20 30 GCEDHM N#C[C@H]1CSCCN1CN1CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826380968 608400076 /nfs/dbraw/zinc/40/00/76/608400076.db2.gz SHDRYAXYMXLZOP-AWEZNQCLSA-N -1 3 398.452 0.529 20 30 GCEDHM N#C[C@H]1CSCCN1CN1CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826380968 608400078 /nfs/dbraw/zinc/40/00/78/608400078.db2.gz SHDRYAXYMXLZOP-AWEZNQCLSA-N -1 3 398.452 0.529 20 30 GCEDHM N#Cc1cc(CN2CCN(Cc3ccnc(-c4nnn[n-]4)c3)C[C@@H](O)C2)ccn1 ZINC000826383758 608803551 /nfs/dbraw/zinc/80/35/51/608803551.db2.gz OXZVFVCYCATEIM-KRWDZBQOSA-N -1 3 391.439 0.207 20 30 GCEDHM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCC(C)(C#N)CC3)CC2)o1 ZINC000826323188 609143922 /nfs/dbraw/zinc/14/39/22/609143922.db2.gz UJMUSBAXYIPZIG-UHFFFAOYSA-N -1 3 399.459 0.437 20 30 GCEDHM N#Cc1nc(N)n(CC(=O)Nc2nc(CN3CCCC3)cs2)c1-c1nnn[n-]1 ZINC000826387719 609177018 /nfs/dbraw/zinc/17/70/18/609177018.db2.gz NBJGHYXXYZFGQW-UHFFFAOYSA-N -1 3 399.444 0.208 20 30 GCEDHM N#Cc1nc(N)n(CC(=O)Nc2nc(CN3CCCC3)cs2)c1-c1nn[n-]n1 ZINC000826387719 609177020 /nfs/dbraw/zinc/17/70/20/609177020.db2.gz NBJGHYXXYZFGQW-UHFFFAOYSA-N -1 3 399.444 0.208 20 30 GCEDHM C=CCNC(=O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823919811 609182878 /nfs/dbraw/zinc/18/28/78/609182878.db2.gz RTWXEXFTZZNSAD-UHFFFAOYSA-N -1 3 390.347 0.466 20 30 GCEDHM C=CCNC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823919678 609182919 /nfs/dbraw/zinc/18/29/19/609182919.db2.gz MSXDGKYELFZHGV-UHFFFAOYSA-N -1 3 390.347 0.466 20 30 GCEDHM C=CCNC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823919678 609182921 /nfs/dbraw/zinc/18/29/21/609182921.db2.gz MSXDGKYELFZHGV-UHFFFAOYSA-N -1 3 390.347 0.466 20 30 GCEDHM N#Cc1ccnc(N2CCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826387931 609190895 /nfs/dbraw/zinc/19/08/95/609190895.db2.gz ZVLDICUYOJJVLI-QGZVFWFLSA-N -1 3 390.407 0.516 20 30 GCEDHM N#Cc1ccnc(N2CCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826387931 609190896 /nfs/dbraw/zinc/19/08/96/609190896.db2.gz ZVLDICUYOJJVLI-QGZVFWFLSA-N -1 3 390.407 0.516 20 30 GCEDHM N#C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000826380976 609206703 /nfs/dbraw/zinc/20/67/03/609206703.db2.gz SLPSJRSMDILNPO-HUUCEWRRSA-N -1 3 396.411 0.296 20 30 GCEDHM N#C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000826380976 609206704 /nfs/dbraw/zinc/20/67/04/609206704.db2.gz SLPSJRSMDILNPO-HUUCEWRRSA-N -1 3 396.411 0.296 20 30 GCEDHM C#Cc1cccc(NC(=O)CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823861437 609207425 /nfs/dbraw/zinc/20/74/25/609207425.db2.gz IQPCEQRYAJZMEK-KRWDZBQOSA-N -1 3 376.376 0.636 20 30 GCEDHM C#Cc1cccc(NC(=O)CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823861437 609207426 /nfs/dbraw/zinc/20/74/26/609207426.db2.gz IQPCEQRYAJZMEK-KRWDZBQOSA-N -1 3 376.376 0.636 20 30 GCEDHM C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000823919519 609252488 /nfs/dbraw/zinc/25/24/88/609252488.db2.gz JWRVVOQJDIUKBD-UHFFFAOYSA-N -1 3 387.400 0.011 20 30 GCEDHM C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000823919519 609252490 /nfs/dbraw/zinc/25/24/90/609252490.db2.gz JWRVVOQJDIUKBD-UHFFFAOYSA-N -1 3 387.400 0.011 20 30 GCEDHM N#Cc1cnn(CCOC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1N ZINC000826387832 609256929 /nfs/dbraw/zinc/25/69/29/609256929.db2.gz TXUYNTOABUIVRR-OAHLLOKOSA-N -1 3 393.411 0.729 20 30 GCEDHM N#CCCCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826381765 609379052 /nfs/dbraw/zinc/37/90/52/609379052.db2.gz YKIIZOJJJBOPSZ-UHFFFAOYSA-N -1 3 375.458 0.867 20 30 GCEDHM N#CCCCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826381765 609379054 /nfs/dbraw/zinc/37/90/54/609379054.db2.gz YKIIZOJJJBOPSZ-UHFFFAOYSA-N -1 3 375.458 0.867 20 30 GCEDHM N#Cc1ccc(N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000826385472 609607337 /nfs/dbraw/zinc/60/73/37/609607337.db2.gz NXZDQZRRCOGVPG-CQSZACIVSA-N -1 3 376.380 0.992 20 30 GCEDHM N#Cc1ccc(N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000826385472 609607338 /nfs/dbraw/zinc/60/73/38/609607338.db2.gz NXZDQZRRCOGVPG-CQSZACIVSA-N -1 3 376.380 0.992 20 30 GCEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824706867 609631167 /nfs/dbraw/zinc/63/11/67/609631167.db2.gz KSIFBUYOVYADQS-KQYVJACZSA-N -1 3 386.412 0.886 20 30 GCEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824706867 609631168 /nfs/dbraw/zinc/63/11/68/609631168.db2.gz KSIFBUYOVYADQS-KQYVJACZSA-N -1 3 386.412 0.886 20 30 GCEDHM CC#CC[C@H](CO)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867454247 638523502 /nfs/dbraw/zinc/52/35/02/638523502.db2.gz AGDQLPUDKZCFOZ-MRVPVSSYSA-N -1 3 383.211 0.077 20 30 GCEDHM C[C@@H](CC(=O)N(C)CCS(C)(=O)=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742631871 640248281 /nfs/dbraw/zinc/24/82/81/640248281.db2.gz UOKJZSSGUIOJFI-NSHDSACASA-N -1 3 387.483 0.007 20 30 GCEDHM C[C@H](CC(=O)NC[C@]1(O)CCSC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000747427500 640311507 /nfs/dbraw/zinc/31/15/07/640311507.db2.gz MSIXIPOKPSZACQ-BDJLRTHQSA-N -1 3 383.495 0.488 20 30 GCEDHM C[C@@H](OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)N(C)CCC#N ZINC000750214194 640358824 /nfs/dbraw/zinc/35/88/24/640358824.db2.gz QPKFJVPHABGCAU-SECBINFHSA-N -1 3 393.874 0.984 20 30 GCEDHM C#CCNC(=O)COC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000750225326 640359762 /nfs/dbraw/zinc/35/97/62/640359762.db2.gz JOPPJWNLSDDJDM-UHFFFAOYSA-N -1 3 395.256 0.082 20 30 GCEDHM C=CCNC(=O)NC(=O)COC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000750216030 640359850 /nfs/dbraw/zinc/35/98/50/640359850.db2.gz ZVLGVGQABWFAFA-UHFFFAOYSA-N -1 3 395.846 0.235 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)S(C)(=O)=O)ccc1F ZINC000754235471 640449794 /nfs/dbraw/zinc/44/97/94/640449794.db2.gz GDCIPJCGFRZKRA-JTQLQIEISA-N -1 3 378.447 0.453 20 30 GCEDHM C#CCN1CCN(C(=O)C[C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)CC1 ZINC000760586572 640575757 /nfs/dbraw/zinc/57/57/57/640575757.db2.gz YNVXUZLUKZMOFO-ZDUSSCGKSA-N -1 3 384.889 0.569 20 30 GCEDHM C[C@H](CC(=O)NC1(C#N)CCOCC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760593896 640576207 /nfs/dbraw/zinc/57/62/07/640576207.db2.gz GEANTCNQHZWXJD-LLVKDONJSA-N -1 3 386.861 0.981 20 30 GCEDHM COC(=O)CN(CC#N)C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760615965 640577139 /nfs/dbraw/zinc/57/71/39/640577139.db2.gz OBVPRQMACBHXQN-JTQLQIEISA-N -1 3 388.833 0.317 20 30 GCEDHM C[C@H](CC(=O)N[C@H](CO)CC(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000760685983 640579426 /nfs/dbraw/zinc/57/94/26/640579426.db2.gz RFRIGHQHZKAPCK-ZJUUUORDSA-N -1 3 375.397 0.636 20 30 GCEDHM C#C[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)[C@H]1CCCO1 ZINC000773058861 640854957 /nfs/dbraw/zinc/85/49/57/640854957.db2.gz VMBIIHITIJELDW-GXTWGEPZSA-N -1 3 376.431 0.656 20 30 GCEDHM C#CCOCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)c(F)c1 ZINC000784453374 641286790 /nfs/dbraw/zinc/28/67/90/641286790.db2.gz DJBCVFRWKJDDJX-UHFFFAOYSA-N -1 3 378.447 0.906 20 30 GCEDHM C#CC[C@@H](COC)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867567868 641357125 /nfs/dbraw/zinc/35/71/25/641357125.db2.gz BGQSSLNMCRHPQT-QMMMGPOBSA-N -1 3 383.211 0.341 20 30 GCEDHM C#CCSCCNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000799374408 641604390 /nfs/dbraw/zinc/60/43/90/641604390.db2.gz YWNKDYBJUWCRGX-UHFFFAOYSA-N -1 3 377.438 0.909 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000799742055 641612002 /nfs/dbraw/zinc/61/20/02/641612002.db2.gz WRWZBSFTRRYMBP-AWEZNQCLSA-N -1 3 387.864 0.971 20 30 GCEDHM C[C@H](CC(=O)NCC1([S@@](C)=O)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000799776884 641615073 /nfs/dbraw/zinc/61/50/73/641615073.db2.gz GYZAWRNGANABCJ-YDGUKXNOSA-N -1 3 383.495 0.531 20 30 GCEDHM Cc1cc(S(=O)(=O)[N-][C@H](CS(=O)(=O)N(C)C)C(F)(F)F)ccc1C#N ZINC000284963653 641888395 /nfs/dbraw/zinc/88/83/95/641888395.db2.gz CKVYPAJEFCGNJZ-GFCCVEGCSA-N -1 3 399.416 0.967 20 30 GCEDHM Cc1cc(S(=O)(=O)[N-][C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)ccc1C#N ZINC000284963657 641888407 /nfs/dbraw/zinc/88/84/07/641888407.db2.gz CKVYPAJEFCGNJZ-LBPRGKRZSA-N -1 3 399.416 0.967 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCCCS(C)(=O)=O)ccc1F ZINC000819608362 641937676 /nfs/dbraw/zinc/93/76/76/641937676.db2.gz RHIIEKPIBLKJOC-UHFFFAOYSA-N -1 3 392.474 0.845 20 30 GCEDHM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000820471112 641960809 /nfs/dbraw/zinc/96/08/09/641960809.db2.gz NJMXVEVHPGKKOK-JOYOIKCWSA-N -1 3 375.834 0.503 20 30 GCEDHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867056949 642101904 /nfs/dbraw/zinc/10/19/04/642101904.db2.gz BDKGTWUNEWPLMW-QMMMGPOBSA-N -1 3 385.227 0.488 20 30 GCEDHM CO[C@@H](C)c1nsc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000800989505 642107218 /nfs/dbraw/zinc/10/72/18/642107218.db2.gz FIFGYFSDXQLENT-QMMMGPOBSA-N -1 3 381.439 0.923 20 30 GCEDHM CO[C@H](C)c1nsc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000800989504 642107299 /nfs/dbraw/zinc/10/72/99/642107299.db2.gz FIFGYFSDXQLENT-MRVPVSSYSA-N -1 3 381.439 0.923 20 30 GCEDHM C[C@H](CC(=O)N1C[C@@H](C)CS1(=O)=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000835573379 642232677 /nfs/dbraw/zinc/23/26/77/642232677.db2.gz MYGGEELFVCGIOS-GHMZBOCLSA-N -1 3 385.467 0.312 20 30 GCEDHM C#CCN(CC)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc2c(n1)CCC2 ZINC000848959251 642575955 /nfs/dbraw/zinc/57/59/55/642575955.db2.gz CPXYANRTWKICIN-UHFFFAOYSA-N -1 3 385.511 0.987 20 30 GCEDHM C#CCN(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1cc2c(cn1)CCC2 ZINC000848968619 642612167 /nfs/dbraw/zinc/61/21/67/642612167.db2.gz AJMNZGYBDBNRSL-UHFFFAOYSA-N -1 3 385.511 0.987 20 30 GCEDHM C#CCNC(=O)CN1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000859180449 642985798 /nfs/dbraw/zinc/98/57/98/642985798.db2.gz XJTVPWOOCCJVQG-UHFFFAOYSA-N -1 3 380.242 0.662 20 30 GCEDHM CN1C(=O)CN([N-]C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)C1=O ZINC000785303932 1192197153 /nfs/dbraw/zinc/19/71/53/1192197153.db2.gz ALRXGNFANCAJCA-UHFFFAOYSA-N -1 3 394.347 0.609 20 30 GCEDHM C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H](O)C1 ZINC000969887834 1184456425 /nfs/dbraw/zinc/45/64/25/1184456425.db2.gz RZVGCYUYZUQADT-FQLMCAECSA-N -1 3 390.440 0.163 20 30 GCEDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C(=O)N1c1cnn(C)c1 ZINC000610269807 1184714064 /nfs/dbraw/zinc/71/40/64/1184714064.db2.gz KZNHUXSRMSSYCB-IINYFYTJSA-N -1 3 377.401 0.903 20 30 GCEDHM O=C(Nc1ccc(C(=O)N2CCOCC2)c(F)c1)N[C@@H]1CCCN([O-])C1=O ZINC001670574610 1185183001 /nfs/dbraw/zinc/18/30/01/1185183001.db2.gz ZHJWNRKJNQMBTE-CQSZACIVSA-N -1 3 380.376 0.800 20 30 GCEDHM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000160852026 1185595800 /nfs/dbraw/zinc/59/58/00/1185595800.db2.gz SLAVVJBXOAKQJW-GFCCVEGCSA-N -1 3 375.392 0.936 20 30 GCEDHM Cn1ccnc1[C@](O)(CC[N-]S(=O)(=O)c1cccnc1C#N)C(F)(F)F ZINC000277098631 1186239162 /nfs/dbraw/zinc/23/91/62/1186239162.db2.gz WLUJXVVXYNBUMP-CYBMUJFWSA-N -1 3 389.359 0.805 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C(=O)OC)C2)ccc1F ZINC000728540074 1186756437 /nfs/dbraw/zinc/75/64/37/1186756437.db2.gz NWXFTQJNVBAZGM-CYBMUJFWSA-N -1 3 386.401 0.304 20 30 GCEDHM N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C2=O)cc1 ZINC000365173804 1187495298 /nfs/dbraw/zinc/49/52/98/1187495298.db2.gz AIYWDQLKIJUDAC-QGZVFWFLSA-N -1 3 388.383 0.973 20 30 GCEDHM Cc1cc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)NC3(C#N)CC3)cc2)on1 ZINC000580329087 1189567536 /nfs/dbraw/zinc/56/75/36/1189567536.db2.gz KPEPYCWITBUWRL-UHFFFAOYSA-N -1 3 396.450 0.796 20 30 GCEDHM C[C@@H](CC(=O)N[C@H](C(N)=O)C(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000759827590 1189766129 /nfs/dbraw/zinc/76/61/29/1189766129.db2.gz JTPMTOZQEGDPLX-IINYFYTJSA-N -1 3 380.470 0.520 20 30 GCEDHM CCCNC(=O)CN(C)C(=O)COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000017224672 1194761302 /nfs/dbraw/zinc/76/13/02/1194761302.db2.gz YVHHNHBKLZPYRQ-UHFFFAOYSA-N -1 3 390.440 0.324 20 30 GCEDHM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)c3ccc(C#N)cc3F)C2=O)n(C)n1 ZINC000514833982 1194919016 /nfs/dbraw/zinc/91/90/16/1194919016.db2.gz PZFSYJZOAJEDJR-ZDUSSCGKSA-N -1 3 377.401 0.823 20 30 GCEDHM C[C@H](C#N)CN(C)S(=O)(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436496954 1195011613 /nfs/dbraw/zinc/01/16/13/1195011613.db2.gz RILRVBZIQXJKQW-CYBMUJFWSA-N -1 3 380.470 0.923 20 30 GCEDHM N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)nc1 ZINC000436702638 1195027546 /nfs/dbraw/zinc/02/75/46/1195027546.db2.gz DJCDXHKAISNRJQ-UHFFFAOYSA-N -1 3 379.376 0.582 20 30 GCEDHM N#Cc1ccnc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000440671662 1195572642 /nfs/dbraw/zinc/57/26/42/1195572642.db2.gz HMGOBCJNFBUIPP-UHFFFAOYSA-N -1 3 383.336 1.530 20 30 GCEDHM CCO[C@@H]1COCC[C@@H]1NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000760047261 1195829322 /nfs/dbraw/zinc/82/93/22/1195829322.db2.gz RJGZXQDIHZOKLR-AEGPPILISA-N -1 3 395.481 0.814 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC000984141553 1195988540 /nfs/dbraw/zinc/98/85/40/1195988540.db2.gz XMOZIYWJXVNPQC-PRKYJLDLSA-N -1 3 388.424 0.042 20 30 GCEDHM C[C@H](C#N)CN(C)S(=O)(=O)[N-][C@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000281792451 1196332202 /nfs/dbraw/zinc/33/22/02/1196332202.db2.gz OPELTWOPOHFHRA-NXEZZACHSA-N -1 3 382.450 0.868 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(CCn2cncn2)CC1 ZINC000525340918 1196674244 /nfs/dbraw/zinc/67/42/44/1196674244.db2.gz QHMBUDJFCYZZGB-UHFFFAOYSA-N -1 3 383.456 0.644 20 30 GCEDHM Cc1nn(C)c(N2CCN(C(=O)CCc3c(C)nc(C)[n-]c3=O)CC2)c1C#N ZINC000530363581 1196982198 /nfs/dbraw/zinc/98/21/98/1196982198.db2.gz LJVMYDSAFQUTEZ-UHFFFAOYSA-N -1 3 383.456 0.994 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CO)c2cnn(C)c2)ccc1F ZINC000272289265 1197561123 /nfs/dbraw/zinc/56/11/23/1197561123.db2.gz FIIOXQSFQHHZKR-CQSZACIVSA-N -1 3 382.417 0.487 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]2C(=O)NC)ccc1F ZINC000765834427 1198992854 /nfs/dbraw/zinc/99/28/54/1198992854.db2.gz LLNMRUKVTXFABM-JSGCOSHPSA-N -1 3 383.445 0.935 20 30 GCEDHM C#CCSCCNC(=O)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000265748604 1199116577 /nfs/dbraw/zinc/11/65/77/1199116577.db2.gz DVFQORDGBXJRRZ-UHFFFAOYSA-N -1 3 399.494 0.878 20 30 GCEDHM C#CCN1CCC[C@@H](NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)C1 ZINC000923589785 1201170212 /nfs/dbraw/zinc/17/02/12/1201170212.db2.gz UOXJITSBMFQZPY-MRXNPFEDSA-N -1 3 387.484 0.474 20 30 GCEDHM NC(=O)CC[C@H]1CCCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000727108816 1201333769 /nfs/dbraw/zinc/33/37/69/1201333769.db2.gz AQJHSQNVOGWLBK-GFCCVEGCSA-N -1 3 378.454 0.229 20 30 GCEDHM CNC(=O)c1ccc(COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000731369949 1201482491 /nfs/dbraw/zinc/48/24/91/1201482491.db2.gz AWNHOWCNNWJZGY-UHFFFAOYSA-N -1 3 387.417 0.828 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC(N3CCOCC3)C2)ccc1F ZINC000820486053 1201513076 /nfs/dbraw/zinc/51/30/76/1201513076.db2.gz WBRCFTIGUUNUMP-UHFFFAOYSA-N -1 3 383.445 0.447 20 30 GCEDHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000734566024 1201655099 /nfs/dbraw/zinc/65/50/99/1201655099.db2.gz JKFGKNYVOGOPBA-CQSZACIVSA-N -1 3 392.393 0.211 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)Nc1ccc2c(c1)C(=O)NCC2 ZINC000735264921 1201684864 /nfs/dbraw/zinc/68/48/64/1201684864.db2.gz RDONYDTXRHKHGT-UHFFFAOYSA-N -1 3 384.417 0.650 20 30 GCEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCNC(N)=O ZINC000735813177 1201701533 /nfs/dbraw/zinc/70/15/33/1201701533.db2.gz RJUHFNJGGDVYCC-LBPRGKRZSA-N -1 3 381.458 0.068 20 30 GCEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCNC(N)=O ZINC000735813176 1201701678 /nfs/dbraw/zinc/70/16/78/1201701678.db2.gz RJUHFNJGGDVYCC-GFCCVEGCSA-N -1 3 381.458 0.068 20 30 GCEDHM C[C@@H](CNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)CC1(C)OCCO1 ZINC000740733436 1201748673 /nfs/dbraw/zinc/74/86/73/1201748673.db2.gz KDJRQEWUXOIFRV-GFCCVEGCSA-N -1 3 381.454 0.631 20 30 GCEDHM C[C@H](CNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)CC1(C)OCCO1 ZINC000740733437 1201748841 /nfs/dbraw/zinc/74/88/41/1201748841.db2.gz KDJRQEWUXOIFRV-LBPRGKRZSA-N -1 3 381.454 0.631 20 30 GCEDHM COC(=O)C1CCN(C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000742474362 1201797922 /nfs/dbraw/zinc/79/79/22/1201797922.db2.gz WQEIZUJXOWTIIK-GFCCVEGCSA-N -1 3 393.465 0.915 20 30 GCEDHM C[C@H](CC(=O)N[C@]1(C)CCS(=O)(=O)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742509168 1201798711 /nfs/dbraw/zinc/79/87/11/1201798711.db2.gz FHKYZWKQUWPGCQ-BDJLRTHQSA-N -1 3 399.494 0.197 20 30 GCEDHM C[C@H](CC(=O)N[C@H]1CCCCNC1=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742533824 1201799502 /nfs/dbraw/zinc/79/95/02/1201799502.db2.gz TYNIEWSYFMCGEF-YPMHNXCESA-N -1 3 378.454 0.289 20 30 GCEDHM C[C@@H](CC(=O)N(C)Cc1cnn(C)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742531889 1201799823 /nfs/dbraw/zinc/79/98/23/1201799823.db2.gz DXVCZSRPWYRPIQ-LBPRGKRZSA-N -1 3 375.454 0.896 20 30 GCEDHM C[C@@H](CC(=O)NC1(C(N)=O)CCCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742565312 1201800232 /nfs/dbraw/zinc/80/02/32/1201800232.db2.gz CGALZQHBRVMQPZ-LBPRGKRZSA-N -1 3 392.481 0.808 20 30 GCEDHM C[C@H](CC(=O)N[C@@H](C)CN1CCCC1=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742564697 1201800238 /nfs/dbraw/zinc/80/02/38/1201800238.db2.gz YSZSWNDRSQJXGG-OLZOCXBDSA-N -1 3 392.481 0.631 20 30 GCEDHM CC[C@H](C)NC(=O)CCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742555164 1201800709 /nfs/dbraw/zinc/80/07/09/1201800709.db2.gz UYUMTNCFIYQRLU-STQMWFEESA-N -1 3 394.497 0.925 20 30 GCEDHM CCCN(CC(=O)NC)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742570392 1201800731 /nfs/dbraw/zinc/80/07/31/1201800731.db2.gz YECLOMILTOFJOX-GFCCVEGCSA-N -1 3 380.470 0.488 20 30 GCEDHM C[C@H](CC(=O)NCCNc1cnccn1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742581817 1201801730 /nfs/dbraw/zinc/80/17/30/1201801730.db2.gz VNFFXKLYFNXCIW-GFCCVEGCSA-N -1 3 388.453 0.522 20 30 GCEDHM CCC(CC)(NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C(N)=O ZINC000742605112 1201802539 /nfs/dbraw/zinc/80/25/39/1201802539.db2.gz YDGNSXFWQLWVTM-LLVKDONJSA-N -1 3 380.470 0.664 20 30 GCEDHM C[C@H](CC(=O)NCC(=O)OCC1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742616323 1201802906 /nfs/dbraw/zinc/80/29/06/1201802906.db2.gz QITLSYQUTQLIGL-LLVKDONJSA-N -1 3 379.438 0.573 20 30 GCEDHM Cc1nnc(CNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1C ZINC000742640995 1201804072 /nfs/dbraw/zinc/80/40/72/1201804072.db2.gz XKHRNIONFWDVIF-SNVBAGLBSA-N -1 3 376.442 0.257 20 30 GCEDHM COCCN1CCN(C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000742669637 1201804808 /nfs/dbraw/zinc/80/48/08/1201804808.db2.gz MLSCCJMSZIEUQU-CQSZACIVSA-N -1 3 394.497 0.294 20 30 GCEDHM COCCOC[C@H](C)NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742707020 1201805418 /nfs/dbraw/zinc/80/54/18/1201805418.db2.gz NJARLLMROTXGRH-OLZOCXBDSA-N -1 3 383.470 0.671 20 30 GCEDHM COC[C@@H](C)NC(=O)NC(=O)COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000742734152 1201806492 /nfs/dbraw/zinc/80/64/92/1201806492.db2.gz NDLIBWOKXFXQJA-SNVBAGLBSA-N -1 3 392.412 0.612 20 30 GCEDHM C[C@H](CC(=O)NC[C@@H](O)c1cnn(C)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743650919 1201821604 /nfs/dbraw/zinc/82/16/04/1201821604.db2.gz YRACVBOMMWNLFX-BXUZGUMPSA-N -1 3 391.453 0.087 20 30 GCEDHM CCNC(=O)NCCCOC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744108506 1201834732 /nfs/dbraw/zinc/83/47/32/1201834732.db2.gz UKYDNKVGTBCOEV-LBPRGKRZSA-N -1 3 396.469 0.756 20 30 GCEDHM C[C@@H](CC(=O)OCCN1CCNC1=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000744096399 1201835255 /nfs/dbraw/zinc/83/52/55/1201835255.db2.gz ASDNMGJBBNZQJF-NSHDSACASA-N -1 3 380.426 0.072 20 30 GCEDHM CC[C@H](C)NC(=O)COC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745498334 1201879592 /nfs/dbraw/zinc/87/95/92/1201879592.db2.gz WGNRNOKDHMOGKK-NWDGAFQWSA-N -1 3 381.454 0.962 20 30 GCEDHM C[C@@H](CC(=O)OCC(=O)NCC1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745495859 1201879829 /nfs/dbraw/zinc/87/98/29/1201879829.db2.gz KAFMCKIGHZWGLN-NSHDSACASA-N -1 3 379.438 0.573 20 30 GCEDHM C[C@H](CC(=O)O[C@H](C)C(=O)NC1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745498245 1201879910 /nfs/dbraw/zinc/87/99/10/1201879910.db2.gz ZTBWUPQDGVLYKU-GHMZBOCLSA-N -1 3 379.438 0.714 20 30 GCEDHM Cc1nnc(COC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1C ZINC000745497510 1201880332 /nfs/dbraw/zinc/88/03/32/1201880332.db2.gz VCKDMXXDMQAJDX-JTQLQIEISA-N -1 3 377.426 0.684 20 30 GCEDHM CCNC(=O)C(C)(C)CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000746281245 1201904875 /nfs/dbraw/zinc/90/48/75/1201904875.db2.gz JABMDDUHMIJYSG-LBPRGKRZSA-N -1 3 394.497 0.782 20 30 GCEDHM C[C@H](CC(=O)NC[C@@H]1CCCS1(=O)=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000766350151 1201917514 /nfs/dbraw/zinc/91/75/14/1201917514.db2.gz NCNJASVUFQAVKC-NEPJUHHUSA-N -1 3 399.494 0.197 20 30 GCEDHM C=C[C@@H]1C[C@]1(N[C@H]1CC[C@@H](C(=O)OCC)OC1)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001169339212 1201943253 /nfs/dbraw/zinc/94/32/53/1201943253.db2.gz AVWKZDIBQAZXRS-CXUUEIJPSA-N -1 3 386.470 0.240 20 30 GCEDHM COC(=O)[C@H](COC(C)C)N(C)C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000766811032 1201956299 /nfs/dbraw/zinc/95/62/99/1201956299.db2.gz ZULPOAMCTYNBFZ-ZDUSSCGKSA-N -1 3 397.453 0.150 20 30 GCEDHM NS(=O)(=O)c1cccc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000766864068 1201958480 /nfs/dbraw/zinc/95/84/80/1201958480.db2.gz NHSMFZMCDOHDKF-UHFFFAOYSA-N -1 3 394.434 0.011 20 30 GCEDHM COc1cc(C=NNC(=S)NCCN2CCOCC2)c([N+](=O)[O-])cc1[O-] ZINC000767083719 1201965839 /nfs/dbraw/zinc/96/58/39/1201965839.db2.gz PBMCXSGAQQUPJC-UHFFFAOYSA-N -1 3 383.430 0.439 20 30 GCEDHM CCOCCS(=O)(=O)[N-]CC(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000767375632 1201971119 /nfs/dbraw/zinc/97/11/19/1201971119.db2.gz HWGCCFSRNXXTTI-HNNXBMFYSA-N -1 3 395.437 0.163 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)Nc1cccc(-n2ccnn2)c1 ZINC000768385475 1202014658 /nfs/dbraw/zinc/01/46/58/1202014658.db2.gz DUTWACMCGZGUKQ-UHFFFAOYSA-N -1 3 382.405 0.945 20 30 GCEDHM C[C@H](CC(=O)NC[C@H]1COC(C)(C)O1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000769222148 1202051254 /nfs/dbraw/zinc/05/12/54/1202051254.db2.gz WYKJYUDDOTYXCN-NEPJUHHUSA-N -1 3 381.454 0.771 20 30 GCEDHM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1=O ZINC000769846581 1202076585 /nfs/dbraw/zinc/07/65/85/1202076585.db2.gz PSVAKFPDYRPETM-INIZCTEOSA-N -1 3 393.425 0.244 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)ccc1F ZINC000770234732 1202089774 /nfs/dbraw/zinc/08/97/74/1202089774.db2.gz JXJUDQZTXFIOJS-SWLSCSKDSA-N -1 3 385.461 0.739 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@H](C)OC1=O ZINC000771183772 1202129104 /nfs/dbraw/zinc/12/91/04/1202129104.db2.gz HLNRDCNMJDYYDA-FPMFFAJLSA-N -1 3 393.465 0.960 20 30 GCEDHM C[C@H](CC(=O)N(C)CCc1cnccn1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000771289608 1202131495 /nfs/dbraw/zinc/13/14/95/1202131495.db2.gz BWZHCRZEGDTUEP-CYBMUJFWSA-N -1 3 387.465 0.995 20 30 GCEDHM C[C@@H](OC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC1(C#N)CCC1 ZINC000787580201 1205394225 /nfs/dbraw/zinc/39/42/25/1205394225.db2.gz SCZJIBPCGOAIFP-LLVKDONJSA-N -1 3 390.421 0.219 20 30 GCEDHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)ccc1F ZINC000787734107 1205401563 /nfs/dbraw/zinc/40/15/63/1205401563.db2.gz OZGPOALWVQMOIP-SNVBAGLBSA-N -1 3 383.401 0.842 20 30 GCEDHM C[C@H](CC(=O)NC[C@]1(O)CCO[C@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000790256214 1205460072 /nfs/dbraw/zinc/46/00/72/1205460072.db2.gz YRTFFKWYZHSGEI-BWACUDIHSA-N -1 3 381.454 0.160 20 30 GCEDHM C[C@H](CC(=O)N1CC(=O)N(CC2CC2)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000790267960 1205461100 /nfs/dbraw/zinc/46/11/00/1205461100.db2.gz WCHPNJNHPHLNGR-GFCCVEGCSA-N -1 3 390.465 0.542 20 30 GCEDHM COC(=O)Cc1cccc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000791041881 1205473232 /nfs/dbraw/zinc/47/32/32/1205473232.db2.gz UAHLKEVKZKZDGA-UHFFFAOYSA-N -1 3 388.405 0.474 20 30 GCEDHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(C(=O)NO)cc2)ccc1F ZINC000791271951 1205475493 /nfs/dbraw/zinc/47/54/93/1205475493.db2.gz CLXBCEHLUIRXPY-UHFFFAOYSA-N -1 3 381.385 0.783 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2nnc3n2CCOC3)ccc1F ZINC000791695323 1205479966 /nfs/dbraw/zinc/47/99/66/1205479966.db2.gz BUUOGRVDBYXQGK-UHFFFAOYSA-N -1 3 395.416 0.342 20 30 GCEDHM C[C@H](CC(=O)N1CC([C@@H]2CCOC2)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000792608562 1205490557 /nfs/dbraw/zinc/49/05/57/1205490557.db2.gz QJBRFRMCPZZQME-CHWSQXEVSA-N -1 3 377.466 0.999 20 30 GCEDHM C[C@H](CC(=O)N1CCC(OCCO)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000772832756 1205498817 /nfs/dbraw/zinc/49/88/17/1205498817.db2.gz JEEXGKJUADNNPN-CYBMUJFWSA-N -1 3 395.481 0.504 20 30 GCEDHM C[C@H](CC(=O)N1CCOCC(F)(F)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000808451991 1205607230 /nfs/dbraw/zinc/60/72/30/1205607230.db2.gz SUPYQKBHGFCWNE-LLVKDONJSA-N -1 3 387.408 0.998 20 30 GCEDHM CC(=O)C(=O)COC(=O)[C@@H](CC(C)C)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000808485624 1205607583 /nfs/dbraw/zinc/60/75/83/1205607583.db2.gz WDSMWKAQRIKJPC-CYBMUJFWSA-N -1 3 380.422 0.841 20 30 GCEDHM CC(C)[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000811186239 1205648870 /nfs/dbraw/zinc/64/88/70/1205648870.db2.gz HTWAKXQJIWDGMZ-ZFWWWQNUSA-N -1 3 380.422 0.749 20 30 GCEDHM C#CCNS(=O)(=O)c1ccc(C(=O)[N-]N2C(=O)c3ccccc3C2=O)cc1 ZINC000811917543 1205659385 /nfs/dbraw/zinc/65/93/85/1205659385.db2.gz HGSUADOKGAJCSN-UHFFFAOYSA-N -1 3 383.385 0.539 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NCc1nc2c(s1)CCC2 ZINC001133504938 1205670183 /nfs/dbraw/zinc/67/01/83/1205670183.db2.gz QTNLNAIVMXIKLF-UHFFFAOYSA-N -1 3 376.463 0.987 20 30 GCEDHM C#CCN(C)c1cnc(-c2noc(C[N-]S(=O)(=O)CCOCC)n2)cn1 ZINC000813342247 1205675147 /nfs/dbraw/zinc/67/51/47/1205675147.db2.gz HHHFNNAWOCEERV-UHFFFAOYSA-N -1 3 380.430 0.052 20 30 GCEDHM C[C@H](CC(=O)OCC[C@@H]1CCNC1=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000813916276 1205681408 /nfs/dbraw/zinc/68/14/08/1205681408.db2.gz PRHNKXIRRXCNQB-NEPJUHHUSA-N -1 3 379.438 0.573 20 30 GCEDHM COC(=O)C[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C(C)(C)C ZINC001134343672 1205691172 /nfs/dbraw/zinc/69/11/72/1205691172.db2.gz MSICPJCMENQDPJ-ZDUSSCGKSA-N -1 3 381.454 0.819 20 30 GCEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000747992840 1205698408 /nfs/dbraw/zinc/69/84/08/1205698408.db2.gz YPMUNZSAINSNHL-CLEYPRHESA-N -1 3 397.522 0.921 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC001171680867 1205709134 /nfs/dbraw/zinc/70/91/34/1205709134.db2.gz QDFXRNNIQGMZGY-ZNMIVQPWSA-N -1 3 395.481 0.094 20 30 GCEDHM COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c3ccccc31)C2 ZINC001171802111 1205709962 /nfs/dbraw/zinc/70/99/62/1205709962.db2.gz NPFWZTVMODIPNU-RLFDGXBXSA-N -1 3 377.422 0.183 20 30 GCEDHM COC(=O)c1cccc(COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000773363269 1205718894 /nfs/dbraw/zinc/71/88/94/1205718894.db2.gz RDXRDHLBSFTTGI-UHFFFAOYSA-N -1 3 389.389 0.650 20 30 GCEDHM N#C[C@@]12CN(C(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)C[C@H]1CS(=O)(=O)C2 ZINC001178757514 1205794026 /nfs/dbraw/zinc/79/40/26/1205794026.db2.gz SNNHPGQAOIQZID-XYZCENFISA-N -1 3 393.371 0.817 20 30 GCEDHM C#CC1(O)CN(C(=O)[C@@H](CCCC)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC001179983090 1205816058 /nfs/dbraw/zinc/81/60/58/1205816058.db2.gz YVBRFTGCPWAVAP-CQSZACIVSA-N -1 3 375.450 0.490 20 30 GCEDHM [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)[C@@H]1CCCN1CC1CC1 ZINC001182560167 1205876608 /nfs/dbraw/zinc/87/66/08/1205876608.db2.gz CYZIJMMTOGNJIB-STQMWFEESA-N -1 3 381.435 0.403 20 30 GCEDHM NC(=O)[C@@H]1CC[C@H](CCC(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)O1 ZINC001184283434 1205907746 /nfs/dbraw/zinc/90/77/46/1205907746.db2.gz JTIUQJFQJRNUCU-DOMZBBRYSA-N -1 3 389.408 0.704 20 30 GCEDHM CO[C@@]1(C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)CCS(=O)(=O)C1 ZINC001184284046 1205907829 /nfs/dbraw/zinc/90/78/29/1205907829.db2.gz XGHLUGUUCOMYCO-KRWDZBQOSA-N -1 3 396.421 0.094 20 30 GCEDHM C=CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185591875 1205925360 /nfs/dbraw/zinc/92/53/60/1205925360.db2.gz FZJVEKVMGAYVJB-UHFFFAOYSA-N -1 3 378.414 0.496 20 30 GCEDHM C=CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185591875 1205925361 /nfs/dbraw/zinc/92/53/61/1205925361.db2.gz FZJVEKVMGAYVJB-UHFFFAOYSA-N -1 3 378.414 0.496 20 30 GCEDHM COc1ccc(C(=NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)NO)nc1 ZINC001185623242 1205927145 /nfs/dbraw/zinc/92/71/45/1205927145.db2.gz BVPIJYRPSDLRRQ-UHFFFAOYSA-N -1 3 375.370 0.385 20 30 GCEDHM COc1ccc(C(=NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)NO)nc1 ZINC001185623242 1205927146 /nfs/dbraw/zinc/92/71/46/1205927146.db2.gz BVPIJYRPSDLRRQ-UHFFFAOYSA-N -1 3 375.370 0.385 20 30 GCEDHM CCOC(=O)c1cc(C#N)c(NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)c(C)c1[O-] ZINC001187521269 1205964595 /nfs/dbraw/zinc/96/45/95/1205964595.db2.gz YAYQWIOHNXDONP-LBPRGKRZSA-N -1 3 388.380 0.082 20 30 GCEDHM C#CCC[C@H](O)C[N-]S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br ZINC001189624195 1206013019 /nfs/dbraw/zinc/01/30/19/1206013019.db2.gz VZTGEYLHTOKTFW-QMMMGPOBSA-N -1 3 393.234 0.740 20 30 GCEDHM CS(=O)(=O)N1CCC(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CC1 ZINC000737167317 944974937 /nfs/dbraw/zinc/97/49/37/944974937.db2.gz VRYOVFSQYFRQMX-UHFFFAOYSA-N -1 3 375.414 0.348 20 30 GCEDHM CS(=O)(=O)N1CCC(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CC1 ZINC000737167317 944974941 /nfs/dbraw/zinc/97/49/41/944974941.db2.gz VRYOVFSQYFRQMX-UHFFFAOYSA-N -1 3 375.414 0.348 20 30 GCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1Cc2cnccc2NC1=O ZINC001571285962 945933019 /nfs/dbraw/zinc/93/30/19/945933019.db2.gz SWOXSPOHPUUING-BBRMVZONSA-N -1 3 388.391 0.624 20 30 GCEDHM N#Cc1ccc(N2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)CC[C@H]32)nn1 ZINC001571296146 946187274 /nfs/dbraw/zinc/18/72/74/946187274.db2.gz PBMDYLMPDGIKCO-IAQYHMDHSA-N -1 3 390.411 0.597 20 30 GCEDHM N#Cc1ccc(N2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)CC[C@H]32)nn1 ZINC001571296146 946187283 /nfs/dbraw/zinc/18/72/83/946187283.db2.gz PBMDYLMPDGIKCO-IAQYHMDHSA-N -1 3 390.411 0.597 20 30 GCEDHM N#CCCN(CCN1CCOCC1)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822810376 946194642 /nfs/dbraw/zinc/19/46/42/946194642.db2.gz HROIDBXZFIGWGH-UHFFFAOYSA-N -1 3 398.471 0.031 20 30 GCEDHM N#CCCN(CCN1CCOCC1)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822810376 946194652 /nfs/dbraw/zinc/19/46/52/946194652.db2.gz HROIDBXZFIGWGH-UHFFFAOYSA-N -1 3 398.471 0.031 20 30 GCEDHM CCN(CCC#N)S(=O)(=O)N1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571297934 946200371 /nfs/dbraw/zinc/20/03/71/946200371.db2.gz DUKTVYKUBFAYFC-UHFFFAOYSA-N -1 3 390.473 0.921 20 30 GCEDHM CCN(CCC#N)S(=O)(=O)N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571297934 946200378 /nfs/dbraw/zinc/20/03/78/946200378.db2.gz DUKTVYKUBFAYFC-UHFFFAOYSA-N -1 3 390.473 0.921 20 30 GCEDHM N#Cc1cccc(CN2CCO[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571309714 946450713 /nfs/dbraw/zinc/45/07/13/946450713.db2.gz IMBSXZSTGXJWKF-MRXNPFEDSA-N -1 3 392.423 0.697 20 30 GCEDHM N#Cc1cccc(CN2CCO[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571309714 946450721 /nfs/dbraw/zinc/45/07/21/946450721.db2.gz IMBSXZSTGXJWKF-MRXNPFEDSA-N -1 3 392.423 0.697 20 30 GCEDHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001571312359 946490154 /nfs/dbraw/zinc/49/01/54/946490154.db2.gz AGKAOVBFUQUMSF-LLVKDONJSA-N -1 3 392.427 0.891 20 30 GCEDHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001571312359 946490159 /nfs/dbraw/zinc/49/01/59/946490159.db2.gz AGKAOVBFUQUMSF-LLVKDONJSA-N -1 3 392.427 0.891 20 30 GCEDHM CC1(C)CN(c2cncc(C#N)n2)CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571313140 946514063 /nfs/dbraw/zinc/51/40/63/946514063.db2.gz ORRXWOMOEWAELV-CQSZACIVSA-N -1 3 392.427 0.891 20 30 GCEDHM CC1(C)CN(c2cncc(C#N)n2)CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571313140 946514070 /nfs/dbraw/zinc/51/40/70/946514070.db2.gz ORRXWOMOEWAELV-CQSZACIVSA-N -1 3 392.427 0.891 20 30 GCEDHM CC(C)(C#N)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824059266 946573231 /nfs/dbraw/zinc/57/32/31/946573231.db2.gz RFAUSQCPCBESDD-LBPRGKRZSA-N -1 3 383.368 0.917 20 30 GCEDHM CC(C)(C#N)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824059266 946573234 /nfs/dbraw/zinc/57/32/34/946573234.db2.gz RFAUSQCPCBESDD-LBPRGKRZSA-N -1 3 383.368 0.917 20 30 GCEDHM C#CCN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCN(Cc2ncccn2)CC1 ZINC001573282558 946692742 /nfs/dbraw/zinc/69/27/42/946692742.db2.gz KIUSQVWOIKWFSH-UHFFFAOYSA-N -1 3 391.439 0.725 20 30 GCEDHM C#CCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCN(Cc2ncccn2)CC1 ZINC001573282558 946692746 /nfs/dbraw/zinc/69/27/46/946692746.db2.gz KIUSQVWOIKWFSH-UHFFFAOYSA-N -1 3 391.439 0.725 20 30 GCEDHM C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1OCC ZINC001573283763 946724607 /nfs/dbraw/zinc/72/46/07/946724607.db2.gz MVDXKIPFQIHLKB-GDBMZVCRSA-N -1 3 399.455 0.592 20 30 GCEDHM C#CCCCC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1OCC ZINC001573283763 946724615 /nfs/dbraw/zinc/72/46/15/946724615.db2.gz MVDXKIPFQIHLKB-GDBMZVCRSA-N -1 3 399.455 0.592 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1CC=C(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573286007 946792274 /nfs/dbraw/zinc/79/22/74/946792274.db2.gz RGGLMQOFPUIHFU-LBPRGKRZSA-N -1 3 383.412 0.122 20 30 GCEDHM C#CCO[C@@H](C)C(=O)N1CC=C(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573286007 946792281 /nfs/dbraw/zinc/79/22/81/946792281.db2.gz RGGLMQOFPUIHFU-LBPRGKRZSA-N -1 3 383.412 0.122 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573286047 946795472 /nfs/dbraw/zinc/79/54/72/946795472.db2.gz SJFRDSJKTGQICH-HIFRSBDPSA-N -1 3 384.419 0.193 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573286047 946795479 /nfs/dbraw/zinc/79/54/79/946795479.db2.gz SJFRDSJKTGQICH-HIFRSBDPSA-N -1 3 384.419 0.193 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1 ZINC001573286155 946796368 /nfs/dbraw/zinc/79/63/68/946796368.db2.gz VAUBNOMHEFCURT-DAYGRLMNSA-N -1 3 392.467 0.254 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1 ZINC001573286155 946796371 /nfs/dbraw/zinc/79/63/71/946796371.db2.gz VAUBNOMHEFCURT-DAYGRLMNSA-N -1 3 392.467 0.254 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC[C@H](CC)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573286201 946797379 /nfs/dbraw/zinc/79/73/79/946797379.db2.gz WCDNJOGQIJEOAX-ZFWWWQNUSA-N -1 3 386.435 0.805 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)NC[C@H](CC)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573286201 946797383 /nfs/dbraw/zinc/79/73/83/946797383.db2.gz WCDNJOGQIJEOAX-ZFWWWQNUSA-N -1 3 386.435 0.805 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N[C@H](C)CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573286172 946797815 /nfs/dbraw/zinc/79/78/15/946797815.db2.gz VORCWHCDIBYGTG-DOMZBBRYSA-N -1 3 383.460 0.369 20 30 GCEDHM C#CCN1CCC[C@H]1C(=O)N[C@H](C)CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573286172 946797821 /nfs/dbraw/zinc/79/78/21/946797821.db2.gz VORCWHCDIBYGTG-DOMZBBRYSA-N -1 3 383.460 0.369 20 30 GCEDHM C#CCO[C@H](C)C(=O)NC[C@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC001573286979 946822609 /nfs/dbraw/zinc/82/26/09/946822609.db2.gz JPUXFOJIUAPTSV-ZBFHGGJFSA-N -1 3 384.440 0.222 20 30 GCEDHM C#CCO[C@H](C)C(=O)NC[C@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC001573286979 946822621 /nfs/dbraw/zinc/82/26/21/946822621.db2.gz JPUXFOJIUAPTSV-ZBFHGGJFSA-N -1 3 384.440 0.222 20 30 GCEDHM C#CCO[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21 ZINC001573288710 946877601 /nfs/dbraw/zinc/87/76/01/946877601.db2.gz YAPJCSZHEOZMPY-ZRJCITRHSA-N -1 3 385.403 0.238 20 30 GCEDHM C#CCO[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21 ZINC001573288710 946877614 /nfs/dbraw/zinc/87/76/14/946877614.db2.gz YAPJCSZHEOZMPY-ZRJCITRHSA-N -1 3 385.403 0.238 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001573289161 946881347 /nfs/dbraw/zinc/88/13/47/946881347.db2.gz WWJGCUHXXBIEDB-LBPRGKRZSA-N -1 3 390.407 0.463 20 30 GCEDHM C#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001573289161 946881349 /nfs/dbraw/zinc/88/13/49/946881349.db2.gz WWJGCUHXXBIEDB-LBPRGKRZSA-N -1 3 390.407 0.463 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC1(C#N)CC1 ZINC000824640292 946881852 /nfs/dbraw/zinc/88/18/52/946881852.db2.gz FWJQECQSYQOQIK-JTQLQIEISA-N -1 3 376.398 0.380 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC1(C#N)CC1 ZINC000824640292 946881865 /nfs/dbraw/zinc/88/18/65/946881865.db2.gz FWJQECQSYQOQIK-JTQLQIEISA-N -1 3 376.398 0.380 20 30 GCEDHM C#Cc1ccccc1CC(=O)NC[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573289849 946894666 /nfs/dbraw/zinc/89/46/66/946894666.db2.gz DXLBTZVFWAKHLO-CYBMUJFWSA-N -1 3 391.435 0.901 20 30 GCEDHM C#Cc1ccccc1CC(=O)NC[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573289849 946894673 /nfs/dbraw/zinc/89/46/73/946894673.db2.gz DXLBTZVFWAKHLO-CYBMUJFWSA-N -1 3 391.435 0.901 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)C[C@H]2O)cn1 ZINC001573290227 946900905 /nfs/dbraw/zinc/90/09/05/946900905.db2.gz HFJQITXBBSCAIB-HUUCEWRRSA-N -1 3 395.448 0.280 20 30 GCEDHM C#Cc1ccc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)C[C@H]2O)cn1 ZINC001573290227 946900911 /nfs/dbraw/zinc/90/09/11/946900911.db2.gz HFJQITXBBSCAIB-HUUCEWRRSA-N -1 3 395.448 0.280 20 30 GCEDHM C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC001573290590 946907562 /nfs/dbraw/zinc/90/75/62/946907562.db2.gz LZRWKRHXYCSGJU-UHFFFAOYSA-N -1 3 383.393 0.160 20 30 GCEDHM C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC001573290590 946907569 /nfs/dbraw/zinc/90/75/69/946907569.db2.gz LZRWKRHXYCSGJU-UHFFFAOYSA-N -1 3 383.393 0.160 20 30 GCEDHM C#Cc1cncc(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001573291958 946925617 /nfs/dbraw/zinc/92/56/17/946925617.db2.gz LXLRTNIXBDPSRZ-HNNXBMFYSA-N -1 3 390.407 0.606 20 30 GCEDHM C#Cc1cncc(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001573291958 946925628 /nfs/dbraw/zinc/92/56/28/946925628.db2.gz LXLRTNIXBDPSRZ-HNNXBMFYSA-N -1 3 390.407 0.606 20 30 GCEDHM CC(=O)c1cn(C2CN(C(=O)[C@@H](C#N)Cc3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC001573558347 946937512 /nfs/dbraw/zinc/93/75/12/946937512.db2.gz JOKORXYVKNYVPJ-CQSZACIVSA-N -1 3 391.395 0.427 20 30 GCEDHM C=C(C)C(C)(C)C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573293066 946947665 /nfs/dbraw/zinc/94/76/65/946947665.db2.gz LLUMCMTXVKOGHD-GFCCVEGCSA-N -1 3 375.433 0.346 20 30 GCEDHM C=C(C)C(C)(C)C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573293066 946947676 /nfs/dbraw/zinc/94/76/76/946947676.db2.gz LLUMCMTXVKOGHD-GFCCVEGCSA-N -1 3 375.433 0.346 20 30 GCEDHM C=C(C)C(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573293493 946957228 /nfs/dbraw/zinc/95/72/28/946957228.db2.gz XXYXDHNTQVWGCF-GOSISDBHSA-N -1 3 387.444 0.490 20 30 GCEDHM C=C(C)C(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573293493 946957235 /nfs/dbraw/zinc/95/72/35/946957235.db2.gz XXYXDHNTQVWGCF-GOSISDBHSA-N -1 3 387.444 0.490 20 30 GCEDHM C[C@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573561388 946962837 /nfs/dbraw/zinc/96/28/37/946962837.db2.gz KAINTHUTJXRVMH-KOLCDFICSA-N -1 3 378.824 0.330 20 30 GCEDHM C[C@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573561388 946962845 /nfs/dbraw/zinc/96/28/45/946962845.db2.gz KAINTHUTJXRVMH-KOLCDFICSA-N -1 3 378.824 0.330 20 30 GCEDHM C=C(C)CN(CC)C(=O)CN1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573294079 946977179 /nfs/dbraw/zinc/97/71/79/946977179.db2.gz SWMLZHSNHZVKKF-CYBMUJFWSA-N -1 3 386.460 0.424 20 30 GCEDHM C=C(C)CN(CC)C(=O)CN1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573294079 946977184 /nfs/dbraw/zinc/97/71/84/946977184.db2.gz SWMLZHSNHZVKKF-CYBMUJFWSA-N -1 3 386.460 0.424 20 30 GCEDHM C[C@@H](C#N)C(=O)N(C)CCN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573562933 946981900 /nfs/dbraw/zinc/98/19/00/946981900.db2.gz YCIGCVFEZBWCRO-ZDUSSCGKSA-N -1 3 386.435 0.746 20 30 GCEDHM C[C@@H](C#N)C(=O)N(C)CCN1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573562933 946981903 /nfs/dbraw/zinc/98/19/03/946981903.db2.gz YCIGCVFEZBWCRO-ZDUSSCGKSA-N -1 3 386.435 0.746 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573294337 946984782 /nfs/dbraw/zinc/98/47/82/946984782.db2.gz CHNXDKUVCWZNFI-YCPHGPKFSA-N -1 3 399.455 0.897 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573294337 946984787 /nfs/dbraw/zinc/98/47/87/946984787.db2.gz CHNXDKUVCWZNFI-YCPHGPKFSA-N -1 3 399.455 0.897 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC(C2(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CC1 ZINC001573563665 946986076 /nfs/dbraw/zinc/98/60/76/946986076.db2.gz BTYPPVRQUZMCEM-LLVKDONJSA-N -1 3 382.428 0.855 20 30 GCEDHM C=C(Cl)CN1CCN(CCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573294443 946988713 /nfs/dbraw/zinc/98/87/13/946988713.db2.gz BLCZQADXEMMWBA-UHFFFAOYSA-N -1 3 378.868 0.637 20 30 GCEDHM C=C(Cl)CN1CCN(CCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573294443 946988716 /nfs/dbraw/zinc/98/87/16/946988716.db2.gz BLCZQADXEMMWBA-UHFFFAOYSA-N -1 3 378.868 0.637 20 30 GCEDHM C=C(Cl)CN1CC2(C1)CC[C@H](CNC(=O)c1cc(-c3nnn[n-]3)c[nH]1)O2 ZINC001573294783 946999566 /nfs/dbraw/zinc/99/95/66/946999566.db2.gz HDQOEEDIVYWQES-GFCCVEGCSA-N -1 3 377.836 0.911 20 30 GCEDHM C=C(Cl)CN1CC2(C1)CC[C@H](CNC(=O)c1cc(-c3nn[n-]n3)c[nH]1)O2 ZINC001573294783 946999570 /nfs/dbraw/zinc/99/95/70/946999570.db2.gz HDQOEEDIVYWQES-GFCCVEGCSA-N -1 3 377.836 0.911 20 30 GCEDHM C=C(Cl)CN1CC2(C1)CC[C@@H](CNC(=O)c1cc(-c3nnn[n-]3)c[nH]1)O2 ZINC001573294784 947000749 /nfs/dbraw/zinc/00/07/49/947000749.db2.gz HDQOEEDIVYWQES-LBPRGKRZSA-N -1 3 377.836 0.911 20 30 GCEDHM C=C(Cl)CN1CC2(C1)CC[C@@H](CNC(=O)c1cc(-c3nn[n-]n3)c[nH]1)O2 ZINC001573294784 947000760 /nfs/dbraw/zinc/00/07/60/947000760.db2.gz HDQOEEDIVYWQES-LBPRGKRZSA-N -1 3 377.836 0.911 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573565693 947014078 /nfs/dbraw/zinc/01/40/78/947014078.db2.gz UNGXSVYQPVHKHZ-KZULUSFZSA-N -1 3 382.428 0.809 20 30 GCEDHM C=C(Cl)CN1CCN(CCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573295919 947031621 /nfs/dbraw/zinc/03/16/21/947031621.db2.gz XLGSNHCVOONJIU-UHFFFAOYSA-N -1 3 378.868 0.637 20 30 GCEDHM C=C(Cl)CN1CCN(CCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573295919 947031633 /nfs/dbraw/zinc/03/16/33/947031633.db2.gz XLGSNHCVOONJIU-UHFFFAOYSA-N -1 3 378.868 0.637 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573295940 947033365 /nfs/dbraw/zinc/03/33/65/947033365.db2.gz WCOONMVFRAOKSL-WHOFXGATSA-N -1 3 387.444 0.753 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573295940 947033373 /nfs/dbraw/zinc/03/33/73/947033373.db2.gz WCOONMVFRAOKSL-WHOFXGATSA-N -1 3 387.444 0.753 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC[C@H](N(CCO)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573567647 947051076 /nfs/dbraw/zinc/05/10/76/947051076.db2.gz PYFUTRZLHNDJFM-OLZOCXBDSA-N -1 3 387.419 0.955 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC[C@H](N(CCO)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573567647 947051084 /nfs/dbraw/zinc/05/10/84/947051084.db2.gz PYFUTRZLHNDJFM-OLZOCXBDSA-N -1 3 387.419 0.955 20 30 GCEDHM C=C1CC(C)(C(=O)N2CCO[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001573296951 947057284 /nfs/dbraw/zinc/05/72/84/947057284.db2.gz CGDOORDHRLTGHF-LBPRGKRZSA-N -1 3 385.428 0.508 20 30 GCEDHM C=C1CC(C)(C(=O)N2CCO[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001573296951 947057298 /nfs/dbraw/zinc/05/72/98/947057298.db2.gz CGDOORDHRLTGHF-LBPRGKRZSA-N -1 3 385.428 0.508 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC[C@@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001573567899 947058726 /nfs/dbraw/zinc/05/87/26/947058726.db2.gz UPAVLHRIDLTKLB-KZULUSFZSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@H](C#N)C(=O)N1CCC[C@@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001573567899 947058739 /nfs/dbraw/zinc/05/87/39/947058739.db2.gz UPAVLHRIDLTKLB-KZULUSFZSA-N -1 3 382.428 0.809 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@@]2(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCC[C@@H]12 ZINC001573569527 947070598 /nfs/dbraw/zinc/07/05/98/947070598.db2.gz APOZDHGJBXOJBH-YRILPIOLSA-N -1 3 382.428 0.855 20 30 GCEDHM C[C@H](C#N)C(=O)N1CC[C@@]2(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCC[C@@H]12 ZINC001573570051 947082339 /nfs/dbraw/zinc/08/23/39/947082339.db2.gz IXKSBQOJKQUTGS-YRILPIOLSA-N -1 3 382.428 0.855 20 30 GCEDHM C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573570579 947090388 /nfs/dbraw/zinc/09/03/88/947090388.db2.gz QXLPNOCLCYKCDA-VTPLQMEGSA-N -1 3 382.428 0.854 20 30 GCEDHM C[C@H](C#N)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573570578 947092456 /nfs/dbraw/zinc/09/24/56/947092456.db2.gz QXLPNOCLCYKCDA-MHDGFBEUSA-N -1 3 382.428 0.854 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)CC1 ZINC001573570776 947094677 /nfs/dbraw/zinc/09/46/77/947094677.db2.gz TXGSOARYLFGWJH-DZGCQCFKSA-N -1 3 381.444 0.144 20 30 GCEDHM C[C@@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC001573570776 947094695 /nfs/dbraw/zinc/09/46/95/947094695.db2.gz TXGSOARYLFGWJH-DZGCQCFKSA-N -1 3 381.444 0.144 20 30 GCEDHM C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2O)C1 ZINC001573300281 947109613 /nfs/dbraw/zinc/10/96/13/947109613.db2.gz WJIGTICWPJJPPW-JSGCOSHPSA-N -1 3 385.428 0.243 20 30 GCEDHM C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2O)C1 ZINC001573300281 947109616 /nfs/dbraw/zinc/10/96/16/947109616.db2.gz WJIGTICWPJJPPW-JSGCOSHPSA-N -1 3 385.428 0.243 20 30 GCEDHM C=C(C)CCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573300438 947110337 /nfs/dbraw/zinc/11/03/37/947110337.db2.gz QDAJVUJDCJJEGD-SWLSCSKDSA-N -1 3 387.444 0.897 20 30 GCEDHM C=C(C)CCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573300438 947110345 /nfs/dbraw/zinc/11/03/45/947110345.db2.gz QDAJVUJDCJJEGD-SWLSCSKDSA-N -1 3 387.444 0.897 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573573105 947119225 /nfs/dbraw/zinc/11/92/25/947119225.db2.gz MPHVXUBQRTVTIT-KZULUSFZSA-N -1 3 387.419 0.609 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573300700 947120375 /nfs/dbraw/zinc/12/03/75/947120375.db2.gz SFRVMLLVVHUIGP-OAHLLOKOSA-N -1 3 386.460 0.911 20 30 GCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573300700 947120383 /nfs/dbraw/zinc/12/03/83/947120383.db2.gz SFRVMLLVVHUIGP-OAHLLOKOSA-N -1 3 386.460 0.911 20 30 GCEDHM C=CC(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573301164 947131189 /nfs/dbraw/zinc/13/11/89/947131189.db2.gz SMKXLWUJMNYGCT-GOSISDBHSA-N -1 3 387.444 0.490 20 30 GCEDHM C=CC(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573301164 947131195 /nfs/dbraw/zinc/13/11/95/947131195.db2.gz SMKXLWUJMNYGCT-GOSISDBHSA-N -1 3 387.444 0.490 20 30 GCEDHM C[C@H](C#N)C(=O)NC1(C2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CC1 ZINC001573575351 947137613 /nfs/dbraw/zinc/13/76/13/947137613.db2.gz XPCQSPBWYUMTDP-LLVKDONJSA-N -1 3 382.428 0.855 20 30 GCEDHM C[C@@H](C#N)C(=O)NC[C@H]1CCC2(CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)O1 ZINC001573577141 947161372 /nfs/dbraw/zinc/16/13/72/947161372.db2.gz MQEZXLWILPOWJB-XJKSGUPXSA-N -1 3 381.440 0.876 20 30 GCEDHM C=CC(C)(C)CC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573306101 947165482 /nfs/dbraw/zinc/16/54/82/947165482.db2.gz XJDZMHRYTYHPMX-ZDUSSCGKSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CC(C)(C)CC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573306101 947165494 /nfs/dbraw/zinc/16/54/94/947165494.db2.gz XJDZMHRYTYHPMX-ZDUSSCGKSA-N -1 3 387.444 0.754 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@H]1COC2(CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001573577955 947178813 /nfs/dbraw/zinc/17/88/13/947178813.db2.gz WGTAKYQQKTXQND-DGCLKSJQSA-N -1 3 385.403 0.625 20 30 GCEDHM C[C@H](C#N)C(=O)N[C@H]1COC2(CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)C1 ZINC001573577955 947178818 /nfs/dbraw/zinc/17/88/18/947178818.db2.gz WGTAKYQQKTXQND-DGCLKSJQSA-N -1 3 385.403 0.625 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CC[C@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573309014 947189803 /nfs/dbraw/zinc/18/98/03/947189803.db2.gz BDJDJGVOFZDRLG-QZTJIDSGSA-N -1 3 387.444 0.490 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1CC[C@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573309014 947189809 /nfs/dbraw/zinc/18/98/09/947189809.db2.gz BDJDJGVOFZDRLG-QZTJIDSGSA-N -1 3 387.444 0.490 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)NC[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573309318 947195821 /nfs/dbraw/zinc/19/58/21/947195821.db2.gz GRXBQWTWNLLEOA-SUMWQHHRSA-N -1 3 375.433 0.393 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)NC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573309318 947195826 /nfs/dbraw/zinc/19/58/26/947195826.db2.gz GRXBQWTWNLLEOA-SUMWQHHRSA-N -1 3 375.433 0.393 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)CCCO1 ZINC001573582814 947197025 /nfs/dbraw/zinc/19/70/25/947197025.db2.gz HFXURNGFSYHPSQ-PWSUYJOCSA-N -1 3 390.835 0.786 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)CCCO1 ZINC001573582814 947197028 /nfs/dbraw/zinc/19/70/28/947197028.db2.gz HFXURNGFSYHPSQ-PWSUYJOCSA-N -1 3 390.835 0.786 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N[C@H](CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573309488 947199921 /nfs/dbraw/zinc/19/99/21/947199921.db2.gz JKXUBGSSTXACEJ-FZKQIMNGSA-N -1 3 389.460 0.783 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N[C@H](CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573309488 947199927 /nfs/dbraw/zinc/19/99/27/947199927.db2.gz JKXUBGSSTXACEJ-FZKQIMNGSA-N -1 3 389.460 0.783 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CC(C)C ZINC001573309445 947200247 /nfs/dbraw/zinc/20/02/47/947200247.db2.gz JAIDMUGBHXIZNH-KPZWWZAWSA-N -1 3 389.460 0.783 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CC(C)C ZINC001573309445 947200259 /nfs/dbraw/zinc/20/02/59/947200259.db2.gz JAIDMUGBHXIZNH-KPZWWZAWSA-N -1 3 389.460 0.783 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1(F)F ZINC001573583135 947200984 /nfs/dbraw/zinc/20/09/84/947200984.db2.gz KBVVFKUZCXDISG-NXEZZACHSA-N -1 3 392.370 0.568 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1(F)F ZINC001573583135 947200993 /nfs/dbraw/zinc/20/09/93/947200993.db2.gz KBVVFKUZCXDISG-NXEZZACHSA-N -1 3 392.370 0.568 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573309861 947210117 /nfs/dbraw/zinc/21/01/17/947210117.db2.gz PBQSHZQFEUFFGE-BZNIZROVSA-N -1 3 377.836 0.937 20 30 GCEDHM C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573309861 947210127 /nfs/dbraw/zinc/21/01/27/947210127.db2.gz PBQSHZQFEUFFGE-BZNIZROVSA-N -1 3 377.836 0.937 20 30 GCEDHM C=C[C@](C)(CCOC)C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573310037 947216196 /nfs/dbraw/zinc/21/61/96/947216196.db2.gz RNGMVCQWFZEGES-APPDUMDISA-N -1 3 375.433 0.658 20 30 GCEDHM C=C[C@](C)(CCOC)C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573310037 947216209 /nfs/dbraw/zinc/21/62/09/947216209.db2.gz RNGMVCQWFZEGES-APPDUMDISA-N -1 3 375.433 0.658 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC[C@@H]2C1 ZINC001573310231 947217876 /nfs/dbraw/zinc/21/78/76/947217876.db2.gz VJYORDZSVZGTRX-SPKLELGKSA-N -1 3 399.455 0.442 20 30 GCEDHM C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC[C@@H]2C1 ZINC001573310231 947217881 /nfs/dbraw/zinc/21/78/81/947217881.db2.gz VJYORDZSVZGTRX-SPKLELGKSA-N -1 3 399.455 0.442 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573584635 947229508 /nfs/dbraw/zinc/22/95/08/947229508.db2.gz ZRZBPSLLGGRWCK-MHDGFBEUSA-N -1 3 382.428 0.854 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573584924 947236976 /nfs/dbraw/zinc/23/69/76/947236976.db2.gz HLPMHNJOBJBZBZ-DRZCJDIDSA-N -1 3 390.407 0.866 20 30 GCEDHM C[C@@H](C#N)C(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573584924 947236988 /nfs/dbraw/zinc/23/69/88/947236988.db2.gz HLPMHNJOBJBZBZ-DRZCJDIDSA-N -1 3 390.407 0.866 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)CC2 ZINC001573584870 947238533 /nfs/dbraw/zinc/23/85/33/947238533.db2.gz GZFUNPKNAHXXGQ-YRILPIOLSA-N -1 3 382.428 0.855 20 30 GCEDHM C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1N(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CC2 ZINC001573584870 947238545 /nfs/dbraw/zinc/23/85/45/947238545.db2.gz GZFUNPKNAHXXGQ-YRILPIOLSA-N -1 3 382.428 0.855 20 30 GCEDHM C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573320200 947343307 /nfs/dbraw/zinc/34/33/07/947343307.db2.gz VFNSPSZBNSSHDC-UHFFFAOYSA-N -1 3 375.433 0.348 20 30 GCEDHM C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573320200 947343319 /nfs/dbraw/zinc/34/33/19/947343319.db2.gz VFNSPSZBNSSHDC-UHFFFAOYSA-N -1 3 375.433 0.348 20 30 GCEDHM CN(CC(C)(C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(=O)c1c[nH]c(C#N)c1 ZINC000825897662 947362951 /nfs/dbraw/zinc/36/29/51/947362951.db2.gz KHELQIPLHKRUTK-UHFFFAOYSA-N -1 3 395.427 0.923 20 30 GCEDHM CN(CC(C)(C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(=O)c1c[nH]c(C#N)c1 ZINC000825897662 947362963 /nfs/dbraw/zinc/36/29/63/947362963.db2.gz KHELQIPLHKRUTK-UHFFFAOYSA-N -1 3 395.427 0.923 20 30 GCEDHM C=CCC1(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCC1 ZINC001573326783 947378767 /nfs/dbraw/zinc/37/87/67/947378767.db2.gz VGEFSJABQHCNBK-ZDUSSCGKSA-N -1 3 387.444 0.538 20 30 GCEDHM C=CCC1(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCC1 ZINC001573326783 947378776 /nfs/dbraw/zinc/37/87/76/947378776.db2.gz VGEFSJABQHCNBK-ZDUSSCGKSA-N -1 3 387.444 0.538 20 30 GCEDHM C=CCCOCC(=O)NC[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573335570 947481867 /nfs/dbraw/zinc/48/18/67/947481867.db2.gz ASLFXEKTVDJYDO-KRWDZBQOSA-N -1 3 386.456 0.776 20 30 GCEDHM C=CCCOCC(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573335570 947481873 /nfs/dbraw/zinc/48/18/73/947481873.db2.gz ASLFXEKTVDJYDO-KRWDZBQOSA-N -1 3 386.456 0.776 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573335699 947486977 /nfs/dbraw/zinc/48/69/77/947486977.db2.gz CLOPKHOEMRSTEP-ZFWWWQNUSA-N -1 3 387.444 0.882 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573335699 947486981 /nfs/dbraw/zinc/48/69/81/947486981.db2.gz CLOPKHOEMRSTEP-ZFWWWQNUSA-N -1 3 387.444 0.882 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1OC ZINC001573335769 947488342 /nfs/dbraw/zinc/48/83/42/947488342.db2.gz DJWASCHOHAJFRR-NWANDNLSSA-N -1 3 387.444 0.563 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1OC ZINC001573335769 947488349 /nfs/dbraw/zinc/48/83/49/947488349.db2.gz DJWASCHOHAJFRR-NWANDNLSSA-N -1 3 387.444 0.563 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N[C@H](C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573335825 947489345 /nfs/dbraw/zinc/48/93/45/947489345.db2.gz FATFKHOOVZUWPA-VXGBXAGGSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CCCO[C@H](C)C(=O)N[C@H](C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573335825 947489353 /nfs/dbraw/zinc/48/93/53/947489353.db2.gz FATFKHOOVZUWPA-VXGBXAGGSA-N -1 3 387.444 0.753 20 30 GCEDHM C=CCCOCC(=O)N[C@H]1CC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573335989 947494710 /nfs/dbraw/zinc/49/47/10/947494710.db2.gz GUJHUPYUAONQMH-OCCSQVGLSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCCOCC(=O)N[C@H]1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573335989 947494720 /nfs/dbraw/zinc/49/47/20/947494720.db2.gz GUJHUPYUAONQMH-OCCSQVGLSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCCOCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001573336593 947509173 /nfs/dbraw/zinc/50/91/73/947509173.db2.gz PNZFGOCGKFRPLM-GXTWGEPZSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CCCOCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001573336593 947509182 /nfs/dbraw/zinc/50/91/82/947509182.db2.gz PNZFGOCGKFRPLM-GXTWGEPZSA-N -1 3 387.444 0.754 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573336781 947511133 /nfs/dbraw/zinc/51/11/33/947511133.db2.gz RAAZMXOTIKDBOR-JSGCOSHPSA-N -1 3 387.444 0.849 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573336781 947511145 /nfs/dbraw/zinc/51/11/45/947511145.db2.gz RAAZMXOTIKDBOR-JSGCOSHPSA-N -1 3 387.444 0.849 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573337030 947514467 /nfs/dbraw/zinc/51/44/67/947514467.db2.gz SVCYGJAVHOPNDY-LBPRGKRZSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCO[C@@H](C)C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573337030 947514473 /nfs/dbraw/zinc/51/44/73/947514473.db2.gz SVCYGJAVHOPNDY-LBPRGKRZSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCO[C@H](C)C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573337028 947514747 /nfs/dbraw/zinc/51/47/47/947514747.db2.gz SVCYGJAVHOPNDY-GFCCVEGCSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCO[C@H](C)C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573337028 947514755 /nfs/dbraw/zinc/51/47/55/947514755.db2.gz SVCYGJAVHOPNDY-GFCCVEGCSA-N -1 3 387.444 0.897 20 30 GCEDHM C=CCCn1cc(C(=O)NC[C@H](C)N(C)c2ccc(-c3nnn[n-]3)nc2)nn1 ZINC001573342001 947536084 /nfs/dbraw/zinc/53/60/84/947536084.db2.gz SCCNZZRFFCPJKD-LBPRGKRZSA-N -1 3 382.432 0.684 20 30 GCEDHM C=CCCn1cc(C(=O)NC[C@H](C)N(C)c2ccc(-c3nn[n-]n3)nc2)nn1 ZINC001573342001 947536089 /nfs/dbraw/zinc/53/60/89/947536089.db2.gz SCCNZZRFFCPJKD-LBPRGKRZSA-N -1 3 382.432 0.684 20 30 GCEDHM C=CCOCC(=O)N1CCC[C@@H]1CCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573343127 947551601 /nfs/dbraw/zinc/55/16/01/947551601.db2.gz JRBPRUYCOGGSEO-ZDUSSCGKSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCOCC(=O)N1CCC[C@@H]1CCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573343127 947551612 /nfs/dbraw/zinc/55/16/12/947551612.db2.gz JRBPRUYCOGGSEO-ZDUSSCGKSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCOCC(=O)NC1(CCO)CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573343393 947556703 /nfs/dbraw/zinc/55/67/03/947556703.db2.gz OMHAGFXLMYFFBK-UHFFFAOYSA-N -1 3 390.419 0.261 20 30 GCEDHM C=CCOCC(=O)NC1(CCO)CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573343393 947556712 /nfs/dbraw/zinc/55/67/12/947556712.db2.gz OMHAGFXLMYFFBK-UHFFFAOYSA-N -1 3 390.419 0.261 20 30 GCEDHM C=CCOCC(=O)N[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001573343404 947557083 /nfs/dbraw/zinc/55/70/83/947557083.db2.gz OUXLOHWYJLNGOE-HNNXBMFYSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCOCC(=O)N[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC001573343404 947557089 /nfs/dbraw/zinc/55/70/89/947557089.db2.gz OUXLOHWYJLNGOE-HNNXBMFYSA-N -1 3 387.444 0.802 20 30 GCEDHM C=CCn1cc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001573347169 947571404 /nfs/dbraw/zinc/57/14/04/947571404.db2.gz ANPMRENAYGTTNP-CYBMUJFWSA-N -1 3 380.416 0.756 20 30 GCEDHM C=CCn1cc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001573347169 947571413 /nfs/dbraw/zinc/57/14/13/947571413.db2.gz ANPMRENAYGTTNP-CYBMUJFWSA-N -1 3 380.416 0.756 20 30 GCEDHM C=CCOCCCC(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21 ZINC001573347844 947576008 /nfs/dbraw/zinc/57/60/08/947576008.db2.gz IVTAOBOWIHGRON-VIKVFOODSA-N -1 3 387.419 0.934 20 30 GCEDHM C=CCOCCCC(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21 ZINC001573347844 947576013 /nfs/dbraw/zinc/57/60/13/947576013.db2.gz IVTAOBOWIHGRON-VIKVFOODSA-N -1 3 387.419 0.934 20 30 GCEDHM C=CCOCCCC(=O)N1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573348424 947583755 /nfs/dbraw/zinc/58/37/55/947583755.db2.gz QJBPXLSTRHRXKO-AWEZNQCLSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCOCCCC(=O)N1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573348424 947583767 /nfs/dbraw/zinc/58/37/67/947583767.db2.gz QJBPXLSTRHRXKO-AWEZNQCLSA-N -1 3 387.444 0.898 20 30 GCEDHM C=CCn1cc(C(=O)N(C)CCCN(C)c2ncccc2-c2nnn[n-]2)nn1 ZINC001573348493 947584832 /nfs/dbraw/zinc/58/48/32/947584832.db2.gz RBZVXEWBJOCIPR-UHFFFAOYSA-N -1 3 382.432 0.638 20 30 GCEDHM C=CCn1cc(C(=O)N(C)CCCN(C)c2ncccc2-c2nn[n-]n2)nn1 ZINC001573348493 947584850 /nfs/dbraw/zinc/58/48/50/947584850.db2.gz RBZVXEWBJOCIPR-UHFFFAOYSA-N -1 3 382.432 0.638 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1 ZINC001573350258 947594447 /nfs/dbraw/zinc/59/44/47/947594447.db2.gz BDMYYOQAWTWXJY-CTASWTNQSA-N -1 3 381.440 0.747 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1 ZINC001573350258 947594454 /nfs/dbraw/zinc/59/44/54/947594454.db2.gz BDMYYOQAWTWXJY-CTASWTNQSA-N -1 3 381.440 0.747 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1OC ZINC001573350449 947596639 /nfs/dbraw/zinc/59/66/39/947596639.db2.gz BPXJNWYEBREBMA-LVQVYYBASA-N -1 3 399.455 0.481 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1OC ZINC001573350449 947596645 /nfs/dbraw/zinc/59/66/45/947596645.db2.gz BPXJNWYEBREBMA-LVQVYYBASA-N -1 3 399.455 0.481 20 30 GCEDHM C[C@H](C(=O)N1CC[C@@H](N(C)c2cccc(-c3nnn[n-]3)c2)C1)n1cnc(C#N)n1 ZINC001573615262 947601254 /nfs/dbraw/zinc/60/12/54/947601254.db2.gz CRXHAWJYVPZRGU-IUODEOHRSA-N -1 3 392.427 0.628 20 30 GCEDHM C[C@H](C(=O)N1CC[C@@H](N(C)c2cccc(-c3nn[n-]n3)c2)C1)n1cnc(C#N)n1 ZINC001573615262 947601260 /nfs/dbraw/zinc/60/12/60/947601260.db2.gz CRXHAWJYVPZRGU-IUODEOHRSA-N -1 3 392.427 0.628 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573350975 947605724 /nfs/dbraw/zinc/60/57/24/947605724.db2.gz MLHLZMDNWUHEJU-XPKDYRNWSA-N -1 3 399.455 0.754 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573350975 947605735 /nfs/dbraw/zinc/60/57/35/947605735.db2.gz MLHLZMDNWUHEJU-XPKDYRNWSA-N -1 3 399.455 0.754 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573352154 947627847 /nfs/dbraw/zinc/62/78/47/947627847.db2.gz WJBCHJVMVKDWSE-LZWOXQAQSA-N -1 3 382.424 0.927 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573352154 947627858 /nfs/dbraw/zinc/62/78/58/947627858.db2.gz WJBCHJVMVKDWSE-LZWOXQAQSA-N -1 3 382.424 0.927 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573352153 947628423 /nfs/dbraw/zinc/62/84/23/947628423.db2.gz WJBCHJVMVKDWSE-DZKIICNBSA-N -1 3 382.424 0.927 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573352153 947628428 /nfs/dbraw/zinc/62/84/28/947628428.db2.gz WJBCHJVMVKDWSE-DZKIICNBSA-N -1 3 382.424 0.927 20 30 GCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](C)CN1C(=O)c1c[nH]c(C#N)c1 ZINC000826232483 947680569 /nfs/dbraw/zinc/68/05/69/947680569.db2.gz PGTDJMHEPQLJHF-MNOVXSKESA-N -1 3 393.411 0.770 20 30 GCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](C)CN1C(=O)c1c[nH]c(C#N)c1 ZINC000826232483 947680574 /nfs/dbraw/zinc/68/05/74/947680574.db2.gz PGTDJMHEPQLJHF-MNOVXSKESA-N -1 3 393.411 0.770 20 30 GCEDHM C[C@H](C(=O)N1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1)n1cnc(C#N)n1 ZINC001573623019 947683324 /nfs/dbraw/zinc/68/33/24/947683324.db2.gz CUYRCLJGSJBAHA-LLVKDONJSA-N -1 3 378.400 0.692 20 30 GCEDHM C[C@H](C(=O)N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1)n1cnc(C#N)n1 ZINC001573623019 947683330 /nfs/dbraw/zinc/68/33/30/947683330.db2.gz CUYRCLJGSJBAHA-LLVKDONJSA-N -1 3 378.400 0.692 20 30 GCEDHM Cc1onc(CC(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1C#N ZINC000826344671 948011609 /nfs/dbraw/zinc/01/16/09/948011609.db2.gz OFJUHMZNEMPGSF-UHFFFAOYSA-N -1 3 392.423 0.922 20 30 GCEDHM Cc1onc(CC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1C#N ZINC000826344671 948011618 /nfs/dbraw/zinc/01/16/18/948011618.db2.gz OFJUHMZNEMPGSF-UHFFFAOYSA-N -1 3 392.423 0.922 20 30 GCEDHM Cc1onc(CC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1C#N ZINC000826344930 948016553 /nfs/dbraw/zinc/01/65/53/948016553.db2.gz WUKIUDZCLUUDHV-UHFFFAOYSA-N -1 3 378.396 0.926 20 30 GCEDHM Cc1onc(CC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1C#N ZINC000826344930 948016558 /nfs/dbraw/zinc/01/65/58/948016558.db2.gz WUKIUDZCLUUDHV-UHFFFAOYSA-N -1 3 378.396 0.926 20 30 GCEDHM N#Cc1cc(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c[nH]1 ZINC000826383656 948184676 /nfs/dbraw/zinc/18/46/76/948184676.db2.gz KRSPBPRIHFAOSP-HZMBPMFUSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1cc(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c[nH]1 ZINC000826383656 948184681 /nfs/dbraw/zinc/18/46/81/948184681.db2.gz KRSPBPRIHFAOSP-HZMBPMFUSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1ncn(CC(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)n1 ZINC000826388017 948192196 /nfs/dbraw/zinc/19/21/96/948192196.db2.gz DZXXCZYKPZICNK-UHFFFAOYSA-N -1 3 395.774 0.808 20 30 GCEDHM N#Cc1ncn(CC(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)n1 ZINC000826388017 948192200 /nfs/dbraw/zinc/19/22/00/948192200.db2.gz DZXXCZYKPZICNK-UHFFFAOYSA-N -1 3 395.774 0.808 20 30 GCEDHM CC(C)(C#N)CS(=O)(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573761291 948841441 /nfs/dbraw/zinc/84/14/41/948841441.db2.gz GMUPOXPRTQALTN-UHFFFAOYSA-N -1 3 376.446 0.263 20 30 GCEDHM CC(C)(C#N)CS(=O)(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573761291 948841459 /nfs/dbraw/zinc/84/14/59/948841459.db2.gz GMUPOXPRTQALTN-UHFFFAOYSA-N -1 3 376.446 0.263 20 30 GCEDHM C[C@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(Cc2ncc(C#N)cn2)C1=O ZINC001575856612 949248795 /nfs/dbraw/zinc/24/87/95/949248795.db2.gz ILNDVYUWOHTLRV-QGZVFWFLSA-N -1 3 375.352 0.496 20 30 GCEDHM C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(Cc2ncc(C#N)cn2)C1=O ZINC001575856612 949248818 /nfs/dbraw/zinc/24/88/18/949248818.db2.gz ILNDVYUWOHTLRV-QGZVFWFLSA-N -1 3 375.352 0.496 20 30 GCEDHM C[C@H]1CCCN(C(=O)C#CC2CC2)[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576169408 949677595 /nfs/dbraw/zinc/67/75/95/949677595.db2.gz XVBFPTDZHJIHHL-BLLLJJGKSA-N -1 3 381.440 0.965 20 30 GCEDHM C[C@H]1CCCN(C(=O)C#CC2CC2)[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576169408 949677606 /nfs/dbraw/zinc/67/76/06/949677606.db2.gz XVBFPTDZHJIHHL-BLLLJJGKSA-N -1 3 381.440 0.965 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1c1ccc(C#N)nn1 ZINC001575884569 949847474 /nfs/dbraw/zinc/84/74/74/949847474.db2.gz UVASXTBVOXWOKO-ZWNOBZJWSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1c1ccc(C#N)nn1 ZINC001575884569 949847499 /nfs/dbraw/zinc/84/74/99/949847499.db2.gz UVASXTBVOXWOKO-ZWNOBZJWSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1c1ccnc(C#N)n1 ZINC001575888965 949923083 /nfs/dbraw/zinc/92/30/83/949923083.db2.gz QTVXLWUNSRJLOB-JQWIXIFHSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1c1ccnc(C#N)n1 ZINC001575888965 949923101 /nfs/dbraw/zinc/92/31/01/949923101.db2.gz QTVXLWUNSRJLOB-JQWIXIFHSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575889484 949933497 /nfs/dbraw/zinc/93/34/97/949933497.db2.gz SDLUHNZSMOVKMY-JOYOIKCWSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575889484 949933515 /nfs/dbraw/zinc/93/35/15/949933515.db2.gz SDLUHNZSMOVKMY-JOYOIKCWSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1c1nccnc1C#N ZINC001575890178 949949566 /nfs/dbraw/zinc/94/95/66/949949566.db2.gz VWSYBKRKELKFCW-PWSUYJOCSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1c1nccnc1C#N ZINC001575890178 949949587 /nfs/dbraw/zinc/94/95/87/949949587.db2.gz VWSYBKRKELKFCW-PWSUYJOCSA-N -1 3 378.400 0.644 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575890788 949961676 /nfs/dbraw/zinc/96/16/76/949961676.db2.gz ZXNNUMCZLOTTRL-SKDRFNHKSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575890788 949961701 /nfs/dbraw/zinc/96/17/01/949961701.db2.gz ZXNNUMCZLOTTRL-SKDRFNHKSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575891326 950003329 /nfs/dbraw/zinc/00/33/29/950003329.db2.gz HZQJBPYSQSCVRG-SKDRFNHKSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575891326 950003350 /nfs/dbraw/zinc/00/33/50/950003350.db2.gz HZQJBPYSQSCVRG-SKDRFNHKSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575891765 950029033 /nfs/dbraw/zinc/02/90/33/950029033.db2.gz NJDBKVADPRCTFJ-BXKDBHETSA-N -1 3 379.384 0.428 20 30 GCEDHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575891765 950029055 /nfs/dbraw/zinc/02/90/55/950029055.db2.gz NJDBKVADPRCTFJ-BXKDBHETSA-N -1 3 379.384 0.428 20 30 GCEDHM CC(C)C[C@H](CNc1ccnc(C#N)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574159261 950300800 /nfs/dbraw/zinc/30/08/00/950300800.db2.gz VFEZSAUSBIWHGY-GFCCVEGCSA-N -1 3 380.416 0.535 20 30 GCEDHM CC(C)C[C@H](CNc1ccnc(C#N)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574159261 950300818 /nfs/dbraw/zinc/30/08/18/950300818.db2.gz VFEZSAUSBIWHGY-GFCCVEGCSA-N -1 3 380.416 0.535 20 30 GCEDHM C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576218326 950785881 /nfs/dbraw/zinc/78/58/81/950785881.db2.gz QSJOFRXXXKBDOM-OCCSQVGLSA-N -1 3 381.440 0.823 20 30 GCEDHM C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576218326 950785898 /nfs/dbraw/zinc/78/58/98/950785898.db2.gz QSJOFRXXXKBDOM-OCCSQVGLSA-N -1 3 381.440 0.823 20 30 GCEDHM C[C@@](CNc1ccnc(C#N)n1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575144989 952175781 /nfs/dbraw/zinc/17/57/81/952175781.db2.gz NUFDPKOINQKBAB-KRWDZBQOSA-N -1 3 378.400 0.289 20 30 GCEDHM C[C@@](CNc1ccnc(C#N)n1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575144989 952175785 /nfs/dbraw/zinc/17/57/85/952175785.db2.gz NUFDPKOINQKBAB-KRWDZBQOSA-N -1 3 378.400 0.289 20 30 GCEDHM CN(CCC#N)S(=O)(=O)N1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571123114 952527812 /nfs/dbraw/zinc/52/78/12/952527812.db2.gz PHZQCYCTFPSNDY-UHFFFAOYSA-N -1 3 376.446 0.531 20 30 GCEDHM CN(CCC#N)S(=O)(=O)N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571123114 952527815 /nfs/dbraw/zinc/52/78/15/952527815.db2.gz PHZQCYCTFPSNDY-UHFFFAOYSA-N -1 3 376.446 0.531 20 30 GCEDHM N#Cc1nc(NCCN2CCN(c3ccccc3)CC2)cnc1-c1nnn[n-]1 ZINC001571123698 952532506 /nfs/dbraw/zinc/53/25/06/952532506.db2.gz UHOGVXCCRGPKAP-UHFFFAOYSA-N -1 3 376.428 0.762 20 30 GCEDHM N#Cc1nc(NCCN2CCN(c3ccccc3)CC2)cnc1-c1nn[n-]n1 ZINC001571123698 952532511 /nfs/dbraw/zinc/53/25/11/952532511.db2.gz UHOGVXCCRGPKAP-UHFFFAOYSA-N -1 3 376.428 0.762 20 30 GCEDHM Cc1cc(N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)c(C#N)cn1 ZINC001571127794 952559538 /nfs/dbraw/zinc/55/95/38/952559538.db2.gz NIEMXGYKLMCMAL-QLJPJBMISA-N -1 3 377.412 0.764 20 30 GCEDHM Cc1cc(N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)c(C#N)cn1 ZINC001571127794 952559542 /nfs/dbraw/zinc/55/95/42/952559542.db2.gz NIEMXGYKLMCMAL-QLJPJBMISA-N -1 3 377.412 0.764 20 30 GCEDHM N#Cc1ccc(N2CCC[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001571135750 952607816 /nfs/dbraw/zinc/60/78/16/952607816.db2.gz CPAFGCYPFXRHHA-LLVKDONJSA-N -1 3 378.400 0.503 20 30 GCEDHM N#Cc1ccc(N2CCC[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001571135750 952607821 /nfs/dbraw/zinc/60/78/21/952607821.db2.gz CPAFGCYPFXRHHA-LLVKDONJSA-N -1 3 378.400 0.503 20 30 GCEDHM CCc1nc(C#N)cc(N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571135919 952610237 /nfs/dbraw/zinc/61/02/37/952610237.db2.gz HYPFJCRCWOYBLL-JTQLQIEISA-N -1 3 378.400 0.745 20 30 GCEDHM CCc1nc(C#N)cc(N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571135919 952610239 /nfs/dbraw/zinc/61/02/39/952610239.db2.gz HYPFJCRCWOYBLL-JTQLQIEISA-N -1 3 378.400 0.745 20 30 GCEDHM CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571136096 952612285 /nfs/dbraw/zinc/61/22/85/952612285.db2.gz MKZMQKLHUXCVEJ-LLVKDONJSA-N -1 3 378.400 0.428 20 30 GCEDHM CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571136096 952612287 /nfs/dbraw/zinc/61/22/87/952612287.db2.gz MKZMQKLHUXCVEJ-LLVKDONJSA-N -1 3 378.400 0.428 20 30 GCEDHM N#Cc1nccnc1N1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571136358 952612804 /nfs/dbraw/zinc/61/28/04/952612804.db2.gz ORNMWFDEUHBGIC-LBPRGKRZSA-N -1 3 378.400 0.645 20 30 GCEDHM N#Cc1nccnc1N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571136358 952612806 /nfs/dbraw/zinc/61/28/06/952612806.db2.gz ORNMWFDEUHBGIC-LBPRGKRZSA-N -1 3 378.400 0.645 20 30 GCEDHM CCc1nc(C#N)cc(N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)n1 ZINC001571136157 952613389 /nfs/dbraw/zinc/61/33/89/952613389.db2.gz NKDCNUWPMNNWTD-UHFFFAOYSA-N -1 3 378.400 0.381 20 30 GCEDHM CCc1nc(C#N)cc(N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)n1 ZINC001571136157 952613394 /nfs/dbraw/zinc/61/33/94/952613394.db2.gz NKDCNUWPMNNWTD-UHFFFAOYSA-N -1 3 378.400 0.381 20 30 GCEDHM Cc1cc(C#N)nc(N[C@H]2C[C@@H](C)N(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571136580 952614648 /nfs/dbraw/zinc/61/46/48/952614648.db2.gz RPKUWBZRYSRPEM-MFKMUULPSA-N -1 3 378.400 0.880 20 30 GCEDHM Cc1cc(C#N)nc(N[C@H]2C[C@@H](C)N(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571136580 952614655 /nfs/dbraw/zinc/61/46/55/952614655.db2.gz RPKUWBZRYSRPEM-MFKMUULPSA-N -1 3 378.400 0.880 20 30 GCEDHM Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C)n1 ZINC001571136986 952617123 /nfs/dbraw/zinc/61/71/23/952617123.db2.gz YYENUYWCBYYQJP-LKFCYVNXSA-N -1 3 378.400 0.738 20 30 GCEDHM Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C)n1 ZINC001571136986 952617127 /nfs/dbraw/zinc/61/71/27/952617127.db2.gz YYENUYWCBYYQJP-LKFCYVNXSA-N -1 3 378.400 0.738 20 30 GCEDHM N#Cc1ccccc1OC[C@H](O)CN1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001594631526 956342895 /nfs/dbraw/zinc/34/28/95/956342895.db2.gz DWZWCOHIWNMRHU-NVXWUHKLSA-N -1 3 387.436 0.695 20 30 GCEDHM CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001573989659 961807057 /nfs/dbraw/zinc/80/70/57/961807057.db2.gz LOVRAKCTFOWSLL-KRWDZBQOSA-N -1 3 386.452 0.772 20 30 GCEDHM Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](C)[C@H](C(=O)[O-])C3)CC2)o1 ZINC001605398200 973379757 /nfs/dbraw/zinc/37/97/57/973379757.db2.gz DSDOKQVQAQNJED-GXTWGEPZSA-N -1 3 375.429 0.546 20 30 GCEDHM C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)cc1 ZINC001588847873 984367360 /nfs/dbraw/zinc/36/73/60/984367360.db2.gz PYVURWIHOYWNEW-CQSZACIVSA-N -1 3 381.454 0.239 20 30 GCEDHM C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1C[C@H](C(=O)OC)[C@H](C(=O)[O-])C1 ZINC001588909817 984545908 /nfs/dbraw/zinc/54/59/08/984545908.db2.gz AZBBHLGMEHOWFW-MCIONIFRSA-N -1 3 377.445 0.583 20 30 GCEDHM C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)cc1 ZINC001589334382 986200891 /nfs/dbraw/zinc/20/08/91/986200891.db2.gz CHWAORABQDHEFG-QWHCGFSZSA-N -1 3 394.453 0.852 20 30 GCEDHM CSC[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N ZINC000583945474 530116806 /nfs/dbraw/zinc/11/68/06/530116806.db2.gz WVYHVBRVYZEVHW-LLVKDONJSA-N -1 3 377.513 0.860 20 30 GCEDHM N#CCNC(=O)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000557783441 530200372 /nfs/dbraw/zinc/20/03/72/530200372.db2.gz XAKMPKCDQMDKSL-UHFFFAOYSA-N -1 3 382.423 0.189 20 30 GCEDHM C=CCN(C(=O)C[N-]S(=O)(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000299145612 530176696 /nfs/dbraw/zinc/17/66/96/530176696.db2.gz JEOAXOGHEAZISW-NSHDSACASA-N -1 3 378.497 0.228 20 30 GCEDHM C[C@H](O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C(C)(C)C#N ZINC000518217652 530225816 /nfs/dbraw/zinc/22/58/16/530225816.db2.gz TYYQNZFKDSMFSG-NSHDSACASA-N -1 3 375.472 0.268 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)[N-][C@@H]2CCN(c3cccc(Cl)c3)C2=O)CCO1 ZINC000409507707 530229791 /nfs/dbraw/zinc/22/97/91/530229791.db2.gz BBJJXZOPWPIJLX-UONOGXRCSA-N -1 3 384.845 0.504 20 30 GCEDHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C#N ZINC000569470488 530236367 /nfs/dbraw/zinc/23/63/67/530236367.db2.gz CWRCDCVWQWVALV-SWLSCSKDSA-N -1 3 389.499 0.658 20 30 GCEDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)[C@H](C)C#N)C1 ZINC000600760018 530241885 /nfs/dbraw/zinc/24/18/85/530241885.db2.gz GXKHCUCEEGSCAS-JHJVBQTASA-N -1 3 387.483 0.675 20 30 GCEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-][C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000285194140 530219608 /nfs/dbraw/zinc/21/96/08/530219608.db2.gz VRIYRVYSIRPGQP-GFCCVEGCSA-N -1 3 399.416 0.967 20 30 GCEDHM N#C[C@@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000268084322 530221220 /nfs/dbraw/zinc/22/12/20/530221220.db2.gz JHKJGYCHNHBQEO-MRVPVSSYSA-N -1 3 394.272 0.540 20 30 GCEDHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@H](C#N)C(C)(C)C)s1 ZINC000427491972 530276685 /nfs/dbraw/zinc/27/66/85/530276685.db2.gz CRRRLLOBPLCTCU-GFCCVEGCSA-N -1 3 386.499 0.717 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCSC1 ZINC000566488236 530278469 /nfs/dbraw/zinc/27/84/69/530278469.db2.gz PNUSHENHZFUQRD-WDEREUQCSA-N -1 3 375.497 0.661 20 30 GCEDHM N#CC1(CS(=O)(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000564404795 530253983 /nfs/dbraw/zinc/25/39/83/530253983.db2.gz DENBFZDZGWVCFR-UHFFFAOYSA-N -1 3 395.865 0.981 20 30 GCEDHM CCS(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000263705790 530255350 /nfs/dbraw/zinc/25/53/50/530255350.db2.gz SDHSZACFKUFKCS-UHFFFAOYSA-N -1 3 385.389 0.795 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC(=O)N1CCOCC1 ZINC000287639436 530257199 /nfs/dbraw/zinc/25/71/99/530257199.db2.gz BVLXJMFFTZLEMA-UHFFFAOYSA-N -1 3 388.243 0.458 20 30 GCEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H]1CN2CCN1CC2 ZINC000287788426 530257727 /nfs/dbraw/zinc/25/77/27/530257727.db2.gz KZGZAFUOKGCKCA-NSHDSACASA-N -1 3 385.287 0.599 20 30 GCEDHM C=CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000142136155 530301596 /nfs/dbraw/zinc/30/15/96/530301596.db2.gz GVZNGZSOGAIGAT-NWDGAFQWSA-N -1 3 392.524 0.617 20 30 GCEDHM CC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N)C(C)(C)O ZINC000570826538 530326316 /nfs/dbraw/zinc/32/63/16/530326316.db2.gz GBVKWIFIXXBGDR-ZDUSSCGKSA-N -1 3 375.472 0.316 20 30 GCEDHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@](O)(CC#N)C2)cc1F ZINC000592077112 530413009 /nfs/dbraw/zinc/41/30/09/530413009.db2.gz BUEFFVNZDBHXSF-ZDUSSCGKSA-N -1 3 377.419 0.236 20 30 GCEDHM COC(=O)CC[C@H]([N-]S(=O)(=O)N(C)C[C@H](C)C#N)C(=O)OC(C)(C)C ZINC000593615142 530423135 /nfs/dbraw/zinc/42/31/35/530423135.db2.gz LGZGBKJAEPYHDE-NEPJUHHUSA-N -1 3 377.463 0.576 20 30 GCEDHM COC(=O)CC[C@H]([N-]S(=O)(=O)N(C)[C@H](C)CC#N)C(=O)OC(C)(C)C ZINC000593615138 530423171 /nfs/dbraw/zinc/42/31/71/530423171.db2.gz LDTYBVASUCJDBO-NEPJUHHUSA-N -1 3 377.463 0.718 20 30 GCEDHM CSc1ccncc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(C#N)C1 ZINC000594638761 530433194 /nfs/dbraw/zinc/43/31/94/530433194.db2.gz AJAFDPUXNGMFQR-UHFFFAOYSA-N -1 3 390.512 0.720 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1(CO)CC1 ZINC000594634027 530435811 /nfs/dbraw/zinc/43/58/11/530435811.db2.gz GYCOFLANCKXSTC-GFCCVEGCSA-N -1 3 387.483 0.270 20 30 GCEDHM C[C@H](CO)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C(C)(C)C#N ZINC000594634157 530435848 /nfs/dbraw/zinc/43/58/48/530435848.db2.gz LUSZSFKNMVMPJF-LLVKDONJSA-N -1 3 375.472 0.268 20 30 GCEDHM CC[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCOC1 ZINC000594634133 530435923 /nfs/dbraw/zinc/43/59/23/530435923.db2.gz KLUILPIFZGPJBM-STQMWFEESA-N -1 3 387.483 0.676 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCC1(O)CCC1 ZINC000594633916 530435936 /nfs/dbraw/zinc/43/59/36/530435936.db2.gz XQKVNZFCAMDBKH-UHFFFAOYSA-N -1 3 387.483 0.414 20 30 GCEDHM CC[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)CO ZINC000594634408 530436115 /nfs/dbraw/zinc/43/61/15/530436115.db2.gz PTJXGFFOIDIVQT-NWDGAFQWSA-N -1 3 375.472 0.268 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](CO)C(C)(C)C ZINC000594634477 530436190 /nfs/dbraw/zinc/43/61/90/530436190.db2.gz RXOURVSZUASUQP-SMDDNHRTSA-N -1 3 389.499 0.562 20 30 GCEDHM C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N)[C@@H]1CCCCO1 ZINC000594635429 530436510 /nfs/dbraw/zinc/43/65/10/530436510.db2.gz XGJWOCMIPMWJEN-OLZOCXBDSA-N -1 3 387.483 0.724 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCCS(=O)(=O)N1CC=CCC1 ZINC000594637978 530437575 /nfs/dbraw/zinc/43/75/75/530437575.db2.gz AQXOGLCEEZMKPX-OAHLLOKOSA-N -1 3 375.516 0.970 20 30 GCEDHM CC[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H](C)O ZINC000594633246 530434886 /nfs/dbraw/zinc/43/48/86/530434886.db2.gz AQTFILXJVFQUEE-NEPJUHHUSA-N -1 3 375.472 0.268 20 30 GCEDHM CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CCOCC1 ZINC000594633395 530434935 /nfs/dbraw/zinc/43/49/35/530434935.db2.gz IHMCKRODIKENQP-UHFFFAOYSA-N -1 3 387.483 0.678 20 30 GCEDHM CCC1(NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CCOCC1 ZINC000594633712 530435201 /nfs/dbraw/zinc/43/52/01/530435201.db2.gz BASHIDOEZOEYAY-UHFFFAOYSA-N -1 3 387.483 0.726 20 30 GCEDHM C[C@H](CO)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C#N ZINC000594633608 530435277 /nfs/dbraw/zinc/43/52/77/530435277.db2.gz XQIRLFRDPPQCOL-RYUDHWBXSA-N -1 3 375.472 0.126 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCN1CCC1 ZINC000518796144 530494869 /nfs/dbraw/zinc/49/48/69/530494869.db2.gz TZRBIQCYFKIDFP-ZDUSSCGKSA-N -1 3 386.499 0.203 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCCO1 ZINC000570985584 530515078 /nfs/dbraw/zinc/51/50/78/530515078.db2.gz KSLWTDKFZNWHIJ-STQMWFEESA-N -1 3 387.483 0.724 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCS[C@@H]2COCC[C@@H]21 ZINC000366390286 530520352 /nfs/dbraw/zinc/52/03/52/530520352.db2.gz VPBSJIYMIXTJRX-QWHCGFSZSA-N -1 3 381.479 0.458 20 30 GCEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(C)(C#N)C1 ZINC000563430128 530525916 /nfs/dbraw/zinc/52/59/16/530525916.db2.gz ZHMVTTGLLMZOPT-UHFFFAOYSA-N -1 3 382.467 0.801 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CO[C@H](C)C1 ZINC000563429823 530525929 /nfs/dbraw/zinc/52/59/29/530525929.db2.gz FVUMRMRGXPLNNM-XQQFMLRXSA-N -1 3 387.483 0.675 20 30 GCEDHM N#CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCCS1 ZINC000563432034 530525993 /nfs/dbraw/zinc/52/59/93/530525993.db2.gz WPTHHWACWQISMR-NSHDSACASA-N -1 3 375.497 0.662 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC1(O)CCC1 ZINC000563432453 530526013 /nfs/dbraw/zinc/52/60/13/530526013.db2.gz OPJFPYXROODVNW-GFCCVEGCSA-N -1 3 387.483 0.412 20 30 GCEDHM CC#CC[C@H](CO)NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000645381476 530550065 /nfs/dbraw/zinc/55/00/65/530550065.db2.gz FZWZPPXCGCOZLC-SNVBAGLBSA-N -1 3 379.891 0.753 20 30 GCEDHM CC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N)[C@@H]1CCCO1 ZINC000566489052 530530657 /nfs/dbraw/zinc/53/06/57/530530657.db2.gz SXOAZZRFKXJAGU-STQMWFEESA-N -1 3 387.483 0.724 20 30 GCEDHM CC(C)[C@@H](CO)NS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000566488325 530530667 /nfs/dbraw/zinc/53/06/67/530530667.db2.gz ZPDPIJPOYSMKKN-NWDGAFQWSA-N -1 3 375.472 0.172 20 30 GCEDHM COCCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000566488393 530530741 /nfs/dbraw/zinc/53/07/41/530530741.db2.gz YXBZFQPNOMRWCI-OAHLLOKOSA-N -1 3 387.483 0.582 20 30 GCEDHM CC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N)[C@@H]1CCCO1 ZINC000566489050 530530885 /nfs/dbraw/zinc/53/08/85/530530885.db2.gz SXOAZZRFKXJAGU-OLZOCXBDSA-N -1 3 387.483 0.724 20 30 GCEDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)CCO1 ZINC000566747726 530534203 /nfs/dbraw/zinc/53/42/03/530534203.db2.gz JCEOQCWUVVULEF-OLZOCXBDSA-N -1 3 387.483 0.676 20 30 GCEDHM C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H](O)C(F)F ZINC000567916216 530550452 /nfs/dbraw/zinc/55/04/52/530550452.db2.gz MZXFWJSEYREMQI-ZJUUUORDSA-N -1 3 397.425 0.123 20 30 GCEDHM C=CCC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)F)cc1 ZINC000568252313 530555690 /nfs/dbraw/zinc/55/56/90/530555690.db2.gz OGHZPEUFJFIPLT-NSHDSACASA-N -1 3 398.453 0.835 20 30 GCEDHM C=C[C@@H](CO)NC(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000290692072 530564563 /nfs/dbraw/zinc/56/45/63/530564563.db2.gz VAAABKOQWDMQMO-WCQYABFASA-N -1 3 376.475 0.889 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000568882427 530564678 /nfs/dbraw/zinc/56/46/78/530564678.db2.gz XSNJLOPZBJUFCJ-RWMBFGLXSA-N -1 3 387.483 0.580 20 30 GCEDHM C[C@@H]1C[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2(C#N)CC2)CO1 ZINC000569001697 530566012 /nfs/dbraw/zinc/56/60/12/530566012.db2.gz ICDJELGXWCSDCJ-NEPJUHHUSA-N -1 3 385.467 0.477 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCS(=O)(=O)[C@H]2C)ccc1F ZINC000293829281 530567217 /nfs/dbraw/zinc/56/72/17/530567217.db2.gz SHYBGNWIBGSKFO-GWCFXTLKSA-N -1 3 390.458 0.595 20 30 GCEDHM COC1(CNS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CCCC1 ZINC000569239265 530568983 /nfs/dbraw/zinc/56/89/83/530568983.db2.gz VPYXVWBVBTYPIE-UHFFFAOYSA-N -1 3 387.483 0.726 20 30 GCEDHM C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H](C)N(C)C ZINC000573507293 530581151 /nfs/dbraw/zinc/58/11/51/530581151.db2.gz XLRJXUMDXONVLD-STQMWFEESA-N -1 3 388.515 0.448 20 30 GCEDHM CC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1)[C@H](C)O ZINC000519710818 530599822 /nfs/dbraw/zinc/59/98/22/530599822.db2.gz NJLFVJILKOWQRT-NWDGAFQWSA-N -1 3 387.483 0.459 20 30 GCEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](C)C#N ZINC000576597930 530610173 /nfs/dbraw/zinc/61/01/73/530610173.db2.gz BMPHHVGVAZZAKH-STQMWFEESA-N -1 3 384.483 0.951 20 30 GCEDHM N#CC1(CS(=O)(=O)[N-]CCS(=O)(=O)N2CCSCC2)CCCC1 ZINC000329543001 530614121 /nfs/dbraw/zinc/61/41/21/530614121.db2.gz YCAOXVQIDXNATG-UHFFFAOYSA-N -1 3 381.545 0.368 20 30 GCEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(C)(O)C1 ZINC000349444895 530635945 /nfs/dbraw/zinc/63/59/45/530635945.db2.gz AXMLCKALYWVKSA-GFCCVEGCSA-N -1 3 387.483 0.412 20 30 GCEDHM C[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C#N)CC1 ZINC000349447014 530636064 /nfs/dbraw/zinc/63/60/64/530636064.db2.gz IDQSRLAWTFBPAP-NWDGAFQWSA-N -1 3 385.467 0.165 20 30 GCEDHM CC[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-][C@@H](C)C#N)C[C@@H]1O ZINC000349450714 530636145 /nfs/dbraw/zinc/63/61/45/530636145.db2.gz MFPPGCGAWVGEPQ-AVGNSLFASA-N -1 3 387.483 0.268 20 30 GCEDHM C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000349459760 530639193 /nfs/dbraw/zinc/63/91/93/530639193.db2.gz HTCPHLCJNWJCEW-KGLIPLIRSA-N -1 3 393.531 0.307 20 30 GCEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@](C)(F)C1 ZINC000349461620 530640267 /nfs/dbraw/zinc/64/02/67/530640267.db2.gz KGFUHTWLRFJCJW-TZMCWYRMSA-N -1 3 383.511 0.998 20 30 GCEDHM CN(C(C)(C)C#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CC[C@H]1O ZINC000349464120 530641743 /nfs/dbraw/zinc/64/17/43/530641743.db2.gz CEPSPZAVPUHJKF-VXGBXAGGSA-N -1 3 387.483 0.411 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000349466892 530642788 /nfs/dbraw/zinc/64/27/88/530642788.db2.gz RGSLRIUKRPDAGC-RRFJBIMHSA-N -1 3 394.563 0.198 20 30 GCEDHM CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CO[C@@H](C)C1 ZINC000577124631 530616691 /nfs/dbraw/zinc/61/66/91/530616691.db2.gz GTTHYFOFGSZNPK-STQMWFEESA-N -1 3 387.483 0.676 20 30 GCEDHM N#CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CCSCC2)CC1 ZINC000349469340 530643474 /nfs/dbraw/zinc/64/34/74/530643474.db2.gz KHQRQWXYPZZNAN-UHFFFAOYSA-N -1 3 387.508 0.759 20 30 GCEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CC[C@H]1O ZINC000349472832 530645301 /nfs/dbraw/zinc/64/53/01/530645301.db2.gz RCCLRISKWUZFQK-YNEHKIRRSA-N -1 3 387.483 0.459 20 30 GCEDHM CC1(C#N)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cncc(F)c2)C1 ZINC000349473481 530645780 /nfs/dbraw/zinc/64/57/80/530645780.db2.gz IGNFNQNJJQXONY-UHFFFAOYSA-N -1 3 376.435 0.528 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CC[C@H]1O ZINC000349474461 530646531 /nfs/dbraw/zinc/64/65/31/530646531.db2.gz VLIMTOSKQIHERD-JHJVBQTASA-N -1 3 387.483 0.315 20 30 GCEDHM CN(CCO)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000349475986 530646903 /nfs/dbraw/zinc/64/69/03/530646903.db2.gz ZDTQGZXJPXAJAZ-HNNXBMFYSA-N -1 3 387.483 0.270 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC(C)(C)CO ZINC000349476919 530647628 /nfs/dbraw/zinc/64/76/28/530647628.db2.gz DNMFEKCKVIZWET-LBPRGKRZSA-N -1 3 389.499 0.516 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C(C)(C)O ZINC000349478022 530648291 /nfs/dbraw/zinc/64/82/91/530648291.db2.gz GLAMVNAUZBZWQA-RYUDHWBXSA-N -1 3 389.499 0.657 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@](C)(O)CC1 ZINC000349478803 530648350 /nfs/dbraw/zinc/64/83/50/530648350.db2.gz SPGFUAGJTMZNNP-HUUCEWRRSA-N -1 3 395.547 0.411 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000349480616 530649422 /nfs/dbraw/zinc/64/94/22/530649422.db2.gz KTSMZFXQNVOTFO-AGIUHOORSA-N -1 3 387.483 0.126 20 30 GCEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(OC)C1 ZINC000349483108 530650710 /nfs/dbraw/zinc/65/07/10/530650710.db2.gz VCRKIFWVQTUONF-LBPRGKRZSA-N -1 3 387.483 0.676 20 30 GCEDHM CN(CC1(O)CCCC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349482576 530650769 /nfs/dbraw/zinc/65/07/69/530650769.db2.gz SPYFXCSWWIYCCE-UHFFFAOYSA-N -1 3 387.483 0.414 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@]1(C)CO ZINC000349483168 530650790 /nfs/dbraw/zinc/65/07/90/530650790.db2.gz VPYJDFWCRADNPX-WFASDCNBSA-N -1 3 387.483 0.412 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC(C)(C)O ZINC000349482254 530651073 /nfs/dbraw/zinc/65/10/73/530651073.db2.gz RATQQDBRPQHPDD-LBPRGKRZSA-N -1 3 389.499 0.658 20 30 GCEDHM C[C@@H](O)C[C@@H]1CCCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349485243 530651445 /nfs/dbraw/zinc/65/14/45/530651445.db2.gz ZYPWYQBZMWVYEM-OLZOCXBDSA-N -1 3 387.483 0.412 20 30 GCEDHM CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC#N ZINC000349483508 530651520 /nfs/dbraw/zinc/65/15/20/530651520.db2.gz VYAKNHOMYMQRMH-CHWSQXEVSA-N -1 3 387.483 0.412 20 30 GCEDHM C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000349496305 530657507 /nfs/dbraw/zinc/65/75/07/530657507.db2.gz GXKPWHGGHSZTOP-OCCSQVGLSA-N -1 3 395.572 0.755 20 30 GCEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)C1 ZINC000349498153 530658377 /nfs/dbraw/zinc/65/83/77/530658377.db2.gz BTRROGCOGURZMB-UONOGXRCSA-N -1 3 379.504 0.388 20 30 GCEDHM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)C[C@H]1C ZINC000349508006 530664385 /nfs/dbraw/zinc/66/43/85/530664385.db2.gz YUHIAVMLSBBSFH-NFAWXSAZSA-N -1 3 377.532 0.906 20 30 GCEDHM CC1=CCN(S(=O)(=O)CCCS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)CC1 ZINC000349508375 530665168 /nfs/dbraw/zinc/66/51/68/530665168.db2.gz MLPPZOXYDGNXRV-OAHLLOKOSA-N -1 3 375.516 0.970 20 30 GCEDHM CN([C@@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000349518906 530670514 /nfs/dbraw/zinc/67/05/14/530670514.db2.gz HWZAAXLGZYHANU-OCCSQVGLSA-N -1 3 379.504 0.039 20 30 GCEDHM C[C@H](CC#N)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cncc(F)c1 ZINC000349525107 530673031 /nfs/dbraw/zinc/67/30/31/530673031.db2.gz QPUCUXIBPRKFDQ-LLVKDONJSA-N -1 3 378.451 0.916 20 30 GCEDHM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-][C@H](C#N)C(C)(C)C)CCCO1 ZINC000349527384 530673796 /nfs/dbraw/zinc/67/37/96/530673796.db2.gz VTSIPPFCAUTJHG-ZIAGYGMSSA-N -1 3 395.547 0.675 20 30 GCEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H](O)CC1 ZINC000349526195 530673802 /nfs/dbraw/zinc/67/38/02/530673802.db2.gz PJEWUKSPNUGSTO-ZIAGYGMSSA-N -1 3 381.520 0.021 20 30 GCEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H](O)CC1 ZINC000349529251 530674357 /nfs/dbraw/zinc/67/43/57/530674357.db2.gz VVOATRNBGCOSRM-ZIAGYGMSSA-N -1 3 395.547 0.411 20 30 GCEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)C1 ZINC000349531534 530675795 /nfs/dbraw/zinc/67/57/95/530675795.db2.gz KEBNNVCTAFTWHL-ILXRZTDVSA-N -1 3 393.531 0.165 20 30 GCEDHM N#CC1([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@H]2O)CCCCC1 ZINC000349531917 530675924 /nfs/dbraw/zinc/67/59/24/530675924.db2.gz ABPXPQOWUUVPFA-ZIAGYGMSSA-N -1 3 393.531 0.355 20 30 GCEDHM CN1CCCN(S(=O)(=O)CCCS(=O)(=O)[N-][C@H](C#N)C(C)(C)C)CC1 ZINC000349535265 530678158 /nfs/dbraw/zinc/67/81/58/530678158.db2.gz IUYQIQKLUQZZTM-CQSZACIVSA-N -1 3 394.563 0.201 20 30 GCEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCSC1 ZINC000349547214 530685269 /nfs/dbraw/zinc/68/52/69/530685269.db2.gz CSDURRYRUJRHNS-DGCLKSJQSA-N -1 3 381.545 0.413 20 30 GCEDHM N#CC1([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCSC2)CCCCC1 ZINC000349554986 530690531 /nfs/dbraw/zinc/69/05/31/530690531.db2.gz SOHUMGWHSFVECB-ZDUSSCGKSA-N -1 3 395.572 0.947 20 30 GCEDHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000349569917 530698461 /nfs/dbraw/zinc/69/84/61/530698461.db2.gz CQHMSDONLAQHGC-NWDGAFQWSA-N -1 3 375.476 0.462 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCOCC1 ZINC000349575585 530701770 /nfs/dbraw/zinc/70/17/70/530701770.db2.gz OJGPGPSJIMBZSN-ZFWWWQNUSA-N -1 3 393.531 0.477 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCCS(=O)(=O)N1CCSCC1 ZINC000349591037 530708715 /nfs/dbraw/zinc/70/87/15/530708715.db2.gz MVMOSYNMNLFYIB-AWEZNQCLSA-N -1 3 395.572 0.757 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000349606232 530717240 /nfs/dbraw/zinc/71/72/40/530717240.db2.gz JGDZWGMZXGTGOK-SCRDCRAPSA-N -1 3 399.485 0.700 20 30 GCEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1)C(=O)OC ZINC000481593626 530779344 /nfs/dbraw/zinc/77/93/44/530779344.db2.gz MDAWLVHWHIICNG-LLVKDONJSA-N -1 3 388.833 0.714 20 30 GCEDHM C=CCOC[C@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)C(=O)OC ZINC000481760527 530780837 /nfs/dbraw/zinc/78/08/37/530780837.db2.gz FTNSPJVHELFXPT-MNOVXSKESA-N -1 3 376.456 0.275 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCS(=O)(=O)CC2)ccc1F ZINC000377611505 530827404 /nfs/dbraw/zinc/82/74/04/530827404.db2.gz MBIIOKZNZWUZRJ-UHFFFAOYSA-N -1 3 390.458 0.551 20 30 GCEDHM CN(C)S(=O)(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F ZINC000508070791 530818062 /nfs/dbraw/zinc/81/80/62/530818062.db2.gz YAJCRRTVJYWCIR-NSHDSACASA-N -1 3 385.389 0.659 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]CCS(=O)(=O)NC2CC2)c(C(F)(F)F)c1 ZINC000509984827 530818661 /nfs/dbraw/zinc/81/86/61/530818661.db2.gz JMTYSNMGCGGXQW-UHFFFAOYSA-N -1 3 397.400 0.937 20 30 GCEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1)C(=O)OC ZINC000619506474 530818701 /nfs/dbraw/zinc/81/87/01/530818701.db2.gz LZGSNGTYFQIJLV-CMPLNLGQSA-N -1 3 390.483 0.968 20 30 GCEDHM N#C[C@@]1(F)CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000619671216 530822060 /nfs/dbraw/zinc/82/20/60/530822060.db2.gz VUWPSZXYDZSTBA-AWEZNQCLSA-N -1 3 376.360 0.890 20 30 GCEDHM CS(=O)(=O)N1CCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000513180635 530822564 /nfs/dbraw/zinc/82/25/64/530822564.db2.gz GCMYOOBSHJYDMK-SNVBAGLBSA-N -1 3 377.875 0.914 20 30 GCEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CC[C@H](C(N)=O)O1 ZINC000416426625 530847043 /nfs/dbraw/zinc/84/70/43/530847043.db2.gz KJAQRCBRYAWUNY-GHMZBOCLSA-N -1 3 388.243 0.632 20 30 GCEDHM N#CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N[C@H]2CCSC2)CC1 ZINC000582915161 530856650 /nfs/dbraw/zinc/85/66/50/530856650.db2.gz BRGMNOHXOYBHLR-NSHDSACASA-N -1 3 387.508 0.805 20 30 GCEDHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@](F)(C#N)C2)cn1 ZINC000348342112 530860326 /nfs/dbraw/zinc/86/03/26/530860326.db2.gz JDAXVLYMWAFILB-CYBMUJFWSA-N -1 3 391.450 0.184 20 30 GCEDHM CS(=O)(=O)N1CCC(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000269645395 530866722 /nfs/dbraw/zinc/86/67/22/530866722.db2.gz FYRPRPDHQKZQOK-UHFFFAOYSA-N -1 3 375.447 0.647 20 30 GCEDHM C=CCn1cc(C[N-]S(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)nn1 ZINC000657017446 530867837 /nfs/dbraw/zinc/86/78/37/530867837.db2.gz IXNXGQHGQVAUAS-UHFFFAOYSA-N -1 3 381.483 0.909 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](O)C(C)(C)C1 ZINC000349463423 530872077 /nfs/dbraw/zinc/87/20/77/530872077.db2.gz YKGQTINHZIOTPF-FZMZJTMJSA-N -1 3 387.483 0.268 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](C)[C@H](O)C1 ZINC000349464147 530872538 /nfs/dbraw/zinc/87/25/38/530872538.db2.gz BQIOGCKNDYUQAK-RWMBFGLXSA-N -1 3 387.483 0.268 20 30 GCEDHM COCC1=CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)CC1 ZINC000349446177 530873263 /nfs/dbraw/zinc/87/32/63/530873263.db2.gz GSCLMTKXUKWKOQ-UHFFFAOYSA-N -1 3 385.467 0.456 20 30 GCEDHM Cc1ccc(S(=O)(=O)NCC[N-]S(=O)(=O)c2cccnc2C#N)s1 ZINC000428374471 530897840 /nfs/dbraw/zinc/89/78/40/530897840.db2.gz NEBGBOCQHKHUPH-UHFFFAOYSA-N -1 3 386.480 0.580 20 30 GCEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCC[C@@H]1O ZINC000349592864 530898246 /nfs/dbraw/zinc/89/82/46/530898246.db2.gz OOXAMMXGIKZWCL-YDHLFZDLSA-N -1 3 393.531 0.211 20 30 GCEDHM N#CC1(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)CCCC1 ZINC000349533199 530899441 /nfs/dbraw/zinc/89/94/41/530899441.db2.gz DPASZKDTSCTAML-UHFFFAOYSA-N -1 3 375.476 0.545 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@]23NC(=O)NC3=O)c(Cl)c1 ZINC000378604891 530903881 /nfs/dbraw/zinc/90/38/81/530903881.db2.gz IEKDCHPYQRYGDX-ZUZCIYMTSA-N -1 3 382.829 0.868 20 30 GCEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)C1 ZINC000349557287 530905845 /nfs/dbraw/zinc/90/58/45/530905845.db2.gz YHNCNIYNCORNOO-RBSFLKMASA-N -1 3 393.531 0.477 20 30 GCEDHM CC(C)(C)S(=O)(=O)N1CCC([N-]S(=O)(=O)c2cccnc2C#N)CC1 ZINC000276949820 530911736 /nfs/dbraw/zinc/91/17/36/530911736.db2.gz BNSCCHAVTDOVMD-UHFFFAOYSA-N -1 3 386.499 0.824 20 30 GCEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000508072457 530910317 /nfs/dbraw/zinc/91/03/17/530910317.db2.gz GMUIXHQEWUZXDP-AWEZNQCLSA-N -1 3 375.472 0.534 20 30 GCEDHM C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2(C#N)CC2)C[C@@H]1O ZINC000349482454 530877585 /nfs/dbraw/zinc/87/75/85/530877585.db2.gz RTMMXQWDYPEDOG-NEPJUHHUSA-N -1 3 385.467 0.022 20 30 GCEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(C#N)C1 ZINC000349481851 530877670 /nfs/dbraw/zinc/87/76/70/530877670.db2.gz OVWXTWKWSHXAPW-ZDUSSCGKSA-N -1 3 382.467 0.801 20 30 GCEDHM N#CC1([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](CO)C2)CCCCC1 ZINC000349528881 530879733 /nfs/dbraw/zinc/87/97/33/530879733.db2.gz VGCPPCBKUCURJA-CQSZACIVSA-N -1 3 393.531 0.166 20 30 GCEDHM COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)C1 ZINC000349494476 530880306 /nfs/dbraw/zinc/88/03/06/530880306.db2.gz CQJWEJXLNCURSZ-DZGCQCFKSA-N -1 3 393.531 0.429 20 30 GCEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOC2)C1 ZINC000349496168 530881890 /nfs/dbraw/zinc/88/18/90/530881890.db2.gz AKFPEZNWKVDZAM-GJZGRUSLSA-N -1 3 393.531 0.778 20 30 GCEDHM C[C@H](O)[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-][C@]2(C#N)CC2(C)C)C1 ZINC000349501778 530883099 /nfs/dbraw/zinc/88/30/99/530883099.db2.gz NFCYIKHLDCRRIU-YDHLFZDLSA-N -1 3 393.531 0.021 20 30 GCEDHM CCN(CCC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)S(C)(=O)=O ZINC000443007311 530887905 /nfs/dbraw/zinc/88/79/05/530887905.db2.gz NBXONWPLKZHLME-UHFFFAOYSA-N -1 3 390.443 0.416 20 30 GCEDHM CS(=O)(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000443024754 530888367 /nfs/dbraw/zinc/88/83/67/530888367.db2.gz UUBTWPCJLSPHRR-SNVBAGLBSA-N -1 3 388.427 0.169 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000349465550 530889930 /nfs/dbraw/zinc/88/99/30/530889930.db2.gz DWUGLNPUHOBHGS-UPJWGTAASA-N -1 3 385.467 0.429 20 30 GCEDHM CC[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)C[C@@H]1O ZINC000349466213 530890572 /nfs/dbraw/zinc/89/05/72/530890572.db2.gz QFZWHHUCVOSAJX-VNHYZAJKSA-N -1 3 393.531 0.021 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C1CCOCC1 ZINC000349468239 530890587 /nfs/dbraw/zinc/89/05/87/530890587.db2.gz IGOHKCHLZNZLGY-LBPRGKRZSA-N -1 3 387.483 0.676 20 30 GCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000349467758 530890686 /nfs/dbraw/zinc/89/06/86/530890686.db2.gz HZIIZPVGLIMFCS-LOWDOPEQSA-N -1 3 385.467 0.475 20 30 GCEDHM N#CC1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CC[C@H](CO)C2)CC1 ZINC000349472378 530891767 /nfs/dbraw/zinc/89/17/67/530891767.db2.gz PRKMVYTYGMTAHW-LBPRGKRZSA-N -1 3 385.467 0.024 20 30 GCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](F)C1 ZINC000349474076 530892236 /nfs/dbraw/zinc/89/22/36/530892236.db2.gz UCLVGQMXIPYDAH-RYUDHWBXSA-N -1 3 375.447 1.000 20 30 GCEDHM CN([C@@H]1CCC[C@H]1O)S(=O)(=O)CCCS(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000349525681 530892404 /nfs/dbraw/zinc/89/24/04/530892404.db2.gz PCQABIDIUMMCOM-NFAWXSAZSA-N -1 3 393.531 0.163 20 30 GCEDHM N#CC1([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)CCCCC1 ZINC000349570585 530894057 /nfs/dbraw/zinc/89/40/57/530894057.db2.gz IVDBADMUOGQQCO-ZDUSSCGKSA-N -1 3 379.504 0.231 20 30 GCEDHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC(=O)NCC#N ZINC000511016503 530931709 /nfs/dbraw/zinc/93/17/09/530931709.db2.gz NQFPUJPLEBOXOJ-UHFFFAOYSA-N -1 3 380.195 0.515 20 30 GCEDHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1 ZINC000511036828 530932014 /nfs/dbraw/zinc/93/20/14/530932014.db2.gz WSLSRNXSVXYNJV-UHFFFAOYSA-N -1 3 388.471 0.146 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@]1(C)CCOC1 ZINC000517587270 530961839 /nfs/dbraw/zinc/96/18/39/530961839.db2.gz ATOPPAPHPVFDIY-OAHLLOKOSA-N -1 3 387.483 0.536 20 30 GCEDHM C=CC[C@@H](CO)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)F)cc1 ZINC000572178794 530986335 /nfs/dbraw/zinc/98/63/35/530986335.db2.gz CACQMINYZSWZCZ-LLVKDONJSA-N -1 3 398.453 0.693 20 30 GCEDHM N#Cc1ccc(F)c(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c1 ZINC000174409294 530988250 /nfs/dbraw/zinc/98/82/50/530988250.db2.gz MXIKLMFXAWCDQJ-UHFFFAOYSA-N -1 3 381.161 0.626 20 30 GCEDHM Cc1cc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)N[C@@H](C)C#N)cc2)no1 ZINC000572423542 531005432 /nfs/dbraw/zinc/00/54/32/531005432.db2.gz DFLUHUOBOHMIKL-JTQLQIEISA-N -1 3 384.439 0.652 20 30 GCEDHM CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@]1(C)CCCO1 ZINC000572378773 530998820 /nfs/dbraw/zinc/99/88/20/530998820.db2.gz QPXYBXNKYMQERY-OAHLLOKOSA-N -1 3 387.483 0.678 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]CCN2CCNC(=O)C2)c(C(F)(F)F)c1 ZINC000272650395 531001317 /nfs/dbraw/zinc/00/13/17/531001317.db2.gz FHSJCBAVHLWBLG-UHFFFAOYSA-N -1 3 376.360 0.287 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C)ccc1F ZINC000266069735 531004388 /nfs/dbraw/zinc/00/43/88/531004388.db2.gz WRBNWLIUBWPGDV-LLVKDONJSA-N -1 3 390.458 0.549 20 30 GCEDHM C=CCNC(=O)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC ZINC000551561982 531138158 /nfs/dbraw/zinc/13/81/58/531138158.db2.gz XPXJPSSZQBVEGM-UHFFFAOYSA-N -1 3 389.861 0.631 20 30 GCEDHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C#N ZINC000565902820 531191432 /nfs/dbraw/zinc/19/14/32/531191432.db2.gz BRJVKSADIXMZEN-AVGNSLFASA-N -1 3 389.499 0.921 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1nc(C(=O)OC)ccc1=O ZINC000735426760 598850787 /nfs/dbraw/zinc/85/07/87/598850787.db2.gz VWQLEBVVXHRAKG-UHFFFAOYSA-N -1 3 381.396 0.856 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1nc(C(=O)OC)ccc1=O ZINC000735426760 598850790 /nfs/dbraw/zinc/85/07/90/598850790.db2.gz VWQLEBVVXHRAKG-UHFFFAOYSA-N -1 3 381.396 0.856 20 30 GCEDHM CC[C@](C)(C#N)NC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736314070 598867091 /nfs/dbraw/zinc/86/70/91/598867091.db2.gz QQSHEZRGZVAZED-FZKQIMNGSA-N -1 3 396.411 0.880 20 30 GCEDHM CC[C@](C)(C#N)NC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736314070 598867093 /nfs/dbraw/zinc/86/70/93/598867093.db2.gz QQSHEZRGZVAZED-FZKQIMNGSA-N -1 3 396.411 0.880 20 30 GCEDHM C[C@H](CC#N)OC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000735964091 598880978 /nfs/dbraw/zinc/88/09/78/598880978.db2.gz VGEHRZLQTJHIOF-ZWNOBZJWSA-N -1 3 383.368 0.917 20 30 GCEDHM C[C@H](CC#N)OC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735964091 598880980 /nfs/dbraw/zinc/88/09/80/598880980.db2.gz VGEHRZLQTJHIOF-ZWNOBZJWSA-N -1 3 383.368 0.917 20 30 GCEDHM C[C@@H](C#N)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1-c1nnn[n-]1 ZINC000735505092 598894021 /nfs/dbraw/zinc/89/40/21/598894021.db2.gz SCEUPWMRUHEIPY-JTQLQIEISA-N -1 3 383.391 0.982 20 30 GCEDHM C[C@@H](C#N)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1-c1nn[n-]n1 ZINC000735505092 598894022 /nfs/dbraw/zinc/89/40/22/598894022.db2.gz SCEUPWMRUHEIPY-JTQLQIEISA-N -1 3 383.391 0.982 20 30 GCEDHM C=C(COC(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC ZINC000735402319 598921320 /nfs/dbraw/zinc/92/13/20/598921320.db2.gz QQHYFQJWFNDNAK-UHFFFAOYSA-N -1 3 394.409 0.444 20 30 GCEDHM C=C(COC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC ZINC000735402319 598921322 /nfs/dbraw/zinc/92/13/22/598921322.db2.gz QQHYFQJWFNDNAK-UHFFFAOYSA-N -1 3 394.409 0.444 20 30 GCEDHM N#Cc1cc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)ccc1-c1nnn[n-]1 ZINC000737708591 598925487 /nfs/dbraw/zinc/92/54/87/598925487.db2.gz HJFBLLCTBZCOLI-UHFFFAOYSA-N -1 3 388.347 0.793 20 30 GCEDHM N#Cc1cc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)ccc1-c1nn[n-]n1 ZINC000737708591 598925488 /nfs/dbraw/zinc/92/54/88/598925488.db2.gz HJFBLLCTBZCOLI-UHFFFAOYSA-N -1 3 388.347 0.793 20 30 GCEDHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000735552195 598926245 /nfs/dbraw/zinc/92/62/45/598926245.db2.gz VRILYTUKYPQWTO-SNVBAGLBSA-N -1 3 394.395 0.930 20 30 GCEDHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000735552195 598926246 /nfs/dbraw/zinc/92/62/46/598926246.db2.gz VRILYTUKYPQWTO-SNVBAGLBSA-N -1 3 394.395 0.930 20 30 GCEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000735561388 598926529 /nfs/dbraw/zinc/92/65/29/598926529.db2.gz YDYFOLQSYFCMIP-SNVBAGLBSA-N -1 3 394.395 0.930 20 30 GCEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000735561388 598926530 /nfs/dbraw/zinc/92/65/30/598926530.db2.gz YDYFOLQSYFCMIP-SNVBAGLBSA-N -1 3 394.395 0.930 20 30 GCEDHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737201186 598928074 /nfs/dbraw/zinc/92/80/74/598928074.db2.gz DHRYIEDRHORYNP-UHFFFAOYSA-N -1 3 375.352 0.564 20 30 GCEDHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737201186 598928076 /nfs/dbraw/zinc/92/80/76/598928076.db2.gz DHRYIEDRHORYNP-UHFFFAOYSA-N -1 3 375.352 0.564 20 30 GCEDHM C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000735382295 599001349 /nfs/dbraw/zinc/00/13/49/599001349.db2.gz XQNMHZQUSOWKFO-UHFFFAOYSA-N -1 3 388.453 0.325 20 30 GCEDHM C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000735382295 599001351 /nfs/dbraw/zinc/00/13/51/599001351.db2.gz XQNMHZQUSOWKFO-UHFFFAOYSA-N -1 3 388.453 0.325 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737845930 599057308 /nfs/dbraw/zinc/05/73/08/599057308.db2.gz BQAAQFDUIWSHQO-FBMGVBCBSA-N -1 3 398.379 0.705 20 30 GCEDHM N#Cc1ccc([C@H](C(N)=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cc1 ZINC000737712848 599068466 /nfs/dbraw/zinc/06/84/66/599068466.db2.gz WDFRSUIBHUNGGQ-MRXNPFEDSA-N -1 3 389.423 0.482 20 30 GCEDHM N#Cc1ccc([C@H](C(N)=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cc1 ZINC000737712848 599068468 /nfs/dbraw/zinc/06/84/68/599068468.db2.gz WDFRSUIBHUNGGQ-MRXNPFEDSA-N -1 3 389.423 0.482 20 30 GCEDHM C#CCCCNC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000819692732 599192298 /nfs/dbraw/zinc/19/22/98/599192298.db2.gz ISSXNDFYXVRJOV-CQSZACIVSA-N -1 3 381.396 0.601 20 30 GCEDHM C#CCCCNC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000819692732 599192300 /nfs/dbraw/zinc/19/23/00/599192300.db2.gz ISSXNDFYXVRJOV-CQSZACIVSA-N -1 3 381.396 0.601 20 30 GCEDHM CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000736658877 599196774 /nfs/dbraw/zinc/19/67/74/599196774.db2.gz LSIBLUSLOKJWHP-NSHDSACASA-N -1 3 389.441 0.739 20 30 GCEDHM CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000736658877 599196776 /nfs/dbraw/zinc/19/67/76/599196776.db2.gz LSIBLUSLOKJWHP-NSHDSACASA-N -1 3 389.441 0.739 20 30 GCEDHM C=CCN(C(=O)c1ncc(-c2nnn[n-]2)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000819739750 607263458 /nfs/dbraw/zinc/26/34/58/607263458.db2.gz GCAMRUHGLRGSBN-SNVBAGLBSA-N -1 3 382.833 0.730 20 30 GCEDHM C=CCN(C(=O)c1ncc(-c2nn[n-]n2)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000819739750 607263459 /nfs/dbraw/zinc/26/34/59/607263459.db2.gz GCAMRUHGLRGSBN-SNVBAGLBSA-N -1 3 382.833 0.730 20 30 GCEDHM N#CCCn1ccc(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)n1 ZINC000737695986 599265914 /nfs/dbraw/zinc/26/59/14/599265914.db2.gz YJYSLSOUXLUOTE-UHFFFAOYSA-N -1 3 389.383 0.997 20 30 GCEDHM N#CCCn1ccc(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)n1 ZINC000737695986 599265915 /nfs/dbraw/zinc/26/59/15/599265915.db2.gz YJYSLSOUXLUOTE-UHFFFAOYSA-N -1 3 389.383 0.997 20 30 GCEDHM N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)nc1 ZINC000822830261 607333619 /nfs/dbraw/zinc/33/36/19/607333619.db2.gz ZPZIAGQVQJWICX-UHFFFAOYSA-N -1 3 395.358 0.439 20 30 GCEDHM N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)nc1 ZINC000822830261 607333620 /nfs/dbraw/zinc/33/36/20/607333620.db2.gz ZPZIAGQVQJWICX-UHFFFAOYSA-N -1 3 395.358 0.439 20 30 GCEDHM N#Cc1ccc(NC(=O)C(=O)NCCNc2ncccc2-c2nnn[n-]2)c(F)c1 ZINC000822830056 607336197 /nfs/dbraw/zinc/33/61/97/607336197.db2.gz SZCZEKCNFMKYHA-UHFFFAOYSA-N -1 3 395.358 0.439 20 30 GCEDHM N#Cc1ccc(NC(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)c(F)c1 ZINC000822830056 607336199 /nfs/dbraw/zinc/33/61/99/607336199.db2.gz SZCZEKCNFMKYHA-UHFFFAOYSA-N -1 3 395.358 0.439 20 30 GCEDHM C[C@@](C#N)(NC(=O)CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1)C1CC1 ZINC000735504599 598255850 /nfs/dbraw/zinc/25/58/50/598255850.db2.gz PHUUACGOWLBMPM-IBGZPJMESA-N -1 3 398.446 0.936 20 30 GCEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)C(=O)NC(=O)NC(C)(C)C ZINC000736192309 598273448 /nfs/dbraw/zinc/27/34/48/598273448.db2.gz LJPOGVGFZJVIDQ-SSDOTTSWSA-N -1 3 389.445 0.820 20 30 GCEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)C(=O)NC(=O)NC(C)(C)C ZINC000736192309 598273449 /nfs/dbraw/zinc/27/34/49/598273449.db2.gz LJPOGVGFZJVIDQ-SSDOTTSWSA-N -1 3 389.445 0.820 20 30 GCEDHM N#CCn1c(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc2ccccc21 ZINC000737706767 598295909 /nfs/dbraw/zinc/29/59/09/598295909.db2.gz ZMPFPFXYJZMIPK-UHFFFAOYSA-N -1 3 377.368 0.981 20 30 GCEDHM N#CCn1c(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc2ccccc21 ZINC000737706767 598295912 /nfs/dbraw/zinc/29/59/12/598295912.db2.gz ZMPFPFXYJZMIPK-UHFFFAOYSA-N -1 3 377.368 0.981 20 30 GCEDHM C=CCCC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735409274 598325175 /nfs/dbraw/zinc/32/51/75/598325175.db2.gz XJZFLOWPKFVSKV-UHFFFAOYSA-N -1 3 376.442 0.666 20 30 GCEDHM C=CCCC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735409274 598325177 /nfs/dbraw/zinc/32/51/77/598325177.db2.gz XJZFLOWPKFVSKV-UHFFFAOYSA-N -1 3 376.442 0.666 20 30 GCEDHM C#CCNC(=O)COC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735381774 598360166 /nfs/dbraw/zinc/36/01/66/598360166.db2.gz QTWRHMYZRPJXCQ-UHFFFAOYSA-N -1 3 381.348 0.945 20 30 GCEDHM C#CCNC(=O)COC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735381774 598360168 /nfs/dbraw/zinc/36/01/68/598360168.db2.gz QTWRHMYZRPJXCQ-UHFFFAOYSA-N -1 3 381.348 0.945 20 30 GCEDHM N#Cc1nc(N)n(Cc2nc(-c3ccc4c(c3)OCO4)no2)c1-c1nnn[n-]1 ZINC000737728630 598364167 /nfs/dbraw/zinc/36/41/67/598364167.db2.gz RWBZHJSQRUJLTI-UHFFFAOYSA-N -1 3 378.312 0.344 20 30 GCEDHM N#Cc1nc(N)n(Cc2nc(-c3ccc4c(c3)OCO4)no2)c1-c1nn[n-]n1 ZINC000737728630 598364169 /nfs/dbraw/zinc/36/41/69/598364169.db2.gz RWBZHJSQRUJLTI-UHFFFAOYSA-N -1 3 378.312 0.344 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)CCO1 ZINC000737685259 598370211 /nfs/dbraw/zinc/37/02/11/598370211.db2.gz SIQGDZYLLQFRDI-VIFPVBQESA-N -1 3 388.331 0.799 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCO1 ZINC000737685259 598370213 /nfs/dbraw/zinc/37/02/13/598370213.db2.gz SIQGDZYLLQFRDI-VIFPVBQESA-N -1 3 388.331 0.799 20 30 GCEDHM C=CCNC(=S)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735432095 598431099 /nfs/dbraw/zinc/43/10/99/598431099.db2.gz MGZXZVTYWDQDRA-UHFFFAOYSA-N -1 3 393.498 0.234 20 30 GCEDHM C=CCNC(=S)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735432095 598431100 /nfs/dbraw/zinc/43/11/00/598431100.db2.gz MGZXZVTYWDQDRA-UHFFFAOYSA-N -1 3 393.498 0.234 20 30 GCEDHM N#CC(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1-c1nnn[n-]1 ZINC000737672010 598456356 /nfs/dbraw/zinc/45/63/56/598456356.db2.gz KUVMIDWFZMEPPS-UHFFFAOYSA-N -1 3 387.384 0.699 20 30 GCEDHM N#CC(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1-c1nn[n-]n1 ZINC000737672010 598456357 /nfs/dbraw/zinc/45/63/57/598456357.db2.gz KUVMIDWFZMEPPS-UHFFFAOYSA-N -1 3 387.384 0.699 20 30 GCEDHM N#CC1(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)CCOCC1 ZINC000737675742 598582035 /nfs/dbraw/zinc/58/20/35/598582035.db2.gz RGXYUTBHMYYTRX-UHFFFAOYSA-N -1 3 381.440 0.831 20 30 GCEDHM N#CC1(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)CCOCC1 ZINC000737675742 598582037 /nfs/dbraw/zinc/58/20/37/598582037.db2.gz RGXYUTBHMYYTRX-UHFFFAOYSA-N -1 3 381.440 0.831 20 30 GCEDHM C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000735381886 598692330 /nfs/dbraw/zinc/69/23/30/598692330.db2.gz RORWTNMWNWSVRJ-UHFFFAOYSA-N -1 3 392.416 0.156 20 30 GCEDHM CC(C)[C@H](C#N)N1CCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735690751 598701230 /nfs/dbraw/zinc/70/12/30/598701230.db2.gz MPGCNBGGAZUXNH-KRWDZBQOSA-N -1 3 382.472 0.649 20 30 GCEDHM CC(C)[C@H](C#N)N1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735690751 598701232 /nfs/dbraw/zinc/70/12/32/598701232.db2.gz MPGCNBGGAZUXNH-KRWDZBQOSA-N -1 3 382.472 0.649 20 30 GCEDHM N#CCNC(=O)COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737694092 598726492 /nfs/dbraw/zinc/72/64/92/598726492.db2.gz AXUPLCLLNXBTIQ-UHFFFAOYSA-N -1 3 379.336 0.851 20 30 GCEDHM N#CCNC(=O)COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737694092 598726494 /nfs/dbraw/zinc/72/64/94/598726494.db2.gz AXUPLCLLNXBTIQ-UHFFFAOYSA-N -1 3 379.336 0.851 20 30 GCEDHM O=C(NCCNC(=O)C1N=CC=CC1=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738074150 598731210 /nfs/dbraw/zinc/73/12/10/598731210.db2.gz GZTQQXJRKYAUGH-FYWRMAATSA-N -1 3 386.347 0.654 20 30 GCEDHM O=C(NCCNC(=O)C1N=CC=CC1=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738074150 598731211 /nfs/dbraw/zinc/73/12/11/598731211.db2.gz GZTQQXJRKYAUGH-FYWRMAATSA-N -1 3 386.347 0.654 20 30 GCEDHM N#C[C@H]1CN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)CCN1C1CC1 ZINC000737680301 598761062 /nfs/dbraw/zinc/76/10/62/598761062.db2.gz ZSFZKACSEQOYNB-ZDUSSCGKSA-N -1 3 382.432 0.055 20 30 GCEDHM N#C[C@H]1CN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)CCN1C1CC1 ZINC000737680301 598761064 /nfs/dbraw/zinc/76/10/64/598761064.db2.gz ZSFZKACSEQOYNB-ZDUSSCGKSA-N -1 3 382.432 0.055 20 30 GCEDHM N#CCCCS(=O)(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737687894 598813161 /nfs/dbraw/zinc/81/31/61/598813161.db2.gz WQVURWDHJDQNCI-UHFFFAOYSA-N -1 3 375.458 0.618 20 30 GCEDHM N#CCCCS(=O)(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737687894 598813163 /nfs/dbraw/zinc/81/31/63/598813163.db2.gz WQVURWDHJDQNCI-UHFFFAOYSA-N -1 3 375.458 0.618 20 30 GCEDHM Cn1c(=O)c(C#N)c(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)n(C)c1=O ZINC000737592263 598815529 /nfs/dbraw/zinc/81/55/29/598815529.db2.gz MTSDYERYFWUINY-UHFFFAOYSA-N -1 3 378.396 0.305 20 30 GCEDHM Cn1c(=O)c(C#N)c(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)n(C)c1=O ZINC000737592263 598815530 /nfs/dbraw/zinc/81/55/30/598815530.db2.gz MTSDYERYFWUINY-UHFFFAOYSA-N -1 3 378.396 0.305 20 30 GCEDHM C#CCN(C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000735374254 598818102 /nfs/dbraw/zinc/81/81/02/598818102.db2.gz GARCJVDIIAFYKV-JSGCOSHPSA-N -1 3 389.437 0.283 20 30 GCEDHM C#CCN(C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000735374252 598818278 /nfs/dbraw/zinc/81/82/78/598818278.db2.gz GARCJVDIIAFYKV-GXTWGEPZSA-N -1 3 389.437 0.283 20 30 GCEDHM N#C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CCN1C1CC1 ZINC000822806455 599345836 /nfs/dbraw/zinc/34/58/36/599345836.db2.gz NGLZASDTHGVFEK-LBPRGKRZSA-N -1 3 393.860 0.881 20 30 GCEDHM C#CCN1CCN(C(=O)CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CC1 ZINC000819701818 607371905 /nfs/dbraw/zinc/37/19/05/607371905.db2.gz OFBKMUCPRXHGQN-UHFFFAOYSA-N -1 3 383.456 0.843 20 30 GCEDHM C#CCN1CCN(C(=O)CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CC1 ZINC000819701818 607371907 /nfs/dbraw/zinc/37/19/07/607371907.db2.gz OFBKMUCPRXHGQN-UHFFFAOYSA-N -1 3 383.456 0.843 20 30 GCEDHM C#C[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819688651 599624400 /nfs/dbraw/zinc/62/44/00/599624400.db2.gz LLWZAKNDWHHPIT-GFCCVEGCSA-N -1 3 389.437 0.832 20 30 GCEDHM C#C[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819688651 599624401 /nfs/dbraw/zinc/62/44/01/599624401.db2.gz LLWZAKNDWHHPIT-GFCCVEGCSA-N -1 3 389.437 0.832 20 30 GCEDHM N#CC(C(=O)CCNC(=O)[O-])C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000739073527 599798782 /nfs/dbraw/zinc/79/87/82/599798782.db2.gz DADBBQKOSIDHDE-MRVPVSSYSA-N -1 3 378.297 0.671 20 30 GCEDHM Cc1cc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)n(CCC#N)n1 ZINC000826269589 607516006 /nfs/dbraw/zinc/51/60/06/607516006.db2.gz QDBPKYBWXDLXSB-UHFFFAOYSA-N -1 3 379.384 0.540 20 30 GCEDHM Cc1cc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)n(CCC#N)n1 ZINC000826269589 607516008 /nfs/dbraw/zinc/51/60/08/607516008.db2.gz QDBPKYBWXDLXSB-UHFFFAOYSA-N -1 3 379.384 0.540 20 30 GCEDHM N#Cc1cc(COC(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000826383462 607594764 /nfs/dbraw/zinc/59/47/64/607594764.db2.gz BKMCOVQIRIEQMW-UHFFFAOYSA-N -1 3 399.392 0.155 20 30 GCEDHM N#Cc1cc(COC(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000826383462 607594766 /nfs/dbraw/zinc/59/47/66/607594766.db2.gz BKMCOVQIRIEQMW-UHFFFAOYSA-N -1 3 399.392 0.155 20 30 GCEDHM N#C[C@H]1COCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826380668 607649405 /nfs/dbraw/zinc/64/94/05/607649405.db2.gz JERUIIKKIWJKTR-VIFPVBQESA-N -1 3 388.331 0.799 20 30 GCEDHM N#Cc1ccc(C(=O)N(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)[nH]1 ZINC000826384275 607719687 /nfs/dbraw/zinc/71/96/87/607719687.db2.gz OJNJDIHYSHIVHK-UHFFFAOYSA-N -1 3 379.384 0.429 20 30 GCEDHM N#Cc1ccc(C(=O)N(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)[nH]1 ZINC000826384275 607719688 /nfs/dbraw/zinc/71/96/88/607719688.db2.gz OJNJDIHYSHIVHK-UHFFFAOYSA-N -1 3 379.384 0.429 20 30 GCEDHM COC[C@](C)(CC(=O)[O-])NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000833721769 605058637 /nfs/dbraw/zinc/05/86/37/605058637.db2.gz GQIXZEXDKZQSJY-KSSFIOAISA-N -1 3 394.497 0.926 20 30 GCEDHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC000824236431 607734779 /nfs/dbraw/zinc/73/47/79/607734779.db2.gz NTXVMJIHPLRPEC-GFCCVEGCSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC000824236431 607734780 /nfs/dbraw/zinc/73/47/80/607734780.db2.gz NTXVMJIHPLRPEC-GFCCVEGCSA-N -1 3 395.427 0.969 20 30 GCEDHM CC(C)[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824192885 607736477 /nfs/dbraw/zinc/73/64/77/607736477.db2.gz OCAGHZAYVXUWDQ-CQSZACIVSA-N -1 3 381.400 0.579 20 30 GCEDHM CC(C)[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824192885 607736478 /nfs/dbraw/zinc/73/64/78/607736478.db2.gz OCAGHZAYVXUWDQ-CQSZACIVSA-N -1 3 381.400 0.579 20 30 GCEDHM Cn1cc(C#N)c(NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)n1 ZINC000822665703 606173578 /nfs/dbraw/zinc/17/35/78/606173578.db2.gz WLZRBIHMHJTBCD-UHFFFAOYSA-N -1 3 396.390 0.965 20 30 GCEDHM NS(=O)(=O)c1ccc(N=NCc2cc(-c3nnn[n-]3)cs2)c([N+](=O)[O-])c1 ZINC000822899637 606202904 /nfs/dbraw/zinc/20/29/04/606202904.db2.gz MRTMBOKCGZSEGO-UHFFFAOYSA-N -1 3 394.398 0.930 20 30 GCEDHM NS(=O)(=O)c1ccc(N=NCc2cc(-c3nn[n-]n3)cs2)c([N+](=O)[O-])c1 ZINC000822899637 606202906 /nfs/dbraw/zinc/20/29/06/606202906.db2.gz MRTMBOKCGZSEGO-UHFFFAOYSA-N -1 3 394.398 0.930 20 30 GCEDHM C=CCNC(=O)CN1CCN([C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819750974 606313069 /nfs/dbraw/zinc/31/30/69/606313069.db2.gz LCUPXXLZOHDHTP-QGZVFWFLSA-N -1 3 399.455 0.001 20 30 GCEDHM C=CCNC(=O)CN1CCN([C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819750974 606313071 /nfs/dbraw/zinc/31/30/71/606313071.db2.gz LCUPXXLZOHDHTP-QGZVFWFLSA-N -1 3 399.455 0.001 20 30 GCEDHM CNC(=O)Cc1nc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cs1 ZINC000821633779 606327665 /nfs/dbraw/zinc/32/76/65/606327665.db2.gz CNVMPYVUFHWESR-UHFFFAOYSA-N -1 3 387.454 0.753 20 30 GCEDHM CNC(=O)Cc1nc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cs1 ZINC000821633779 606327667 /nfs/dbraw/zinc/32/76/67/606327667.db2.gz CNVMPYVUFHWESR-UHFFFAOYSA-N -1 3 387.454 0.753 20 30 GCEDHM CNC(=O)Cc1nc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)cs1 ZINC000821634203 606328274 /nfs/dbraw/zinc/32/82/74/606328274.db2.gz WRSJNPOCSVVZDZ-UHFFFAOYSA-N -1 3 387.454 0.753 20 30 GCEDHM CNC(=O)Cc1nc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)cs1 ZINC000821634203 606328275 /nfs/dbraw/zinc/32/82/75/606328275.db2.gz WRSJNPOCSVVZDZ-UHFFFAOYSA-N -1 3 387.454 0.753 20 30 GCEDHM Cn1c(=O)c(=Cc2cc(-c3nnn[n-]3)cs2)sc1=C(C#N)C(=O)C1CCC1 ZINC000822591466 606331560 /nfs/dbraw/zinc/33/15/60/606331560.db2.gz SOZHLPWKTIXBFW-UHFFFAOYSA-N -1 3 398.473 0.561 20 30 GCEDHM Cn1c(=O)c(=Cc2cc(-c3nn[n-]n3)cs2)sc1=C(C#N)C(=O)C1CCC1 ZINC000822591466 606331561 /nfs/dbraw/zinc/33/15/61/606331561.db2.gz SOZHLPWKTIXBFW-UHFFFAOYSA-N -1 3 398.473 0.561 20 30 GCEDHM N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[C@H]2NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000822819266 606363482 /nfs/dbraw/zinc/36/34/82/606363482.db2.gz NUTQCWHZZHXRMS-DGCLKSJQSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[C@H]2NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822819266 606363484 /nfs/dbraw/zinc/36/34/84/606363484.db2.gz NUTQCWHZZHXRMS-DGCLKSJQSA-N -1 3 393.411 0.723 20 30 GCEDHM N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822842401 606398326 /nfs/dbraw/zinc/39/83/26/606398326.db2.gz GYLIXNUAMYQSER-UHFFFAOYSA-N -1 3 395.358 0.439 20 30 GCEDHM N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822842401 606398327 /nfs/dbraw/zinc/39/83/27/606398327.db2.gz GYLIXNUAMYQSER-UHFFFAOYSA-N -1 3 395.358 0.439 20 30 GCEDHM C#CCNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1-c1nnn[n-]1 ZINC000819701452 606413413 /nfs/dbraw/zinc/41/34/13/606413413.db2.gz HXUNFJAHEKBTDZ-UHFFFAOYSA-N -1 3 379.428 0.808 20 30 GCEDHM C#CCNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1-c1nn[n-]n1 ZINC000819701452 606413415 /nfs/dbraw/zinc/41/34/15/606413415.db2.gz HXUNFJAHEKBTDZ-UHFFFAOYSA-N -1 3 379.428 0.808 20 30 GCEDHM C#CCN(CC#C)C(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000819697583 606459255 /nfs/dbraw/zinc/45/92/55/606459255.db2.gz IFGFAQKFORSJRV-OAHLLOKOSA-N -1 3 391.391 0.167 20 30 GCEDHM C#CCN(CC#C)C(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000819697583 606459256 /nfs/dbraw/zinc/45/92/56/606459256.db2.gz IFGFAQKFORSJRV-OAHLLOKOSA-N -1 3 391.391 0.167 20 30 GCEDHM N#Cc1c[nH]c(C(=O)NC2CCC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)c1 ZINC000822819123 606475575 /nfs/dbraw/zinc/47/55/75/606475575.db2.gz LBILHHYIZQPDQE-UHFFFAOYSA-N -1 3 393.411 0.866 20 30 GCEDHM N#Cc1c[nH]c(C(=O)NC2CCC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)c1 ZINC000822819123 606475576 /nfs/dbraw/zinc/47/55/76/606475576.db2.gz LBILHHYIZQPDQE-UHFFFAOYSA-N -1 3 393.411 0.866 20 30 GCEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC#Cc1ccccc1 ZINC000821755472 606606843 /nfs/dbraw/zinc/60/68/43/606606843.db2.gz GWLDQJGMQJOQJR-UHFFFAOYSA-N -1 3 376.376 0.982 20 30 GCEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC#Cc1ccccc1 ZINC000821755472 606606845 /nfs/dbraw/zinc/60/68/45/606606845.db2.gz GWLDQJGMQJOQJR-UHFFFAOYSA-N -1 3 376.376 0.982 20 30 GCEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000821612221 606658826 /nfs/dbraw/zinc/65/88/26/606658826.db2.gz NBJOLVIYHJQBCI-UHFFFAOYSA-N -1 3 379.384 0.574 20 30 GCEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000821612221 606658827 /nfs/dbraw/zinc/65/88/27/606658827.db2.gz NBJOLVIYHJQBCI-UHFFFAOYSA-N -1 3 379.384 0.574 20 30 GCEDHM C#CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000819697974 606677825 /nfs/dbraw/zinc/67/78/25/606677825.db2.gz PKECCWZIDRTDSM-SNVBAGLBSA-N -1 3 381.364 0.407 20 30 GCEDHM C#CCN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000819697974 606677826 /nfs/dbraw/zinc/67/78/26/606677826.db2.gz PKECCWZIDRTDSM-SNVBAGLBSA-N -1 3 381.364 0.407 20 30 GCEDHM C=CCC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819734357 606744746 /nfs/dbraw/zinc/74/47/46/606744746.db2.gz NAMHHKQTWCZOHU-OAHLLOKOSA-N -1 3 392.485 0.500 20 30 GCEDHM C=CCC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819734357 606744747 /nfs/dbraw/zinc/74/47/47/606744747.db2.gz NAMHHKQTWCZOHU-OAHLLOKOSA-N -1 3 392.485 0.500 20 30 GCEDHM NC(=O)[C@H](OC(=O)C#Cc1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000822850599 606763160 /nfs/dbraw/zinc/76/31/60/606763160.db2.gz LEMHVEJAKUMAFR-QGZVFWFLSA-N -1 3 391.343 0.717 20 30 GCEDHM NC(=O)[C@H](OC(=O)C#Cc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000822850599 606763162 /nfs/dbraw/zinc/76/31/62/606763162.db2.gz LEMHVEJAKUMAFR-QGZVFWFLSA-N -1 3 391.343 0.717 20 30 GCEDHM C#CCN(CC(=O)N1CCN(c2oc(C)nc2-c2nnn[n-]2)CC1)C1CCCC1 ZINC000819698148 606784392 /nfs/dbraw/zinc/78/43/92/606784392.db2.gz SPCXVEWZRQCXHU-UHFFFAOYSA-N -1 3 398.471 0.690 20 30 GCEDHM C=C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819730370 606800408 /nfs/dbraw/zinc/80/04/08/606800408.db2.gz XVDLROTUFUFYPN-GFCCVEGCSA-N -1 3 391.457 0.457 20 30 GCEDHM C=C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819730370 606800410 /nfs/dbraw/zinc/80/04/10/606800410.db2.gz XVDLROTUFUFYPN-GFCCVEGCSA-N -1 3 391.457 0.457 20 30 GCEDHM C=CCNC(=O)CN1CCN(CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819751298 606881068 /nfs/dbraw/zinc/88/10/68/606881068.db2.gz SZCPIERFLGGDTO-UHFFFAOYSA-N -1 3 385.472 0.555 20 30 GCEDHM C=CCN(CC=C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819740075 606976329 /nfs/dbraw/zinc/97/63/29/606976329.db2.gz NOTASWYJTQIXJJ-GFCCVEGCSA-N -1 3 376.442 0.734 20 30 GCEDHM C=CCN(CC=C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819740075 606976331 /nfs/dbraw/zinc/97/63/31/606976331.db2.gz NOTASWYJTQIXJJ-GFCCVEGCSA-N -1 3 376.442 0.734 20 30 GCEDHM CCN(C[C@@H](C)C#N)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821170814 606998084 /nfs/dbraw/zinc/99/80/84/606998084.db2.gz XBBVCNXCHHRZKZ-RYUDHWBXSA-N -1 3 391.457 0.542 20 30 GCEDHM CCN(C[C@@H](C)C#N)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821170814 606998085 /nfs/dbraw/zinc/99/80/85/606998085.db2.gz XBBVCNXCHHRZKZ-RYUDHWBXSA-N -1 3 391.457 0.542 20 30 GCEDHM CCN(C[C@H](C)C#N)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821170816 606998152 /nfs/dbraw/zinc/99/81/52/606998152.db2.gz XBBVCNXCHHRZKZ-VXGBXAGGSA-N -1 3 391.457 0.542 20 30 GCEDHM CCN(C[C@H](C)C#N)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821170816 606998153 /nfs/dbraw/zinc/99/81/53/606998153.db2.gz XBBVCNXCHHRZKZ-VXGBXAGGSA-N -1 3 391.457 0.542 20 30 GCEDHM CC[C@](C)(C#N)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820848549 607017249 /nfs/dbraw/zinc/01/72/49/607017249.db2.gz YOXBLSFUJRWSMK-ZUZCIYMTSA-N -1 3 377.430 0.342 20 30 GCEDHM CC[C@](C)(C#N)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820848549 607017250 /nfs/dbraw/zinc/01/72/50/607017250.db2.gz YOXBLSFUJRWSMK-ZUZCIYMTSA-N -1 3 377.430 0.342 20 30 GCEDHM CC(C)C[C@@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820050557 607019767 /nfs/dbraw/zinc/01/97/67/607019767.db2.gz BUCOPGSUPQSEFV-AAEUAGOBSA-N -1 3 391.457 0.588 20 30 GCEDHM CC(C)C[C@@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820050557 607019769 /nfs/dbraw/zinc/01/97/69/607019769.db2.gz BUCOPGSUPQSEFV-AAEUAGOBSA-N -1 3 391.457 0.588 20 30 GCEDHM CC(C)[C@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820445409 607024218 /nfs/dbraw/zinc/02/42/18/607024218.db2.gz PRMOBGBSKDZGID-GWCFXTLKSA-N -1 3 377.430 0.198 20 30 GCEDHM CC(C)[C@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820445409 607024220 /nfs/dbraw/zinc/02/42/20/607024220.db2.gz PRMOBGBSKDZGID-GWCFXTLKSA-N -1 3 377.430 0.198 20 30 GCEDHM C=C(C)COCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819722560 607062766 /nfs/dbraw/zinc/06/27/66/607062766.db2.gz MXWAKDLGEFWVBF-GFCCVEGCSA-N -1 3 394.457 0.242 20 30 GCEDHM C=C(C)COCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819722560 607062767 /nfs/dbraw/zinc/06/27/67/607062767.db2.gz MXWAKDLGEFWVBF-GFCCVEGCSA-N -1 3 394.457 0.242 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822969297 607084517 /nfs/dbraw/zinc/08/45/17/607084517.db2.gz LNKXUEQZLBRSIL-BMRADRMJSA-N -1 3 386.343 0.966 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC1(CC#N)CC1 ZINC000820451949 607091244 /nfs/dbraw/zinc/09/12/44/607091244.db2.gz YQBCYKLXNCOJCC-NSHDSACASA-N -1 3 390.425 0.771 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC1(CC#N)CC1 ZINC000820451949 607091245 /nfs/dbraw/zinc/09/12/45/607091245.db2.gz YQBCYKLXNCOJCC-NSHDSACASA-N -1 3 390.425 0.771 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000819743632 607144884 /nfs/dbraw/zinc/14/48/84/607144884.db2.gz MXVNFMFKOHGHAH-GJZGRUSLSA-N -1 3 385.428 0.597 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000819743632 607144885 /nfs/dbraw/zinc/14/48/85/607144885.db2.gz MXVNFMFKOHGHAH-GJZGRUSLSA-N -1 3 385.428 0.597 20 30 GCEDHM N#Cc1ncn(CC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000822845667 607214444 /nfs/dbraw/zinc/21/44/44/607214444.db2.gz BOOQPHNEZPZEPF-UHFFFAOYSA-N -1 3 379.384 0.400 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1=O ZINC000819750266 607241143 /nfs/dbraw/zinc/24/11/43/607241143.db2.gz BSPGFFITNNGIJX-UHFFFAOYSA-N -1 3 389.759 0.435 20 30 GCEDHM C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1=O ZINC000819750266 607241144 /nfs/dbraw/zinc/24/11/44/607241144.db2.gz BSPGFFITNNGIJX-UHFFFAOYSA-N -1 3 389.759 0.435 20 30 GCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cc(C(N)=O)no1 ZINC000823909743 607781870 /nfs/dbraw/zinc/78/18/70/607781870.db2.gz PILZPWFEVYOBKN-UHFFFAOYSA-N -1 3 382.384 0.851 20 30 GCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cc(C(N)=O)no1 ZINC000823909743 607781871 /nfs/dbraw/zinc/78/18/71/607781871.db2.gz PILZPWFEVYOBKN-UHFFFAOYSA-N -1 3 382.384 0.851 20 30 GCEDHM C#CCN(Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000823849965 607924577 /nfs/dbraw/zinc/92/45/77/607924577.db2.gz FGSQGRFTZVZAMJ-CYBMUJFWSA-N -1 3 389.437 0.276 20 30 GCEDHM C#CCN(Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000823849965 607924578 /nfs/dbraw/zinc/92/45/78/607924578.db2.gz FGSQGRFTZVZAMJ-CYBMUJFWSA-N -1 3 389.437 0.276 20 30 GCEDHM CN(CCC#N)S(=O)(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825914807 608056505 /nfs/dbraw/zinc/05/65/05/608056505.db2.gz ONKBWZGVYREUHH-CQSZACIVSA-N -1 3 377.430 0.330 20 30 GCEDHM CN(CCC#N)S(=O)(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825914807 608056506 /nfs/dbraw/zinc/05/65/06/608056506.db2.gz ONKBWZGVYREUHH-CQSZACIVSA-N -1 3 377.430 0.330 20 30 GCEDHM C=CCCC(=O)COC(=O)CNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000823888554 608056872 /nfs/dbraw/zinc/05/68/72/608056872.db2.gz QGADCNMINWVSGY-UHFFFAOYSA-N -1 3 379.398 0.224 20 30 GCEDHM C=CCCC(=O)COC(=O)CNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000823888554 608056873 /nfs/dbraw/zinc/05/68/73/608056873.db2.gz QGADCNMINWVSGY-UHFFFAOYSA-N -1 3 379.398 0.224 20 30 GCEDHM C=CCCC(=O)COC(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823888849 608056961 /nfs/dbraw/zinc/05/69/61/608056961.db2.gz YPJFHTGKHDYHBI-UHFFFAOYSA-N -1 3 378.410 0.860 20 30 GCEDHM C=CCCC(=O)COC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823888849 608056962 /nfs/dbraw/zinc/05/69/62/608056962.db2.gz YPJFHTGKHDYHBI-UHFFFAOYSA-N -1 3 378.410 0.860 20 30 GCEDHM C=CCCC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823887977 608057735 /nfs/dbraw/zinc/05/77/35/608057735.db2.gz CIDAVZWNFLUZJI-LLVKDONJSA-N -1 3 393.425 0.612 20 30 GCEDHM C=CCCC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823887977 608057736 /nfs/dbraw/zinc/05/77/36/608057736.db2.gz CIDAVZWNFLUZJI-LLVKDONJSA-N -1 3 393.425 0.612 20 30 GCEDHM N#CCN1CCC(NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC000826382333 608063902 /nfs/dbraw/zinc/06/39/02/608063902.db2.gz YUPKCEQACZBCJE-QGZVFWFLSA-N -1 3 396.455 0.938 20 30 GCEDHM N#CCN1CCC(NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000826382333 608063903 /nfs/dbraw/zinc/06/39/03/608063903.db2.gz YUPKCEQACZBCJE-QGZVFWFLSA-N -1 3 396.455 0.938 20 30 GCEDHM C#CCCNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000823844611 608073750 /nfs/dbraw/zinc/07/37/50/608073750.db2.gz DAVWXSCXQXTLOB-UHFFFAOYSA-N -1 3 378.396 0.747 20 30 GCEDHM C#CCOCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823856256 608126074 /nfs/dbraw/zinc/12/60/74/608126074.db2.gz NSMCOAWWLMJTOR-UHFFFAOYSA-N -1 3 375.332 0.814 20 30 GCEDHM C#CCOCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823856256 608126075 /nfs/dbraw/zinc/12/60/75/608126075.db2.gz NSMCOAWWLMJTOR-UHFFFAOYSA-N -1 3 375.332 0.814 20 30 GCEDHM C#CCOCCNC(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823856185 608130278 /nfs/dbraw/zinc/13/02/78/608130278.db2.gz MCLAACMGISUGBM-UHFFFAOYSA-N -1 3 397.439 0.877 20 30 GCEDHM C#CCOCCNC(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823856185 608130279 /nfs/dbraw/zinc/13/02/79/608130279.db2.gz MCLAACMGISUGBM-UHFFFAOYSA-N -1 3 397.439 0.877 20 30 GCEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000824744580 608211132 /nfs/dbraw/zinc/21/11/32/608211132.db2.gz BSPHDMZXIJVTSH-LLVKDONJSA-N -1 3 395.427 0.902 20 30 GCEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000824744580 608211133 /nfs/dbraw/zinc/21/11/33/608211133.db2.gz BSPHDMZXIJVTSH-LLVKDONJSA-N -1 3 395.427 0.902 20 30 GCEDHM C#CCN(C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000823845403 608338268 /nfs/dbraw/zinc/33/82/68/608338268.db2.gz QTGHEUBZZCGVCR-NSHDSACASA-N -1 3 378.389 0.660 20 30 GCEDHM C#CCN(C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000823845403 608338269 /nfs/dbraw/zinc/33/82/69/608338269.db2.gz QTGHEUBZZCGVCR-NSHDSACASA-N -1 3 378.389 0.660 20 30 GCEDHM N#CCN1CCC(CNS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000826381987 608339801 /nfs/dbraw/zinc/33/98/01/608339801.db2.gz JCURVBXLMVYCRK-UHFFFAOYSA-N -1 3 393.448 0.661 20 30 GCEDHM N#CCN1CCC(CNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000826381987 608339802 /nfs/dbraw/zinc/33/98/02/608339802.db2.gz JCURVBXLMVYCRK-UHFFFAOYSA-N -1 3 393.448 0.661 20 30 GCEDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000826171574 608360061 /nfs/dbraw/zinc/36/00/61/608360061.db2.gz RHTOXUZPTOYXRS-VLGSPTGOSA-N -1 3 398.379 0.835 20 30 GCEDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000826171574 608360062 /nfs/dbraw/zinc/36/00/62/608360062.db2.gz RHTOXUZPTOYXRS-VLGSPTGOSA-N -1 3 398.379 0.835 20 30 GCEDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000826171573 608360419 /nfs/dbraw/zinc/36/04/19/608360419.db2.gz RHTOXUZPTOYXRS-FBMGVBCBSA-N -1 3 398.379 0.835 20 30 GCEDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000826171573 608360421 /nfs/dbraw/zinc/36/04/21/608360421.db2.gz RHTOXUZPTOYXRS-FBMGVBCBSA-N -1 3 398.379 0.835 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826407453 608450051 /nfs/dbraw/zinc/45/00/51/608450051.db2.gz NKKYJVXWJMMRRV-ICFOKQHNSA-N -1 3 386.343 0.966 20 30 GCEDHM O=C(CCNC(=O)C1N=CC=CC1=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826407453 608450052 /nfs/dbraw/zinc/45/00/52/608450052.db2.gz NKKYJVXWJMMRRV-ICFOKQHNSA-N -1 3 386.343 0.966 20 30 GCEDHM C#C[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823837398 608453988 /nfs/dbraw/zinc/45/39/88/608453988.db2.gz CYPPPZDOCUAMAA-HZMBPMFUSA-N -1 3 375.410 0.489 20 30 GCEDHM C#C[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823837398 608453989 /nfs/dbraw/zinc/45/39/89/608453989.db2.gz CYPPPZDOCUAMAA-HZMBPMFUSA-N -1 3 375.410 0.489 20 30 GCEDHM Cc1cc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)nn1CCC#N ZINC000826269437 608490594 /nfs/dbraw/zinc/49/05/94/608490594.db2.gz MCTDFZIPWCXJDE-UHFFFAOYSA-N -1 3 379.384 0.540 20 30 GCEDHM Cc1cc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)nn1CCC#N ZINC000826269437 608490595 /nfs/dbraw/zinc/49/05/95/608490595.db2.gz MCTDFZIPWCXJDE-UHFFFAOYSA-N -1 3 379.384 0.540 20 30 GCEDHM Cc1cc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)nn1CCC#N ZINC000826269510 608491679 /nfs/dbraw/zinc/49/16/79/608491679.db2.gz OMVCDDJBHRSUGP-UHFFFAOYSA-N -1 3 397.374 0.679 20 30 GCEDHM Cc1cc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)nn1CCC#N ZINC000826269510 608491680 /nfs/dbraw/zinc/49/16/80/608491680.db2.gz OMVCDDJBHRSUGP-UHFFFAOYSA-N -1 3 397.374 0.679 20 30 GCEDHM COCC#CCN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826147083 608584581 /nfs/dbraw/zinc/58/45/81/608584581.db2.gz NCXOXXRZJZSRDG-HNNXBMFYSA-N -1 3 391.453 0.686 20 30 GCEDHM COCC#CCN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826147083 608584583 /nfs/dbraw/zinc/58/45/83/608584583.db2.gz NCXOXXRZJZSRDG-HNNXBMFYSA-N -1 3 391.453 0.686 20 30 GCEDHM N#Cc1ncn(CC(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000826388436 608605611 /nfs/dbraw/zinc/60/56/11/608605611.db2.gz YTVUZJWXVJSTEX-UHFFFAOYSA-N -1 3 394.399 0.231 20 30 GCEDHM N#Cc1ncn(CC(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000826388436 608605612 /nfs/dbraw/zinc/60/56/12/608605612.db2.gz YTVUZJWXVJSTEX-UHFFFAOYSA-N -1 3 394.399 0.231 20 30 GCEDHM N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2=O)cc1 ZINC000826385435 609179300 /nfs/dbraw/zinc/17/93/00/609179300.db2.gz MHWRJKBISOPJJH-OAHLLOKOSA-N -1 3 376.380 0.992 20 30 GCEDHM N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2=O)cc1 ZINC000826385435 609179301 /nfs/dbraw/zinc/17/93/01/609179301.db2.gz MHWRJKBISOPJJH-OAHLLOKOSA-N -1 3 376.380 0.992 20 30 GCEDHM N#Cc1cc(C(=O)NC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)c[nH]1 ZINC000826383796 609205876 /nfs/dbraw/zinc/20/58/76/609205876.db2.gz QNGUXESCXYJBPX-CQSZACIVSA-N -1 3 379.384 0.333 20 30 GCEDHM N#Cc1cc(C(=O)NC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)c[nH]1 ZINC000826383796 609205877 /nfs/dbraw/zinc/20/58/77/609205877.db2.gz QNGUXESCXYJBPX-CQSZACIVSA-N -1 3 379.384 0.333 20 30 GCEDHM Cc1cc(C(=O)N2CCN(CC#N)CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257512 609233773 /nfs/dbraw/zinc/23/37/73/609233773.db2.gz FYNKSXWRGDHXGU-UHFFFAOYSA-N -1 3 377.412 0.642 20 30 GCEDHM Cc1cc(C(=O)N2CCN(CC#N)CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257512 609233774 /nfs/dbraw/zinc/23/37/74/609233774.db2.gz FYNKSXWRGDHXGU-UHFFFAOYSA-N -1 3 377.412 0.642 20 30 GCEDHM N#CC1(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CCN(Cc2ccccc2)CC1 ZINC000826380115 609399437 /nfs/dbraw/zinc/39/94/37/609399437.db2.gz NQEQMZQVNILEOD-UHFFFAOYSA-N -1 3 392.427 0.133 20 30 GCEDHM N#CC1(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CCN(Cc2ccccc2)CC1 ZINC000826380115 609399440 /nfs/dbraw/zinc/39/94/40/609399440.db2.gz NQEQMZQVNILEOD-UHFFFAOYSA-N -1 3 392.427 0.133 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)C#N ZINC000824640997 609430146 /nfs/dbraw/zinc/43/01/46/609430146.db2.gz QVIFNGNCJLAJMF-JTQLQIEISA-N -1 3 377.430 0.199 20 30 GCEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)C#N ZINC000824640997 609430149 /nfs/dbraw/zinc/43/01/49/609430149.db2.gz QVIFNGNCJLAJMF-JTQLQIEISA-N -1 3 377.430 0.199 20 30 GCEDHM CN(C)CC#CCNC(=O)c1sccc1S(=O)(=O)[N-]c1cnn(C)c1 ZINC000913517873 639581583 /nfs/dbraw/zinc/58/15/83/639581583.db2.gz SZPKBQWSSGFYJF-UHFFFAOYSA-N -1 3 381.483 0.577 20 30 GCEDHM C[C@H](CC(=O)N(C)CCS(C)(=O)=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742631870 640247715 /nfs/dbraw/zinc/24/77/15/640247715.db2.gz UOKJZSSGUIOJFI-LLVKDONJSA-N -1 3 387.483 0.007 20 30 GCEDHM C[C@H](CC(=O)N[C@@H](C)CS(C)(=O)=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742677369 640248862 /nfs/dbraw/zinc/24/88/62/640248862.db2.gz YIJXGOIEXMLVLQ-MNOVXSKESA-N -1 3 387.483 0.053 20 30 GCEDHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCc1ccc(C(=O)NO)cc1 ZINC000746268106 640290227 /nfs/dbraw/zinc/29/02/27/640290227.db2.gz IEGXQNNWNZWEIR-UHFFFAOYSA-N -1 3 397.185 0.147 20 30 GCEDHM C#CCNC(=O)COC(=O)c1c(Cl)ccc(S(=O)(=O)[N-]C)c1Cl ZINC000751687048 640391635 /nfs/dbraw/zinc/39/16/35/640391635.db2.gz OEWUDCSKVKOSIX-UHFFFAOYSA-N -1 3 379.221 0.808 20 30 GCEDHM CCOCCS(=O)(=O)[N-]CC(=O)OCC(=O)Nc1sccc1C#N ZINC000767381164 640722242 /nfs/dbraw/zinc/72/22/42/640722242.db2.gz WUOGYMBFWPPWDO-UHFFFAOYSA-N -1 3 375.428 0.057 20 30 GCEDHM CS[C@H](CO)[C@H](C)NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000769338749 640771634 /nfs/dbraw/zinc/77/16/34/640771634.db2.gz CLHNAPORKUHXIW-GMXVVIOVSA-N -1 3 385.511 0.732 20 30 GCEDHM C#CCNC(=O)COC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000795783188 641525551 /nfs/dbraw/zinc/52/55/51/641525551.db2.gz QIPQOWOLRPOSLJ-UHFFFAOYSA-N -1 3 378.328 0.983 20 30 GCEDHM COC(=O)c1cc(S(=O)(=O)[N-]CC(=O)NCC#N)c(Cl)cc1Cl ZINC000796217204 641540246 /nfs/dbraw/zinc/54/02/46/641540246.db2.gz MKVXMRVNHWBMLL-UHFFFAOYSA-N -1 3 380.209 0.698 20 30 GCEDHM C#CCC[C@H](O)CNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000799080628 641600792 /nfs/dbraw/zinc/60/07/92/641600792.db2.gz KQLWCWGZXRVWCB-VIFPVBQESA-N -1 3 395.300 0.679 20 30 GCEDHM N#C[C@@H]1CN(S(=O)(=O)[N-]C[C@](O)(c2ccccc2)C(F)(F)F)CCO1 ZINC000800057442 641766387 /nfs/dbraw/zinc/76/63/87/641766387.db2.gz COLPQDVERYZPRX-OLZOCXBDSA-N -1 3 379.360 0.495 20 30 GCEDHM O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@@H]1CCCN([O-])C1=O ZINC000816759494 641864810 /nfs/dbraw/zinc/86/48/10/641864810.db2.gz NUMXWNDPOUYBFN-GFCCVEGCSA-N -1 3 375.834 0.505 20 30 GCEDHM Cn1nc(Br)cc1NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000820237423 641953391 /nfs/dbraw/zinc/95/33/91/641953391.db2.gz WVTIHCFMLMNULY-UHFFFAOYSA-N -1 3 398.242 0.860 20 30 GCEDHM C#CCOC(=O)[C@@H](CCS(C)(=O)=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000928977768 641954062 /nfs/dbraw/zinc/95/40/62/641954062.db2.gz JCRBEELXUVTULJ-BMQCOBNYSA-N -1 3 385.463 0.556 20 30 GCEDHM C#CCOC(=O)[C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000928977770 641954242 /nfs/dbraw/zinc/95/42/42/641954242.db2.gz JCRBEELXUVTULJ-GLNPCMGASA-N -1 3 385.463 0.556 20 30 GCEDHM CON(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CCCN([O-])C2=O)ccc1Cl ZINC000820476540 641960901 /nfs/dbraw/zinc/96/09/01/641960901.db2.gz MTFYZOLUMJDNFD-NSHDSACASA-N -1 3 391.833 0.632 20 30 GCEDHM NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)sc1Br ZINC000820481971 641961549 /nfs/dbraw/zinc/96/15/49/641961549.db2.gz BSZCKYCHPINKGK-RXMQYKEDSA-N -1 3 398.260 0.268 20 30 GCEDHM C[C@@H](CC(=O)N1C[C@@H](C)CS1(=O)=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000835573380 642232644 /nfs/dbraw/zinc/23/26/44/642232644.db2.gz MYGGEELFVCGIOS-MNOVXSKESA-N -1 3 385.467 0.312 20 30 GCEDHM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N[C@H]1CCCN(O)C1=O ZINC000848138566 642528809 /nfs/dbraw/zinc/52/88/09/642528809.db2.gz RZKCWBMZWGXCGC-JTQLQIEISA-N -1 3 396.252 0.768 20 30 GCEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000848136806 642528885 /nfs/dbraw/zinc/52/88/85/642528885.db2.gz RKCPKPRWLLRVFA-CYBMUJFWSA-N -1 3 387.845 0.990 20 30 GCEDHM C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F ZINC000848447640 642539407 /nfs/dbraw/zinc/53/94/07/642539407.db2.gz CXMLCJOLKHRKAJ-UHFFFAOYSA-N -1 3 379.431 0.800 20 30 GCEDHM C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1c(C)n[nH]c1C(F)F ZINC000848964880 642600999 /nfs/dbraw/zinc/60/09/99/642600999.db2.gz FYQLRTJLJULAFX-QMMMGPOBSA-N -1 3 384.430 0.729 20 30 GCEDHM C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccnc1NC(C)=O ZINC000848965167 642602003 /nfs/dbraw/zinc/60/20/03/642602003.db2.gz KDBBINKQMSYONH-LLVKDONJSA-N -1 3 388.471 0.113 20 30 GCEDHM C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc2cccnc2n1C ZINC000848965731 642604053 /nfs/dbraw/zinc/60/40/53/642604053.db2.gz WHTDDPOXEYJZPM-NSHDSACASA-N -1 3 385.471 0.041 20 30 GCEDHM C#CC[C@@H](CCOC)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000859424097 643011830 /nfs/dbraw/zinc/01/18/30/643011830.db2.gz NRXPUGBSRZIVOF-NSHDSACASA-N -1 3 378.447 0.904 20 30 GCEDHM Cn1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3ccc(C#N)cc3F)C2=O)n1 ZINC000610267288 1184681180 /nfs/dbraw/zinc/68/11/80/1184681180.db2.gz NQFAYWCEKAHSIX-ZDUSSCGKSA-N -1 3 377.401 0.905 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)CC2(O)CCOCC2)ccc1F ZINC000275504753 1184692046 /nfs/dbraw/zinc/69/20/46/1184692046.db2.gz VTLMAZCKPYRZST-UHFFFAOYSA-N -1 3 386.445 0.904 20 30 GCEDHM CC(C)OCCS(=O)(=O)[N-]CC(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000748147732 1185057671 /nfs/dbraw/zinc/05/76/71/1185057671.db2.gz FUUYCFPPAIHBAP-ZDUSSCGKSA-N -1 3 397.453 0.773 20 30 GCEDHM Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC001670649753 1185223784 /nfs/dbraw/zinc/22/37/84/1185223784.db2.gz KELMLLDIYMNJBP-OAHLLOKOSA-N -1 3 391.428 0.901 20 30 GCEDHM CC(C)(C)N1CC[C@H](NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1=O ZINC000843621348 1187149253 /nfs/dbraw/zinc/14/92/53/1187149253.db2.gz WFFJOLSLPYBOCO-LBPRGKRZSA-N -1 3 378.454 0.241 20 30 GCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001023866252 1187159963 /nfs/dbraw/zinc/15/99/63/1187159963.db2.gz YUJYPVOBPPUTJH-CRNXPOROSA-N -1 3 385.424 0.241 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000582198406 1187734865 /nfs/dbraw/zinc/73/48/65/1187734865.db2.gz ZMZKFZSMCXYXGV-ZDUSSCGKSA-N -1 3 380.470 0.701 20 30 GCEDHM N#Cc1ccc(S(=O)(=O)[N-]CC(=O)N2CCN(Cc3ccccc3)CC2)o1 ZINC000416389028 1189509552 /nfs/dbraw/zinc/50/95/52/1189509552.db2.gz MLCYANHXHDFRDJ-UHFFFAOYSA-N -1 3 388.449 0.774 20 30 GCEDHM COC(=O)[C@@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)Cc1ccc([O-])c(F)c1 ZINC000420768303 1194263959 /nfs/dbraw/zinc/26/39/59/1194263959.db2.gz OGKYANHHLBFKIV-WCQYABFASA-N -1 3 387.433 0.931 20 30 GCEDHM COC(=O)[C@@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)Cc1ccc([O-])c(F)c1 ZINC000420768301 1194264340 /nfs/dbraw/zinc/26/43/40/1194264340.db2.gz OGKYANHHLBFKIV-DGCLKSJQSA-N -1 3 387.433 0.931 20 30 GCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)NC(=O)NC(C)(C)C ZINC000017223228 1194761467 /nfs/dbraw/zinc/76/14/67/1194761467.db2.gz AUSNWJZYSBXDJK-UHFFFAOYSA-N -1 3 376.413 0.964 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](OCC)C1 ZINC000983334602 1194924517 /nfs/dbraw/zinc/92/45/17/1194924517.db2.gz CGTUAQPRDBRMJG-LUYZLQTOSA-N -1 3 390.440 0.367 20 30 GCEDHM CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436485061 1195012070 /nfs/dbraw/zinc/01/20/70/1195012070.db2.gz FXVRUMNRRIDVNM-CQSZACIVSA-N -1 3 380.470 0.876 20 30 GCEDHM CC(=O)N1CCC(CNC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000729445790 1195419523 /nfs/dbraw/zinc/41/95/23/1195419523.db2.gz LBZMVLPHKQUMGZ-UHFFFAOYSA-N -1 3 378.454 0.100 20 30 GCEDHM Cc1ccc(C(=O)NCCC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c([O-])c1 ZINC000331241797 1195725680 /nfs/dbraw/zinc/72/56/80/1195725680.db2.gz QMUJOHJQLREVER-ZDUSSCGKSA-N -1 3 383.470 0.888 20 30 GCEDHM CCO[C@@H]1COCC[C@@H]1NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000760047262 1195829512 /nfs/dbraw/zinc/82/95/12/1195829512.db2.gz RJGZXQDIHZOKLR-VHDGCEQUSA-N -1 3 395.481 0.814 20 30 GCEDHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C ZINC000019610509 1195963972 /nfs/dbraw/zinc/96/39/72/1195963972.db2.gz UNZXEXWNMIWLHB-HNNXBMFYSA-N -1 3 386.430 0.167 20 30 GCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@H]2OCC[C@H]2C)n1 ZINC000984133135 1195977155 /nfs/dbraw/zinc/97/71/55/1195977155.db2.gz CJWFOEHRYAHHKV-CVGURMSBSA-N -1 3 390.440 0.431 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](CO)[C@@H]2CCOC2)ccc1F ZINC000281808515 1196334896 /nfs/dbraw/zinc/33/48/96/1196334896.db2.gz NHPTWIQGXFBDPU-KGLIPLIRSA-N -1 3 386.445 0.665 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)[C@H]1CCNC1=O ZINC000760110628 1196407246 /nfs/dbraw/zinc/40/72/46/1196407246.db2.gz VXXNJAYFFSNVPI-KBPBESRZSA-N -1 3 392.481 0.487 20 30 GCEDHM COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1cnc(C)[n-]c1=O ZINC000543212865 1199588659 /nfs/dbraw/zinc/58/86/59/1199588659.db2.gz SPVKCVXMGUXEAV-UHFFFAOYSA-N -1 3 385.380 0.642 20 30 GCEDHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000331175973 1199866973 /nfs/dbraw/zinc/86/69/73/1199866973.db2.gz VQLSFLUMKDSDMP-CYBMUJFWSA-N -1 3 380.470 0.749 20 30 GCEDHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000331175975 1199867275 /nfs/dbraw/zinc/86/72/75/1199867275.db2.gz VQLSFLUMKDSDMP-ZDUSSCGKSA-N -1 3 380.470 0.749 20 30 GCEDHM C#CCOc1cccc(NC(=O)C(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000731126166 1201472863 /nfs/dbraw/zinc/47/28/63/1201472863.db2.gz CIODOZCNQXAJMK-UHFFFAOYSA-N -1 3 381.388 0.889 20 30 GCEDHM C#CCOc1ccc(NC(=O)C(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000731127159 1201472928 /nfs/dbraw/zinc/47/29/28/1201472928.db2.gz WNBWZAMPDGTEMC-UHFFFAOYSA-N -1 3 381.388 0.889 20 30 GCEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC(=O)NCC#N ZINC000731233508 1201477065 /nfs/dbraw/zinc/47/70/65/1201477065.db2.gz JMGBUTUCCYQJHK-CYBMUJFWSA-N -1 3 392.437 0.323 20 30 GCEDHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCNC(=O)C2N=CC=CC2=O)c1 ZINC000731851462 1201504545 /nfs/dbraw/zinc/50/45/45/1201504545.db2.gz XJBNMXQRTJVMAS-PFONDFGASA-N -1 3 397.384 0.417 20 30 GCEDHM C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000731854090 1201505515 /nfs/dbraw/zinc/50/55/15/1201505515.db2.gz SAMRMQYQYGLPTF-UHFFFAOYSA-N -1 3 396.432 0.708 20 30 GCEDHM C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000731854090 1201505521 /nfs/dbraw/zinc/50/55/21/1201505521.db2.gz SAMRMQYQYGLPTF-UHFFFAOYSA-N -1 3 396.432 0.708 20 30 GCEDHM C[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)Nc1ccccc1 ZINC000732543419 1201547283 /nfs/dbraw/zinc/54/72/83/1201547283.db2.gz XFSXTBBWKQNHOP-LBPRGKRZSA-N -1 3 386.433 0.869 20 30 GCEDHM O=C(NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1N=CC=CC1=O ZINC000735083627 1201677595 /nfs/dbraw/zinc/67/75/95/1201677595.db2.gz WDDLIUCTERYHIQ-YPKPFQOOSA-N -1 3 384.345 0.539 20 30 GCEDHM CC(=O)N1CCN(C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000742466507 1201798174 /nfs/dbraw/zinc/79/81/74/1201798174.db2.gz OWEXJTIXRRXDJA-LBPRGKRZSA-N -1 3 378.454 0.194 20 30 GCEDHM C[C@@H](CC(=O)NCCCN1CCOCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742465898 1201798190 /nfs/dbraw/zinc/79/81/90/1201798190.db2.gz MIUHBJAWIVXGFE-AWEZNQCLSA-N -1 3 394.497 0.342 20 30 GCEDHM C[C@@H](CC(=O)NCc1nnc2n1CCC2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742509533 1201799035 /nfs/dbraw/zinc/79/90/35/1201799035.db2.gz QNMVLHDAPTZNPG-NSHDSACASA-N -1 3 388.453 0.358 20 30 GCEDHM COC(=O)[C@@H]1CCCN1C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742523967 1201799058 /nfs/dbraw/zinc/79/90/58/1201799058.db2.gz GLPYITSYSZNSGB-AAEUAGOBSA-N -1 3 379.438 0.668 20 30 GCEDHM CCn1cnnc1CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742544554 1201800554 /nfs/dbraw/zinc/80/05/54/1201800554.db2.gz PWCJUTDPHJEIGM-NSHDSACASA-N -1 3 376.442 0.432 20 30 GCEDHM C[C@H](CC(=O)NCCCC(=O)N(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742578987 1201801400 /nfs/dbraw/zinc/80/14/00/1201801400.db2.gz WQVWYDQSWQWFKX-GFCCVEGCSA-N -1 3 380.470 0.488 20 30 GCEDHM C[C@H](CC(=O)N[C@H](C)C(=O)NC(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742583916 1201801427 /nfs/dbraw/zinc/80/14/27/1201801427.db2.gz UDQZHTUBTGLZJG-VXGBXAGGSA-N -1 3 394.497 0.923 20 30 GCEDHM CCNC(=O)CN(CC)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742568167 1201802187 /nfs/dbraw/zinc/80/21/87/1201802187.db2.gz YKZXIJDICRVKDJ-LBPRGKRZSA-N -1 3 380.470 0.488 20 30 GCEDHM C[C@H](CC(=O)N1CCCN(C(N)=O)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742617568 1201802997 /nfs/dbraw/zinc/80/29/97/1201802997.db2.gz MFEXCARWAJLJDB-GFCCVEGCSA-N -1 3 393.469 0.117 20 30 GCEDHM COC(=O)C(C)(C)N(C)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742630104 1201803304 /nfs/dbraw/zinc/80/33/04/1201803304.db2.gz MJKCIGNZSCNXBY-LLVKDONJSA-N -1 3 381.454 0.914 20 30 GCEDHM C[C@H](CC(=O)N1CCNC(=O)C1(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742630362 1201803579 /nfs/dbraw/zinc/80/35/79/1201803579.db2.gz CJECDDKIFJHMPG-LLVKDONJSA-N -1 3 378.454 0.241 20 30 GCEDHM C[C@@H](CC(=O)NC1(C(N)=O)CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742677109 1201804434 /nfs/dbraw/zinc/80/44/34/1201804434.db2.gz HVIVPOLZMSLEGO-NSHDSACASA-N -1 3 378.454 0.418 20 30 GCEDHM CCn1cnnc1CCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742652806 1201805060 /nfs/dbraw/zinc/80/50/60/1201805060.db2.gz JSANFISBBKJFKJ-GFCCVEGCSA-N -1 3 390.469 0.474 20 30 GCEDHM CC(C)N1CC[C@@H](NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1=O ZINC000742678800 1201805450 /nfs/dbraw/zinc/80/54/50/1201805450.db2.gz IWEIFRJWPMENIC-TZMCWYRMSA-N -1 3 392.481 0.629 20 30 GCEDHM CCc1nncn1CCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742872960 1201809228 /nfs/dbraw/zinc/80/92/28/1201809228.db2.gz OOWFMKHMAPFJFW-LBPRGKRZSA-N -1 3 390.469 0.474 20 30 GCEDHM C[C@H](CC(=O)OCCn1ccccc1=O)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744078067 1201834310 /nfs/dbraw/zinc/83/43/10/1201834310.db2.gz QFAMDNZZJSVZCG-CYBMUJFWSA-N -1 3 389.433 0.909 20 30 GCEDHM C[C@H](CC(=O)OCCN1CCNC1=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000744096396 1201835154 /nfs/dbraw/zinc/83/51/54/1201835154.db2.gz ASDNMGJBBNZQJF-LLVKDONJSA-N -1 3 380.426 0.072 20 30 GCEDHM C[C@@H](CC(=O)N1CCN(CC#N)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744553454 1201846820 /nfs/dbraw/zinc/84/68/20/1201846820.db2.gz LTAQWRVDUAZZAU-ZDUSSCGKSA-N -1 3 375.454 0.171 20 30 GCEDHM CC(C)CNC(=O)COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745497213 1201879645 /nfs/dbraw/zinc/87/96/45/1201879645.db2.gz PLSFTZRDEIQOCN-LBPRGKRZSA-N -1 3 381.454 0.819 20 30 GCEDHM CCN(CC)C(=O)COC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745497948 1201879679 /nfs/dbraw/zinc/87/96/79/1201879679.db2.gz YSTYFXBACXNAKR-GFCCVEGCSA-N -1 3 381.454 0.915 20 30 GCEDHM CCN(CC)C(=O)COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745497949 1201879898 /nfs/dbraw/zinc/87/98/98/1201879898.db2.gz YSTYFXBACXNAKR-LBPRGKRZSA-N -1 3 381.454 0.915 20 30 GCEDHM CNC(=O)C(C)(C)CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000746236772 1201904080 /nfs/dbraw/zinc/90/40/80/1201904080.db2.gz LRNYWYNTBKZTDR-NSHDSACASA-N -1 3 380.470 0.392 20 30 GCEDHM CCNC(=O)C(C)(C)CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000746281243 1201905027 /nfs/dbraw/zinc/90/50/27/1201905027.db2.gz JABMDDUHMIJYSG-GFCCVEGCSA-N -1 3 394.497 0.782 20 30 GCEDHM C[C@@H](CC(=O)Nc1nc(N(C)C)n[nH]1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000804277395 1201923854 /nfs/dbraw/zinc/92/38/54/1201923854.db2.gz CESIPWPPPOUXHC-VIFPVBQESA-N -1 3 377.430 0.327 20 30 GCEDHM C=C[C@@H]1C[C@]1(N[C@@H]1CC[C@@H](C(=O)OCC)OC1)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001169339210 1201943407 /nfs/dbraw/zinc/94/34/07/1201943407.db2.gz AVWKZDIBQAZXRS-ALYFQZSWSA-N -1 3 386.470 0.240 20 30 GCEDHM NS(=O)(=O)c1ccc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000766783542 1201954304 /nfs/dbraw/zinc/95/43/04/1201954304.db2.gz GQTNREJFUIFOQD-UHFFFAOYSA-N -1 3 394.434 0.011 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N[C@H]1CCCCC12OCCO2 ZINC000746491069 1201987539 /nfs/dbraw/zinc/98/75/39/1201987539.db2.gz AFRAKXMGTNYOPE-AWEZNQCLSA-N -1 3 379.438 0.527 20 30 GCEDHM Cc1ccc(-n2nccc2NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)nn1 ZINC000768897062 1202037475 /nfs/dbraw/zinc/03/74/75/1202037475.db2.gz MQTWDYFUAVXFCM-UHFFFAOYSA-N -1 3 397.420 0.648 20 30 GCEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@@H]1CNC(=O)C1 ZINC000770820009 1202114915 /nfs/dbraw/zinc/11/49/15/1202114915.db2.gz SHQQCMCIXRTLRK-AAEUAGOBSA-N -1 3 379.438 0.716 20 30 GCEDHM COc1ccccc1[C@H](CO)NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000771141036 1202127538 /nfs/dbraw/zinc/12/75/38/1202127538.db2.gz JTGMKVYAXOWANU-AWEZNQCLSA-N -1 3 389.433 0.584 20 30 GCEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@@H](C)OC1=O ZINC000771183774 1202128988 /nfs/dbraw/zinc/12/89/88/1202128988.db2.gz HLNRDCNMJDYYDA-KWCYVHTRSA-N -1 3 393.465 0.960 20 30 GCEDHM Cc1noc(C)c1C(=O)COC(=O)CN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000771886956 1202166323 /nfs/dbraw/zinc/16/63/23/1202166323.db2.gz HAZGKTSLJNCXNL-UHFFFAOYSA-N -1 3 377.378 0.756 20 30 GCEDHM C[C@H](CC(=O)O[C@H](C)c1nnnn1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000787719674 1205398593 /nfs/dbraw/zinc/39/85/93/1205398593.db2.gz FQCSPMDALZTUPO-NXEZZACHSA-N -1 3 378.414 0.332 20 30 GCEDHM COC1(CNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CCOCC1 ZINC000746911937 1205464464 /nfs/dbraw/zinc/46/44/64/1205464464.db2.gz FMGZTTDTUZAIDB-CYBMUJFWSA-N -1 3 395.481 0.816 20 30 GCEDHM C[C@H](CC(=O)OC[C@H]1CC(=O)N(C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000772764116 1205472012 /nfs/dbraw/zinc/47/20/12/1205472012.db2.gz DNZAQGMHSDJRPY-NEPJUHHUSA-N -1 3 379.438 0.525 20 30 GCEDHM C[C@H](CC(=O)N[C@@H]1CCN(C)C(=O)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000793918123 1205509532 /nfs/dbraw/zinc/50/95/32/1205509532.db2.gz AGGAEJSZUAMQHP-VXGBXAGGSA-N -1 3 378.454 0.241 20 30 GCEDHM COC(=O)[C@@H]1C[C@H](F)CN1C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000794205557 1205512350 /nfs/dbraw/zinc/51/23/50/1205512350.db2.gz JEUWUWMWJHFGFG-MDZLAQPJSA-N -1 3 397.428 0.616 20 30 GCEDHM Cc1nnc([C@H](C)NC(=O)C[C@H](C)N=C2[N-]S(=O)(=O)c3ccccc32)[nH]1 ZINC000804811940 1205526041 /nfs/dbraw/zinc/52/60/41/1205526041.db2.gz GOEWXPXESMCDQN-UWVGGRQHSA-N -1 3 376.442 0.808 20 30 GCEDHM CC(=O)NCC[C@H]1CCCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000805279782 1205534417 /nfs/dbraw/zinc/53/44/17/1205534417.db2.gz ZFZDFQYXLVDPBS-CQSZACIVSA-N -1 3 392.481 0.490 20 30 GCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)Nc1ccc(C2(O)COC2)cc1 ZINC000807872186 1205593617 /nfs/dbraw/zinc/59/36/17/1205593617.db2.gz VCJQGNFDGXNSGC-UHFFFAOYSA-N -1 3 387.417 0.582 20 30 GCEDHM C=CCNS(=O)(=O)c1cc(C(=O)NCCCc2cc(=O)[nH][n-]2)ccc1F ZINC000808257307 1205604277 /nfs/dbraw/zinc/60/42/77/1205604277.db2.gz CKCIBKRZYYTDOR-UHFFFAOYSA-N -1 3 382.417 0.676 20 30 GCEDHM C[C@@H](CC(=O)OCCc1nncn1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000810691162 1205641520 /nfs/dbraw/zinc/64/15/20/1205641520.db2.gz ULGZRZZMDUULLM-NSHDSACASA-N -1 3 377.426 0.418 20 30 GCEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000811186723 1205648801 /nfs/dbraw/zinc/64/88/01/1205648801.db2.gz VZJGTSKQJZBTNV-UHFFFAOYSA-N -1 3 383.360 0.998 20 30 GCEDHM COC(=O)CCCONC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000811561144 1205653511 /nfs/dbraw/zinc/65/35/11/1205653511.db2.gz MGMBLPBKJOPWRO-NSHDSACASA-N -1 3 383.426 0.505 20 30 GCEDHM NC(=O)Nc1cc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)ccc1F ZINC000814342332 1205690239 /nfs/dbraw/zinc/69/02/39/1205690239.db2.gz ATXWNWAIQMIFLG-UHFFFAOYSA-N -1 3 391.384 0.994 20 30 GCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2cnc3n2CCOC3)ccc1F ZINC001134698544 1205696312 /nfs/dbraw/zinc/69/63/12/1205696312.db2.gz VKOXNYWJLZHSJF-UHFFFAOYSA-N -1 3 394.428 0.947 20 30 GCEDHM N#CC(Cc1cccs1)C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-] ZINC001177917859 1205779276 /nfs/dbraw/zinc/77/92/76/1205779276.db2.gz MQHLGGUCGOZPPE-ZYHUDNBSSA-N -1 3 393.427 0.973 20 30 GCEDHM Cc1nn(C)cc1CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000773880846 1205832876 /nfs/dbraw/zinc/83/28/76/1205832876.db2.gz RHNWEELFGUCQEC-LLVKDONJSA-N -1 3 375.454 0.862 20 30 GCEDHM C=CCOCc1nn(C)c2c1CN(C(=O)Cn1cc(F)c(=O)[n-]c1=O)CC2 ZINC001183655766 1205898116 /nfs/dbraw/zinc/89/81/16/1205898116.db2.gz CCVCBBGMAYDXPP-UHFFFAOYSA-N -1 3 377.376 0.109 20 30 GCEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)C1=O ZINC000774930503 1205929171 /nfs/dbraw/zinc/92/91/71/1205929171.db2.gz SVYDRDPBHFFTPB-MLGOLLRUSA-N -1 3 390.506 0.969 20 30 GCEDHM CC(C)(C)OC(=O)[C@H](CCC(N)=O)[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190669517 1206040465 /nfs/dbraw/zinc/04/04/65/1206040465.db2.gz UHHJKQQFLZSFIS-LBPRGKRZSA-N -1 3 385.417 0.951 20 30 GCEDHM COCCOCCOCCOCC[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190669819 1206040743 /nfs/dbraw/zinc/04/07/43/1206040743.db2.gz ZZRKRODTIXRKNS-UHFFFAOYSA-N -1 3 390.433 0.672 20 30 GCEDHM COC(=O)[C@H](CCc1cn(C)cn1)[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190677302 1206043154 /nfs/dbraw/zinc/04/31/54/1206043154.db2.gz QICAVWBDIHSOEJ-AWEZNQCLSA-N -1 3 380.401 0.884 20 30 GCEDHM