smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[N@H+](CC)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001500790432 1069314454 /nfs/dbraw/zinc/31/44/54/1069314454.db2.gz USZVLWYHCNSZMV-RTBURBONSA-N 1 0 453.595 1.891 20 30 JDEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N ZINC001500993472 1069347693 /nfs/dbraw/zinc/34/76/93/1069347693.db2.gz HCVRLBIEQRZGGQ-GUDVDZBRSA-N 1 0 467.640 1.471 20 30 JDEDRO CC[N@H+](C)Cc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 ZINC001501495801 1069541631 /nfs/dbraw/zinc/54/16/31/1069541631.db2.gz PGNUNHYGCHUZNA-PMACEKPBSA-N 1 0 458.588 1.409 20 30 JDEDRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 ZINC001501495803 1069541705 /nfs/dbraw/zinc/54/17/05/1069541705.db2.gz PGNUNHYGCHUZNA-UXHICEINSA-N 1 0 458.588 1.409 20 30 JDEDRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCSCC2)CC1 ZINC001501780259 1069665061 /nfs/dbraw/zinc/66/50/61/1069665061.db2.gz IDUPQMPBFWXFJL-UHFFFAOYSA-N 1 0 496.685 1.856 20 30 JDEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)CC1 ZINC001476309003 1069679839 /nfs/dbraw/zinc/67/98/39/1069679839.db2.gz LOLKGDGUOWBXHA-UHFFFAOYSA-N 1 0 451.593 1.545 20 30 JDEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 ZINC001501901341 1069767360 /nfs/dbraw/zinc/76/73/60/1069767360.db2.gz MDBCBKKKNTVZDH-UHFFFAOYSA-N 1 0 478.601 1.333 20 30 JDEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001501901706 1069768238 /nfs/dbraw/zinc/76/82/38/1069768238.db2.gz WLQUUFIAGWZPNX-NRFANRHFSA-N 1 0 492.628 1.722 20 30 JDEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 ZINC001501909647 1069798735 /nfs/dbraw/zinc/79/87/35/1069798735.db2.gz DVPUIRINHAGOAE-JOCHJYFZSA-N 1 0 481.601 1.898 20 30 JDEDRO CC[NH+](CC)Cc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 ZINC001501918986 1069801866 /nfs/dbraw/zinc/80/18/66/1069801866.db2.gz MCZRGYKUHSVGOR-XLIONFOSSA-N 1 0 475.619 1.507 20 30 JDEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 ZINC001501929111 1069802899 /nfs/dbraw/zinc/80/28/99/1069802899.db2.gz FYDXXDHYPWAGSO-LJQANCHMSA-N 1 0 459.620 1.876 20 30 JDEDRO CC[NH+](CC)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001501965022 1069808800 /nfs/dbraw/zinc/80/88/00/1069808800.db2.gz LXXWDHDMEPZOGN-FQEVSTJZSA-N 1 0 453.547 1.816 20 30 JDEDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)cn2)CC1 ZINC001477249807 1069807663 /nfs/dbraw/zinc/80/76/63/1069807663.db2.gz GAXXBXXAGXPXLX-UHFFFAOYSA-N 1 0 451.579 1.169 20 30 JDEDRO CC[NH+](CC)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001501964933 1069808371 /nfs/dbraw/zinc/80/83/71/1069808371.db2.gz JRWYGZXNUSMHBC-NRFANRHFSA-N 1 0 466.590 1.731 20 30 JDEDRO CC[NH+](CC)CCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001501961249 1069808399 /nfs/dbraw/zinc/80/83/99/1069808399.db2.gz DLKGPHJRZHVPJF-IBGZPJMESA-N 1 0 480.621 1.509 20 30 JDEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1)C(C)C ZINC001502190800 1069849677 /nfs/dbraw/zinc/84/96/77/1069849677.db2.gz VSMNQXPIXATZNF-UHFFFAOYSA-N 1 0 452.607 1.757 20 30 JDEDRO N#C[C@@]12CN(C(=O)NCCCOC3CC[NH+](Cc4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 ZINC001478125355 1069899068 /nfs/dbraw/zinc/89/90/68/1069899068.db2.gz PLZSMQXBUPWRGK-REWPJTCUSA-N 1 0 460.600 1.637 20 30 JDEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@@H]1C ZINC001502250081 1069932488 /nfs/dbraw/zinc/93/24/88/1069932488.db2.gz TXPVMIXBHREBDB-ROUUACIJSA-N 1 0 460.604 1.797 20 30 JDEDRO CC[NH+]1CCC(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502269512 1069982773 /nfs/dbraw/zinc/98/27/73/1069982773.db2.gz OBSLCFOZAKVGTG-QFIPXVFZSA-N 1 0 481.601 1.802 20 30 JDEDRO CC[NH+]1CCC(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502269511 1069983093 /nfs/dbraw/zinc/98/30/93/1069983093.db2.gz OBSLCFOZAKVGTG-JOCHJYFZSA-N 1 0 481.601 1.802 20 30 JDEDRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001502271623 1069994702 /nfs/dbraw/zinc/99/47/02/1069994702.db2.gz JAYYIOSVJUUJSK-TZIWHRDSSA-N 1 0 468.606 1.937 20 30 JDEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001502272696 1069997768 /nfs/dbraw/zinc/99/77/68/1069997768.db2.gz AQKQXYGFCIOMBB-FQEVSTJZSA-N 1 0 450.591 1.369 20 30 JDEDRO CC[N@@H+]1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 ZINC001502278640 1070007434 /nfs/dbraw/zinc/00/74/34/1070007434.db2.gz HLNGHXOQCFADFG-MJGOQNOKSA-N 1 0 460.604 1.940 20 30 JDEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001502293343 1070035733 /nfs/dbraw/zinc/03/57/33/1070035733.db2.gz CVYQLSFGVOUPCP-JOCHJYFZSA-N 1 0 492.628 1.864 20 30 JDEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001502299062 1070042902 /nfs/dbraw/zinc/04/29/02/1070042902.db2.gz FHFRMHWNPGOPPT-RZUBCFFCSA-N 1 0 482.585 1.963 20 30 JDEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)NCCNS(=O)(=O)Cc3ccccc3)CC2)c1 ZINC001478902504 1070065878 /nfs/dbraw/zinc/06/58/78/1070065878.db2.gz VEORQYHEWGMQPD-UHFFFAOYSA-N 1 0 455.584 1.941 20 30 JDEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502310603 1070075003 /nfs/dbraw/zinc/07/50/03/1070075003.db2.gz CKIWBIQETHSZFF-WMZHIEFXSA-N 1 0 480.617 1.184 20 30 JDEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N1CC[NH+](CC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001502311160 1070078563 /nfs/dbraw/zinc/07/85/63/1070078563.db2.gz NRWQXWNARAGUGT-UGKGYDQZSA-N 1 0 485.658 1.856 20 30 JDEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502311666 1070080324 /nfs/dbraw/zinc/08/03/24/1070080324.db2.gz XGDRTZCUKNBCIB-RTBURBONSA-N 1 0 450.591 1.510 20 30 JDEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001502311062 1070076566 /nfs/dbraw/zinc/07/65/66/1070076566.db2.gz LSWKGAXQQIDGNF-PXNSSMCTSA-N 1 0 454.535 1.608 20 30 JDEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502311663 1070081381 /nfs/dbraw/zinc/08/13/81/1070081381.db2.gz XGDRTZCUKNBCIB-MOPGFXCFSA-N 1 0 450.591 1.510 20 30 JDEDRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 ZINC001502312244 1070083013 /nfs/dbraw/zinc/08/30/13/1070083013.db2.gz IWIZAWQOIZIFMH-WIYYLYMNSA-N 1 0 450.591 1.763 20 30 JDEDRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 ZINC001502312241 1070083764 /nfs/dbraw/zinc/08/37/64/1070083764.db2.gz IWIZAWQOIZIFMH-GHTZIAJQSA-N 1 0 450.591 1.763 20 30 JDEDRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@@H]1C ZINC001502323776 1070141475 /nfs/dbraw/zinc/14/14/75/1070141475.db2.gz ZQLOXFIPJSFRRB-ICSRJNTNSA-N 1 0 451.575 1.842 20 30 JDEDRO CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001502334857 1070190562 /nfs/dbraw/zinc/19/05/62/1070190562.db2.gz TXOZLMWSJYNQKD-OAQYLSRUSA-N 1 0 450.591 1.511 20 30 JDEDRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001502338769 1070215762 /nfs/dbraw/zinc/21/57/62/1070215762.db2.gz ZPPPIMWPTVCMNO-FDDCHVKYSA-N 1 0 469.569 1.641 20 30 JDEDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502340886 1070223370 /nfs/dbraw/zinc/22/33/70/1070223370.db2.gz KOOMPUQFJYLQKN-UQBPGWFLSA-N 1 0 464.618 1.792 20 30 JDEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001502340883 1070222504 /nfs/dbraw/zinc/22/25/04/1070222504.db2.gz KOOMPUQFJYLQKN-CLOONOSVSA-N 1 0 464.618 1.792 20 30 JDEDRO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001502342776 1070231200 /nfs/dbraw/zinc/23/12/00/1070231200.db2.gz DQRULKKDOLPPGY-REWPJTCUSA-N 1 0 499.685 1.962 20 30 JDEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502347116 1070260811 /nfs/dbraw/zinc/26/08/11/1070260811.db2.gz UXBPMIAOXPUXNF-HXUWFJFHSA-N 1 0 494.644 1.704 20 30 JDEDRO CCN1CC[NH+](CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502349391 1070266682 /nfs/dbraw/zinc/26/66/82/1070266682.db2.gz WKLGYWDIZQHMTM-DEOSSOPVSA-N 1 0 494.644 1.576 20 30 JDEDRO CCN1CC[NH+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502355049 1070285620 /nfs/dbraw/zinc/28/56/20/1070285620.db2.gz RTRBAPDQYDJFKN-NRFANRHFSA-N 1 0 464.618 1.936 20 30 JDEDRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001493785619 1070344945 /nfs/dbraw/zinc/34/49/45/1070344945.db2.gz LQFDEKAHSLAHSG-KURKYZTESA-N 1 0 453.613 1.129 20 30 JDEDRO C[C@@H]1CCC[N@H+](CCCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)C1 ZINC001493792684 1070345354 /nfs/dbraw/zinc/34/53/54/1070345354.db2.gz MORNKLSXQXHVFZ-KNKQGSTJSA-N 1 0 497.641 1.565 20 30 JDEDRO C[C@H]1CCC[N@H+](CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001493796543 1070348515 /nfs/dbraw/zinc/34/85/15/1070348515.db2.gz LPGFAJPOTBDZMC-ICSRJNTNSA-N 1 0 487.630 1.656 20 30 JDEDRO C[C@@H]1CCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001493853436 1070362460 /nfs/dbraw/zinc/36/24/60/1070362460.db2.gz ILIFYUKHFKTPFA-GOSISDBHSA-N 1 0 487.630 1.731 20 30 JDEDRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C[C@H](C)O1 ZINC001494099963 1070394877 /nfs/dbraw/zinc/39/48/77/1070394877.db2.gz MDTXGRKQNBMFBN-KDURUIRLSA-N 1 0 481.601 1.943 20 30 JDEDRO CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2CCN(CC)CC2)CC1 ZINC001502446893 1070437514 /nfs/dbraw/zinc/43/75/14/1070437514.db2.gz FOMXENYKKJNWGG-UHFFFAOYSA-N 1 0 479.633 1.696 20 30 JDEDRO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC[NH+](C)C)C[C@@H]1N1CCOCC1 ZINC001494237533 1070516845 /nfs/dbraw/zinc/51/68/45/1070516845.db2.gz ZUZRSRRIYXZRAI-UGKGYDQZSA-N 1 0 453.591 1.552 20 30 JDEDRO C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H](C(F)(F)F)O1 ZINC001494470752 1070599501 /nfs/dbraw/zinc/59/95/01/1070599501.db2.gz ZSXNCBMXUHQNAS-FPDPHYFHSA-N 1 0 480.491 1.951 20 30 JDEDRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001494518003 1070609299 /nfs/dbraw/zinc/60/92/99/1070609299.db2.gz GKMMTENONWVVBV-MSOLQXFVSA-N 1 0 467.640 1.519 20 30 JDEDRO CC[C@@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001496187727 1070833293 /nfs/dbraw/zinc/83/32/93/1070833293.db2.gz IFFOTHBCZCPZKZ-YLJYHZDGSA-N 1 0 455.563 1.410 20 30 JDEDRO CC[C@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001496188250 1070833767 /nfs/dbraw/zinc/83/37/67/1070833767.db2.gz LWJNRWNWESDAMT-IBGZPJMESA-N 1 0 465.606 1.724 20 30 JDEDRO CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)CCOC1 ZINC001502729003 1070839444 /nfs/dbraw/zinc/83/94/44/1070839444.db2.gz KRRULSISQFARSV-OFNKIYASSA-N 1 0 458.538 1.930 20 30 JDEDRO CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCC[NH+]2CCN(CC)CC2)CCOC1 ZINC001502729748 1070840689 /nfs/dbraw/zinc/84/06/89/1070840689.db2.gz SJJPXOKEZQRCFR-OFNKIYASSA-N 1 0 461.611 1.077 20 30 JDEDRO COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC[NH+]2CCC(O)CC2)c(OC)c1 ZINC001504203366 1070883631 /nfs/dbraw/zinc/88/36/31/1070883631.db2.gz PCQGPXWRTMILQK-LJQANCHMSA-N 1 0 456.547 1.538 20 30 JDEDRO COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001504231773 1070897857 /nfs/dbraw/zinc/89/78/57/1070897857.db2.gz XHQMMSQAQWSTGN-QFIPXVFZSA-N 1 0 454.575 1.647 20 30 JDEDRO CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001503103991 1071054861 /nfs/dbraw/zinc/05/48/61/1071054861.db2.gz PNKSNXYRTMAHKV-NRFANRHFSA-N 1 0 468.606 1.765 20 30 JDEDRO COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)OC ZINC001504581050 1071405418 /nfs/dbraw/zinc/40/54/18/1071405418.db2.gz OXGLJRQGOYYLTG-OAQYLSRUSA-N 1 0 467.574 1.223 20 30 JDEDRO COC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)OC ZINC001504600396 1071451053 /nfs/dbraw/zinc/45/10/53/1071451053.db2.gz YZUYWNDDZNQOIJ-QFIPXVFZSA-N 1 0 481.601 1.646 20 30 JDEDRO COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001504610581 1071469017 /nfs/dbraw/zinc/46/90/17/1071469017.db2.gz CSPFNFZNNVLKSW-FQEVSTJZSA-N 1 0 485.564 1.458 20 30 JDEDRO COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C[C@@H](C)O1 ZINC001504711680 1071567918 /nfs/dbraw/zinc/56/79/18/1071567918.db2.gz GOVRVXRGOMKRJJ-COPCDDAFSA-N 1 0 454.575 1.904 20 30 JDEDRO COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)C[C@@H](C)O1 ZINC001504711682 1071568624 /nfs/dbraw/zinc/56/86/24/1071568624.db2.gz GOVRVXRGOMKRJJ-QIJUGHKUSA-N 1 0 454.575 1.904 20 30 JDEDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 ZINC001503359687 1071570666 /nfs/dbraw/zinc/57/06/66/1071570666.db2.gz NACFVWBERFBACH-SFTDATJTSA-N 1 0 462.558 1.488 20 30 JDEDRO 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C[NH+](C)CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 ZINC001503401457 1071663989 /nfs/dbraw/zinc/66/39/89/1071663989.db2.gz LYISMFWHSIENSZ-HXUWFJFHSA-N 1 0 476.541 1.643 20 30 JDEDRO C[NH+](C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001503403292 1071669206 /nfs/dbraw/zinc/66/92/06/1071669206.db2.gz WNVKZDLIWXKXLU-UHFFFAOYSA-N 1 0 480.617 1.139 20 30 JDEDRO C[NH+](C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001503403404 1071669280 /nfs/dbraw/zinc/66/92/80/1071669280.db2.gz NKJFHDKLRWHSCW-UHFFFAOYSA-N 1 0 466.590 1.733 20 30 JDEDRO C[NH+](C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001503403693 1071669890 /nfs/dbraw/zinc/66/98/90/1071669890.db2.gz RPDHXKLZBWLZPG-UHFFFAOYSA-N 1 0 466.590 1.779 20 30 JDEDRO COCCC[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001504812618 1071684206 /nfs/dbraw/zinc/68/42/06/1071684206.db2.gz FLSXGFDWWFHIFK-FQEVSTJZSA-N 1 0 452.563 1.341 20 30 JDEDRO 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COCC[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001504853584 1071758990 /nfs/dbraw/zinc/75/89/90/1071758990.db2.gz GNQXOSMOIJQXHL-GOSISDBHSA-N 1 0 479.507 1.900 20 30 JDEDRO COCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC001504853743 1071760287 /nfs/dbraw/zinc/76/02/87/1071760287.db2.gz ALQRVNHHMDNOLN-QFIPXVFZSA-N 1 0 464.574 1.805 20 30 JDEDRO COCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001504855502 1071766033 /nfs/dbraw/zinc/76/60/33/1071766033.db2.gz RAAHKRILNINKDL-NRFANRHFSA-N 1 0 494.644 1.528 20 30 JDEDRO COCC[N@H+](C)CCn1c(COc2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 ZINC001504859135 1071787117 /nfs/dbraw/zinc/78/71/17/1071787117.db2.gz TWWMOWOWHRSDJB-SFHVURJKSA-N 1 0 479.379 1.927 20 30 JDEDRO CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001503478179 1071798181 /nfs/dbraw/zinc/79/81/81/1071798181.db2.gz XSUHUKQCSAKPMB-NRFANRHFSA-N 1 0 451.575 1.869 20 30 JDEDRO 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C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001508123429 1072899061 /nfs/dbraw/zinc/89/90/61/1072899061.db2.gz HYFXZVJVRBEJJW-HBMCJLEFSA-N 1 0 496.678 1.514 20 30 JDEDRO C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCCC[C@@H]2CC)C1 ZINC001508122920 1072899187 /nfs/dbraw/zinc/89/91/87/1072899187.db2.gz HBFBNVHJOPLORF-PWRODBHTSA-N 1 0 496.678 1.657 20 30 JDEDRO C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001508124855 1072899844 /nfs/dbraw/zinc/89/98/44/1072899844.db2.gz MUGWDGPOGVZRMX-SQGPQFPESA-N 1 0 455.650 1.399 20 30 JDEDRO C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001508127703 1072900826 /nfs/dbraw/zinc/90/08/26/1072900826.db2.gz WEKCKRVRTKUYAO-OALUTQOASA-N 1 0 482.651 1.267 20 30 JDEDRO C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001508139658 1072913818 /nfs/dbraw/zinc/91/38/18/1072913818.db2.gz IJCKYVFFEYTXOB-WOJBJXKFSA-N 1 0 490.678 1.274 20 30 JDEDRO C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001508144830 1072923034 /nfs/dbraw/zinc/92/30/34/1072923034.db2.gz HXAFHVAAWWWHAJ-UHFFFAOYSA-N 1 0 466.652 1.212 20 30 JDEDRO CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)C1 ZINC001508237120 1073009035 /nfs/dbraw/zinc/00/90/35/1073009035.db2.gz OGBICNXLEYUUDQ-WMZHIEFXSA-N 1 0 492.628 1.816 20 30 JDEDRO CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@H](C)C1 ZINC001508237122 1073009291 /nfs/dbraw/zinc/00/92/91/1073009291.db2.gz OGBICNXLEYUUDQ-XXBNENTESA-N 1 0 492.628 1.816 20 30 JDEDRO CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC001508274943 1073045680 /nfs/dbraw/zinc/04/56/80/1073045680.db2.gz IFODFNDSEZCMCC-UHFFFAOYSA-N 1 0 494.644 1.528 20 30 JDEDRO CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001508328744 1073086026 /nfs/dbraw/zinc/08/60/26/1073086026.db2.gz IXGAPKUKSZRSBZ-FQEVSTJZSA-N 1 0 469.615 1.882 20 30 JDEDRO CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001508335617 1073093742 /nfs/dbraw/zinc/09/37/42/1073093742.db2.gz GXRFVMAIQKXEDY-GOSISDBHSA-N 1 0 451.575 1.890 20 30 JDEDRO CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001508389836 1073199647 /nfs/dbraw/zinc/19/96/47/1073199647.db2.gz PENHQSTWIJPKMK-DEOSSOPVSA-N 1 0 494.644 1.574 20 30 JDEDRO C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001508420763 1073219999 /nfs/dbraw/zinc/21/99/99/1073219999.db2.gz ARGOYKXEASKIBY-MJGOQNOKSA-N 1 0 460.604 1.765 20 30 JDEDRO C[C@H](C#N)CN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC(=O)N1CCOCC1 ZINC001508426420 1073221717 /nfs/dbraw/zinc/22/17/17/1073221717.db2.gz FZEZUYNPEACKQV-OAQYLSRUSA-N 1 0 480.617 1.097 20 30 JDEDRO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001508645892 1073307485 /nfs/dbraw/zinc/30/74/85/1073307485.db2.gz VEOJSUIQXPOZNG-UFYCRDLUSA-N 1 0 489.621 1.926 20 30 JDEDRO CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001508738851 1073355478 /nfs/dbraw/zinc/35/54/78/1073355478.db2.gz QGRYLPBHXYGADN-UHFFFAOYSA-N 1 0 481.601 1.634 20 30 JDEDRO CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C)[NH+]1CCOCC1 ZINC001508856619 1073420526 /nfs/dbraw/zinc/42/05/26/1073420526.db2.gz PNGCLZAUVPGTOI-GHTZIAJQSA-N 1 0 451.575 1.840 20 30 JDEDRO CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001508857838 1073421894 /nfs/dbraw/zinc/42/18/94/1073421894.db2.gz RJQPDZBZYLLOTL-RXVVDRJESA-N 1 0 451.575 1.840 20 30 JDEDRO CC(C)C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1)[NH+](C)C ZINC001509127937 1073511439 /nfs/dbraw/zinc/51/14/39/1073511439.db2.gz WOMCKMFQGWOTHJ-PMACEKPBSA-N 1 0 481.667 1.717 20 30 JDEDRO CC(C)Cc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001509262105 1073550979 /nfs/dbraw/zinc/55/09/79/1073550979.db2.gz ULXIZDAICYQREX-VEGAHXMMSA-N 1 0 457.579 1.162 20 30 JDEDRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CC1 ZINC001509546294 1073672761 /nfs/dbraw/zinc/67/27/61/1073672761.db2.gz BDMIWJDQKLGHNO-GOSISDBHSA-N 1 0 474.631 1.921 20 30 JDEDRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)C2)CC1 ZINC001509582982 1073709190 /nfs/dbraw/zinc/70/91/90/1073709190.db2.gz XNQSCLMLPIURSA-NRFANRHFSA-N 1 0 471.631 1.466 20 30 JDEDRO Cn1nnc2c1CCN(c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C)[C@H]2COCC[NH+]1CCCC1 ZINC001164714667 720201634 /nfs/dbraw/zinc/20/16/34/720201634.db2.gz HNTDSBNKVQWTOW-MJGOQNOKSA-N 1 0 482.589 1.770 20 30 JDEDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C)CC2 ZINC001164754414 720966063 /nfs/dbraw/zinc/96/60/63/720966063.db2.gz QSSAROSFEBFCRJ-CQSZACIVSA-N 1 0 455.519 1.268 20 30 JDEDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C)CC2 ZINC001164754412 720966521 /nfs/dbraw/zinc/96/65/21/720966521.db2.gz QSSAROSFEBFCRJ-AWEZNQCLSA-N 1 0 455.519 1.268 20 30 JDEDRO CSc1nc(Cl)c(C=NO)c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001164870319 721267249 /nfs/dbraw/zinc/26/72/49/721267249.db2.gz VTJXSQWSPATWTP-UHFFFAOYSA-N 1 0 457.000 1.667 20 30 JDEDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nccnc3[C@H](C#N)C(=O)OC(C)(C)C)CC2)C1 ZINC001164873805 721289594 /nfs/dbraw/zinc/28/95/94/721289594.db2.gz AYGUCXKQKDIBHZ-SFHVURJKSA-N 1 0 472.590 1.432 20 30 JDEDRO Cc1nc(CN2CCOC[C@]3(CN(c4ncc5c(c4C#N)CCC[NH2+]C5)CCO3)C2)cs1 ZINC001164918997 721822751 /nfs/dbraw/zinc/82/27/51/721822751.db2.gz JRQXJMHXDMIJDC-HSZRJFAPSA-N 1 0 454.600 1.862 20 30 JDEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001500928666 1069332255 /nfs/dbraw/zinc/33/22/55/1069332255.db2.gz WLIPUZZMMVLYMK-IBGZPJMESA-N 1 0 457.604 1.630 20 30 JDEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N ZINC001500993475 1069348879 /nfs/dbraw/zinc/34/88/79/1069348879.db2.gz HCVRLBIEQRZGGQ-QRVBRYPASA-N 1 0 467.640 1.471 20 30 JDEDRO CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001501194601 1069447294 /nfs/dbraw/zinc/44/72/94/1069447294.db2.gz QIZZOEODPOQDCM-HXUWFJFHSA-N 1 0 451.575 1.892 20 30 JDEDRO CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001501407078 1069512746 /nfs/dbraw/zinc/51/27/46/1069512746.db2.gz NGIFZZGDQBSGSP-UHFFFAOYSA-N 1 0 464.574 1.039 20 30 JDEDRO CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001501432104 1069530846 /nfs/dbraw/zinc/53/08/46/1069530846.db2.gz LBMOXENSNPXLSW-OAQYLSRUSA-N 1 0 481.601 1.756 20 30 JDEDRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001501780229 1069664796 /nfs/dbraw/zinc/66/47/96/1069664796.db2.gz HRQONYFQGZEWTF-LJQANCHMSA-N 1 0 452.607 1.757 20 30 JDEDRO CC[NH+](CC)[C@@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001501794065 1069720635 /nfs/dbraw/zinc/72/06/35/1069720635.db2.gz NATZPPHOYPYCCE-ROUUACIJSA-N 1 0 489.650 1.212 20 30 JDEDRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001501805150 1069733186 /nfs/dbraw/zinc/73/31/86/1069733186.db2.gz SMLPTRQFACJPQU-LJQANCHMSA-N 1 0 465.606 1.724 20 30 JDEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)CC1 ZINC001501901113 1069761973 /nfs/dbraw/zinc/76/19/73/1069761973.db2.gz DSSXQCOMHSSPCR-NRFANRHFSA-N 1 0 451.575 1.986 20 30 JDEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)CC1 ZINC001501901038 1069762249 /nfs/dbraw/zinc/76/22/49/1069762249.db2.gz BELMFXALSMSANX-UHFFFAOYSA-N 1 0 466.590 1.332 20 30 JDEDRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 ZINC001501912488 1069801062 /nfs/dbraw/zinc/80/10/62/1069801062.db2.gz DFZOOIFBEVUQSI-NHCUHLMSSA-N 1 0 472.615 1.799 20 30 JDEDRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 ZINC001501912489 1069801202 /nfs/dbraw/zinc/80/12/02/1069801202.db2.gz DFZOOIFBEVUQSI-RTWAWAEBSA-N 1 0 472.615 1.799 20 30 JDEDRO CC[NH+](CC)CCOCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCO[C@H](C#N)C1 ZINC001501969032 1069809901 /nfs/dbraw/zinc/80/99/01/1069809901.db2.gz ZWPKTOGWPNLMPQ-QGZVFWFLSA-N 1 0 466.546 1.681 20 30 JDEDRO CC[NH+](CC)CCOCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCO[C@@H](C#N)C1 ZINC001501969031 1069809973 /nfs/dbraw/zinc/80/99/73/1069809973.db2.gz ZWPKTOGWPNLMPQ-KRWDZBQOSA-N 1 0 466.546 1.681 20 30 JDEDRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001501983017 1069811966 /nfs/dbraw/zinc/81/19/66/1069811966.db2.gz VOPMWRJBMSRSIX-QUCCMNQESA-N 1 0 486.646 1.504 20 30 JDEDRO CC[N@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)C ZINC001502186686 1069848451 /nfs/dbraw/zinc/84/84/51/1069848451.db2.gz PHXLXSAZNSXYNF-IBGZPJMESA-N 1 0 488.662 1.817 20 30 JDEDRO C[NH+]1CCN(Cc2cccc(CNC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c2)CC1 ZINC001477771649 1069855508 /nfs/dbraw/zinc/85/55/08/1069855508.db2.gz IOAQYZMXHXMWKK-NHCUHLMSSA-N 1 0 456.591 1.992 20 30 JDEDRO CC[N@@H+]1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CCOC)C(=O)C2)C1 ZINC001502279416 1070008224 /nfs/dbraw/zinc/00/82/24/1070008224.db2.gz WFQMINWRIQXSJX-FQEVSTJZSA-N 1 0 467.574 1.366 20 30 JDEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001502299061 1070042806 /nfs/dbraw/zinc/04/28/06/1070042806.db2.gz FHFRMHWNPGOPPT-KCZVDYSFSA-N 1 0 482.585 1.963 20 30 JDEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502310482 1070074010 /nfs/dbraw/zinc/07/40/10/1070074010.db2.gz AFDYRRSWRKFQAX-NQIIRXRSSA-N 1 0 450.591 1.544 20 30 JDEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001502310760 1070075463 /nfs/dbraw/zinc/07/54/63/1070075463.db2.gz FXNKIVRURNDMGD-HXUWFJFHSA-N 1 0 480.617 1.138 20 30 JDEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502311665 1070080735 /nfs/dbraw/zinc/08/07/35/1070080735.db2.gz XGDRTZCUKNBCIB-RBUKOAKNSA-N 1 0 450.591 1.510 20 30 JDEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502311664 1070081259 /nfs/dbraw/zinc/08/12/59/1070081259.db2.gz XGDRTZCUKNBCIB-OALUTQOASA-N 1 0 450.591 1.510 20 30 JDEDRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001502314471 1070093423 /nfs/dbraw/zinc/09/34/23/1070093423.db2.gz WCRBGKCAOYIOHH-ROUUACIJSA-N 1 0 459.545 1.902 20 30 JDEDRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@@H]1C ZINC001502330668 1070165566 /nfs/dbraw/zinc/16/55/66/1070165566.db2.gz AITCNFQXDSHOGU-SFHVURJKSA-N 1 0 453.547 1.118 20 30 JDEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001502339562 1070218236 /nfs/dbraw/zinc/21/82/36/1070218236.db2.gz AFBNGXLUTYBTJH-HXUWFJFHSA-N 1 0 480.617 1.979 20 30 JDEDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001502340446 1070219419 /nfs/dbraw/zinc/21/94/19/1070219419.db2.gz GLYGTBFGULVMDV-NRFANRHFSA-N 1 0 494.644 1.385 20 30 JDEDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502340786 1070222360 /nfs/dbraw/zinc/22/23/60/1070222360.db2.gz JGIPDKGJKQLPBU-IBGZPJMESA-N 1 0 450.591 1.369 20 30 JDEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502339787 1070218889 /nfs/dbraw/zinc/21/88/89/1070218889.db2.gz BZEVCZBSHNXXMG-DENIHFKCSA-N 1 0 480.617 1.042 20 30 JDEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502340885 1070223606 /nfs/dbraw/zinc/22/36/06/1070223606.db2.gz KOOMPUQFJYLQKN-KBMIEXCESA-N 1 0 464.618 1.792 20 30 JDEDRO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001502342773 1070232210 /nfs/dbraw/zinc/23/22/10/1070232210.db2.gz DQRULKKDOLPPGY-NFBKMPQASA-N 1 0 499.685 1.962 20 30 JDEDRO CCN1CC[NH+](CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)CC1 ZINC001502348896 1070264688 /nfs/dbraw/zinc/26/46/88/1070264688.db2.gz GIHVAMXOTFMFLC-UHFFFAOYSA-N 1 0 455.632 1.803 20 30 JDEDRO CCN1CC[NH+](CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001502349143 1070266373 /nfs/dbraw/zinc/26/63/73/1070266373.db2.gz OAMQNYJHMLISFN-VWLOTQADSA-N 1 0 464.618 1.936 20 30 JDEDRO CCN1CC[NH+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502355051 1070286564 /nfs/dbraw/zinc/28/65/64/1070286564.db2.gz RTRBAPDQYDJFKN-OAQYLSRUSA-N 1 0 464.618 1.936 20 30 JDEDRO CCN1CC[NH+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502355390 1070287979 /nfs/dbraw/zinc/28/79/79/1070287979.db2.gz XKSLGWMBJHJMEB-QFIPXVFZSA-N 1 0 464.618 1.807 20 30 JDEDRO CCN1CC[NH+](CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502356080 1070290432 /nfs/dbraw/zinc/29/04/32/1070290432.db2.gz IRDAOHUYRCWTGS-UHFFFAOYSA-N 1 0 465.606 1.306 20 30 JDEDRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001493786615 1070344713 /nfs/dbraw/zinc/34/47/13/1070344713.db2.gz XSMNARFEGJDEGW-DYXWJJEUSA-N 1 0 492.694 1.577 20 30 JDEDRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001493785620 1070344757 /nfs/dbraw/zinc/34/47/57/1070344757.db2.gz LQFDEKAHSLAHSG-KZNAEPCWSA-N 1 0 453.613 1.129 20 30 JDEDRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001493786617 1070344824 /nfs/dbraw/zinc/34/48/24/1070344824.db2.gz XSMNARFEGJDEGW-SFHLNBCPSA-N 1 0 492.694 1.577 20 30 JDEDRO C[C@@H]1CCC[N@H+](CCCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)C1 ZINC001493792683 1070345278 /nfs/dbraw/zinc/34/52/78/1070345278.db2.gz MORNKLSXQXHVFZ-DXIQSLLYSA-N 1 0 497.641 1.565 20 30 JDEDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001493843242 1070357710 /nfs/dbraw/zinc/35/77/10/1070357710.db2.gz OEVUOETUJAYBLX-KRWDZBQOSA-N 1 0 457.604 1.819 20 30 JDEDRO CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001502435583 1070397717 /nfs/dbraw/zinc/39/77/17/1070397717.db2.gz HROLTLSQNCAKJZ-UHFFFAOYSA-N 1 0 494.644 1.861 20 30 JDEDRO C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CCCC2)n1CCOCC[NH+](C)C ZINC001494138053 1070430119 /nfs/dbraw/zinc/43/01/19/1070430119.db2.gz VGFVJDALOHETLO-IBGZPJMESA-N 1 0 467.622 1.966 20 30 JDEDRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001502471769 1070530766 /nfs/dbraw/zinc/53/07/66/1070530766.db2.gz HROJEFULTOSTBU-DENIHFKCSA-N 1 0 489.671 1.772 20 30 JDEDRO C[C@@H]1C[NH+](CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)C[C@@H](C)O1 ZINC001494537760 1070630361 /nfs/dbraw/zinc/63/03/61/1070630361.db2.gz SPFUTDHNYPTCCD-RTBURBONSA-N 1 0 467.574 1.506 20 30 JDEDRO CCO[C@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@H](C)[NH+](C)C)CCOC1 ZINC001502719305 1070827488 /nfs/dbraw/zinc/82/74/88/1070827488.db2.gz XOLQABYTSVFYIB-FDDCHVKYSA-N 1 0 454.579 1.474 20 30 JDEDRO CCO[C@]1(c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001502718613 1070826792 /nfs/dbraw/zinc/82/67/92/1070826792.db2.gz RFQCBIYJOUBMTN-XMMPIXPASA-N 1 0 468.606 1.864 20 30 JDEDRO CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)CCOC1 ZINC001502728999 1070839044 /nfs/dbraw/zinc/83/90/44/1070839044.db2.gz KRRULSISQFARSV-NFBKMPQASA-N 1 0 458.538 1.930 20 30 JDEDRO CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCC[NH+]2CCN(CC)CC2)CCOC1 ZINC001502729747 1070840729 /nfs/dbraw/zinc/84/07/29/1070840729.db2.gz SJJPXOKEZQRCFR-NZQKXSOJSA-N 1 0 461.611 1.077 20 30 JDEDRO COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001504231858 1070898024 /nfs/dbraw/zinc/89/80/24/1070898024.db2.gz YNZXSQKKCAWWHB-NRFANRHFSA-N 1 0 454.575 1.911 20 30 JDEDRO COC1CC[NH+](C2(Cn3c(C(=O)NC(C)C)nnc3N3CCO[C@H](C#N)C3)CCCC2)CC1 ZINC001504493428 1071271411 /nfs/dbraw/zinc/27/14/11/1071271411.db2.gz ILSUNOYCSRLUIP-LJQANCHMSA-N 1 0 459.595 1.569 20 30 JDEDRO COC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)OC ZINC001504586145 1071417824 /nfs/dbraw/zinc/41/78/24/1071417824.db2.gz XVYMUPMEVTXNOE-QFIPXVFZSA-N 1 0 464.574 1.924 20 30 JDEDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001503360211 1071573013 /nfs/dbraw/zinc/57/30/13/1071573013.db2.gz PFGAVEOJBBRAGT-NTKDMRAZSA-N 1 0 470.622 1.587 20 30 JDEDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 ZINC001503361203 1071575428 /nfs/dbraw/zinc/57/54/28/1071575428.db2.gz SYEUGIYEZBNUAJ-SBUREZEXSA-N 1 0 483.552 1.310 20 30 JDEDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(-c2cnccn2)nnc1N1CCC(C)(C#N)CC1 ZINC001503361688 1071578686 /nfs/dbraw/zinc/57/86/86/1071578686.db2.gz XWLCRJAPVKFLCG-LJQANCHMSA-N 1 0 451.579 1.808 20 30 JDEDRO CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001503362004 1071579300 /nfs/dbraw/zinc/57/93/00/1071579300.db2.gz LQJJTXZLTYRHSL-NRFANRHFSA-N 1 0 478.601 1.428 20 30 JDEDRO CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001503362005 1071579614 /nfs/dbraw/zinc/57/96/14/1071579614.db2.gz LQJJTXZLTYRHSL-OAQYLSRUSA-N 1 0 478.601 1.428 20 30 JDEDRO CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001503366545 1071593074 /nfs/dbraw/zinc/59/30/74/1071593074.db2.gz BMFXGQNWUCYGPF-UHFFFAOYSA-N 1 0 461.574 1.741 20 30 JDEDRO CN(C)C(=O)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@](F)(C#N)C1 ZINC001503367061 1071594311 /nfs/dbraw/zinc/59/43/11/1071594311.db2.gz KBKUSYLKHCFDFW-DEOSSOPVSA-N 1 0 468.581 1.563 20 30 JDEDRO CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001503374654 1071613062 /nfs/dbraw/zinc/61/30/62/1071613062.db2.gz XCLHMDJNBLRBGB-UHFFFAOYSA-N 1 0 491.600 1.614 20 30 JDEDRO CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C2CC2)[NH+](C)C)c1 ZINC001503378516 1071634248 /nfs/dbraw/zinc/63/42/48/1071634248.db2.gz BWROSSPGXZOKGM-UGKGYDQZSA-N 1 0 475.594 1.978 20 30 JDEDRO CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001503379252 1071634257 /nfs/dbraw/zinc/63/42/57/1071634257.db2.gz JUFAMIXXLNBFMD-ICSRJNTNSA-N 1 0 499.597 1.820 20 30 JDEDRO CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](c2ccco2)[NH+](C)C)c1 ZINC001503379254 1071634876 /nfs/dbraw/zinc/63/48/76/1071634876.db2.gz JUFAMIXXLNBFMD-UYAOXDASSA-N 1 0 499.597 1.820 20 30 JDEDRO C[NH+](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)c1ccsc1 ZINC001503381969 1071638329 /nfs/dbraw/zinc/63/83/29/1071638329.db2.gz MSNBSHXSAAYFPT-RTBURBONSA-N 1 0 493.659 1.715 20 30 JDEDRO C[NH+](C)[C@]1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)CCSC1 ZINC001503385599 1071643250 /nfs/dbraw/zinc/64/32/50/1071643250.db2.gz HDWBZMVZUJRGEP-UTKZUKDTSA-N 1 0 497.691 1.178 20 30 JDEDRO CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001503396096 1071655457 /nfs/dbraw/zinc/65/54/57/1071655457.db2.gz ZIPPYYQJTZELHF-UHFFFAOYSA-N 1 0 452.607 1.615 20 30 JDEDRO C[NH+](C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001503398500 1071657958 /nfs/dbraw/zinc/65/79/58/1071657958.db2.gz MLZSTJCIXDPCIH-UHFFFAOYSA-N 1 0 475.619 1.398 20 30 JDEDRO COCCC[N@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@@](F)(C#N)C1 ZINC001504815226 1071687640 /nfs/dbraw/zinc/68/76/40/1071687640.db2.gz REARPNZRTVCYJO-HSZRJFAPSA-N 1 0 468.537 1.602 20 30 JDEDRO COCCC[N@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 ZINC001504818267 1071699513 /nfs/dbraw/zinc/69/95/13/1071699513.db2.gz DJHSLRISEYNJDN-QHCPKHFHSA-N 1 0 471.585 1.862 20 30 JDEDRO COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001504830577 1071713917 /nfs/dbraw/zinc/71/39/17/1071713917.db2.gz ZJVGPBJMDNPOAQ-OAQYLSRUSA-N 1 0 467.574 1.508 20 30 JDEDRO CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC[NH+]1CCCCC1 ZINC001503439058 1071748165 /nfs/dbraw/zinc/74/81/65/1071748165.db2.gz KFCNLYYKEFGACD-UHFFFAOYSA-N 1 0 467.574 1.510 20 30 JDEDRO COCC[N@H+](C)CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 ZINC001504851026 1071749469 /nfs/dbraw/zinc/74/94/69/1071749469.db2.gz MRWWJEIYKPCKRB-FDDCHVKYSA-N 1 0 495.600 1.997 20 30 JDEDRO COCC[N@H+](C)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001504852128 1071753671 /nfs/dbraw/zinc/75/36/71/1071753671.db2.gz NIKBWZSVVOANFT-UHFFFAOYSA-N 1 0 498.607 1.820 20 30 JDEDRO COCC[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001504853585 1071758833 /nfs/dbraw/zinc/75/88/33/1071758833.db2.gz GNQXOSMOIJQXHL-SFHVURJKSA-N 1 0 479.507 1.900 20 30 JDEDRO COCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC001504855508 1071766123 /nfs/dbraw/zinc/76/61/23/1071766123.db2.gz RAAHKRILNINKDL-OAQYLSRUSA-N 1 0 494.644 1.528 20 30 JDEDRO COCC[N@H+](C)CCn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001504859102 1071785820 /nfs/dbraw/zinc/78/58/20/1071785820.db2.gz SGBNVIKGJGMUIJ-LJQANCHMSA-N 1 0 467.622 1.966 20 30 JDEDRO CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001503479034 1071800047 /nfs/dbraw/zinc/80/00/47/1071800047.db2.gz SWDRBCRRBVJENH-UHFFFAOYSA-N 1 0 464.618 1.935 20 30 JDEDRO COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1([NH+](C)C)CCOCC1 ZINC001504874223 1071806321 /nfs/dbraw/zinc/80/63/21/1071806321.db2.gz PVXFZSLMEMWPJQ-OAQYLSRUSA-N 1 0 481.601 1.865 20 30 JDEDRO COCCN(CCC#N)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001504887180 1071810789 /nfs/dbraw/zinc/81/07/89/1071810789.db2.gz OCSTUEXSYCGYCX-IEGUWTFLSA-N 1 0 477.610 1.482 20 30 JDEDRO COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001504910996 1071866148 /nfs/dbraw/zinc/86/61/48/1071866148.db2.gz OVHSREYDNIOZPW-UHFFFAOYSA-N 1 0 480.661 1.859 20 30 JDEDRO COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001504912964 1071871771 /nfs/dbraw/zinc/87/17/71/1071871771.db2.gz DOFBFLUQJNYFNV-HSZRJFAPSA-N 1 0 467.618 1.942 20 30 JDEDRO COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC001504913964 1071873683 /nfs/dbraw/zinc/87/36/83/1071873683.db2.gz OZMZNHJUWCIEKK-BGYRXZFFSA-N 1 0 481.601 1.611 20 30 JDEDRO 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471.627 1.989 20 30 JDEDRO C#CCN(c1nnc([C@H]2CCOC2)n1CCCC[NH+]1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507633972 1072706332 /nfs/dbraw/zinc/70/63/32/1072706332.db2.gz VXURCZJEAYNULH-LEWJYISDSA-N 1 0 463.648 1.921 20 30 JDEDRO C#CCN(c1nnc(Cc2ccsc2)n1CCCC[NH+]1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507635303 1072711800 /nfs/dbraw/zinc/71/18/00/1072711800.db2.gz ROINGZSMGQTHBC-HXUWFJFHSA-N 1 0 477.656 1.670 20 30 JDEDRO C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCC[N@H+]1CCCO)[C@H]1CCS(=O)(=O)C1 ZINC001507635619 1072713194 /nfs/dbraw/zinc/71/31/94/1072713194.db2.gz XVMWGWAMHJDNFY-YADHBBJMSA-N 1 0 489.617 1.482 20 30 JDEDRO C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[N@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC001507637145 1072716355 /nfs/dbraw/zinc/71/63/55/1072716355.db2.gz IFRCFPJRLMKFAZ-MUGJNUQGSA-N 1 0 465.620 1.113 20 30 JDEDRO C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001507638445 1072721396 /nfs/dbraw/zinc/72/13/96/1072721396.db2.gz 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UQJJLCAKYIOGAT-VXKWHMMOSA-N 1 0 488.658 1.481 20 30 JDEDRO C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001507660633 1072750483 /nfs/dbraw/zinc/75/04/83/1072750483.db2.gz XJBNXBXHKRWBGY-LJQANCHMSA-N 1 0 468.627 1.450 20 30 JDEDRO C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001507661848 1072751432 /nfs/dbraw/zinc/75/14/32/1072751432.db2.gz KVLXSNONROWULW-XMMPIXPASA-N 1 0 453.543 1.500 20 30 JDEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CC[NH+](CC)CC1 ZINC001507668881 1072754494 /nfs/dbraw/zinc/75/44/94/1072754494.db2.gz DXWNYANAPNCIFW-OAQYLSRUSA-N 1 0 460.648 1.061 20 30 JDEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001507669691 1072754665 /nfs/dbraw/zinc/75/46/65/1072754665.db2.gz PNUFNSSORWAKQT-NLFFAJNJSA-N 1 0 470.618 1.922 20 30 JDEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001507670135 1072755049 /nfs/dbraw/zinc/75/50/49/1072755049.db2.gz YANLCODOAAMJCJ-RPWUZVMVSA-N 1 0 495.649 1.648 20 30 JDEDRO C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001507670221 1072755230 /nfs/dbraw/zinc/75/52/30/1072755230.db2.gz ZURPBPDFYVUBDB-OAQYLSRUSA-N 1 0 469.611 1.632 20 30 JDEDRO C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001507670133 1072755236 /nfs/dbraw/zinc/75/52/36/1072755236.db2.gz YANLCODOAAMJCJ-BJKOFHAPSA-N 1 0 495.649 1.648 20 30 JDEDRO C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001507670926 1072756220 /nfs/dbraw/zinc/75/62/20/1072756220.db2.gz DXASJAFWJNHOGL-HBMCJLEFSA-N 1 0 476.647 1.194 20 30 JDEDRO C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 ZINC001507678590 1072758276 /nfs/dbraw/zinc/75/82/76/1072758276.db2.gz KRYPXJCYAQDQCS-FDDCHVKYSA-N 1 0 454.579 1.890 20 30 JDEDRO C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001507688488 1072760137 /nfs/dbraw/zinc/76/01/37/1072760137.db2.gz BMJDVZYEJWBTAB-WOJBJXKFSA-N 1 0 466.652 1.439 20 30 JDEDRO C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001507694169 1072763745 /nfs/dbraw/zinc/76/37/45/1072763745.db2.gz KKLJNTDENNRKDZ-UHFFFAOYSA-N 1 0 450.591 1.445 20 30 JDEDRO C#CCN(CCOC)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001507705731 1072766851 /nfs/dbraw/zinc/76/68/51/1072766851.db2.gz GGBUOVXEKXKSGW-HXUWFJFHSA-N 1 0 466.355 1.999 20 30 JDEDRO C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@]1([NH+](C)C)CCSC1 ZINC001507710294 1072768883 /nfs/dbraw/zinc/76/88/83/1072768883.db2.gz MINNHJYJKBLZRJ-XMMPIXPASA-N 1 0 481.626 1.715 20 30 JDEDRO C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001507712776 1072771811 /nfs/dbraw/zinc/77/18/11/1072771811.db2.gz OZOCCSCBJLYFMP-JOCHJYFZSA-N 1 0 466.586 1.320 20 30 JDEDRO C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001507716406 1072775125 /nfs/dbraw/zinc/77/51/25/1072775125.db2.gz QNTKRZNJHHFXNA-BGYRXZFFSA-N 1 0 459.639 1.451 20 30 JDEDRO C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001507716745 1072775973 /nfs/dbraw/zinc/77/59/73/1072775973.db2.gz UFPNOGFLFXWILH-FQEVSTJZSA-N 1 0 450.591 1.801 20 30 JDEDRO C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001507716760 1072776160 /nfs/dbraw/zinc/77/61/60/1072776160.db2.gz UJRGKBNEQYTTHL-QHCPKHFHSA-N 1 0 492.672 1.928 20 30 JDEDRO C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001507718017 1072778564 /nfs/dbraw/zinc/77/85/64/1072778564.db2.gz KVUYYEQIZKMAHL-HXUWFJFHSA-N 1 0 485.658 1.292 20 30 JDEDRO C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001507718661 1072780243 /nfs/dbraw/zinc/78/02/43/1072780243.db2.gz FRXDQTCTJRFCJZ-SANMLTNESA-N 1 0 488.677 1.963 20 30 JDEDRO C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CC[NH+](CC)CC2)CC1 ZINC001507719280 1072781910 /nfs/dbraw/zinc/78/19/10/1072781910.db2.gz MPLCGGPCANXIRP-RUZDIDTESA-N 1 0 473.666 1.102 20 30 JDEDRO C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001507719790 1072782177 /nfs/dbraw/zinc/78/21/77/1072782177.db2.gz AWPMTZZSUONMDT-SJLPKXTDSA-N 1 0 465.649 1.008 20 30 JDEDRO C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001507719794 1072782495 /nfs/dbraw/zinc/78/24/95/1072782495.db2.gz AWPMTZZSUONMDT-WMZOPIPTSA-N 1 0 465.649 1.008 20 30 JDEDRO C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001507723482 1072791065 /nfs/dbraw/zinc/79/10/65/1072791065.db2.gz JVPKZFSTPFNVQF-LJQANCHMSA-N 1 0 462.602 1.678 20 30 JDEDRO C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCN2CC[NH+](CC)CC2)CC1 ZINC001507724747 1072792894 /nfs/dbraw/zinc/79/28/94/1072792894.db2.gz WOQFHBXBRSLENL-UHFFFAOYSA-N 1 0 465.646 1.660 20 30 JDEDRO C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001507726620 1072795080 /nfs/dbraw/zinc/79/50/80/1072795080.db2.gz JKWXDYGFNGYFIB-UHFFFAOYSA-N 1 0 455.632 1.757 20 30 JDEDRO C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001507731186 1072800120 /nfs/dbraw/zinc/80/01/20/1072800120.db2.gz CNOBMDLMKJMMDJ-HBMCJLEFSA-N 1 0 462.664 1.303 20 30 JDEDRO C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001507731188 1072800194 /nfs/dbraw/zinc/80/01/94/1072800194.db2.gz CNOBMDLMKJMMDJ-PCCBWWKXSA-N 1 0 462.664 1.303 20 30 JDEDRO C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001507731439 1072800443 /nfs/dbraw/zinc/80/04/43/1072800443.db2.gz IRRIKQKFQGQPNU-PCCBWWKXSA-N 1 0 476.691 1.692 20 30 JDEDRO C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001507731440 1072800474 /nfs/dbraw/zinc/80/04/74/1072800474.db2.gz IRRIKQKFQGQPNU-QHAWAJNXSA-N 1 0 476.691 1.692 20 30 JDEDRO C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001507731718 1072800973 /nfs/dbraw/zinc/80/09/73/1072800973.db2.gz AXYGRTZIHDPDLC-UHFFFAOYSA-N 1 0 470.593 1.987 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CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001502264251 1069969982 /nfs/dbraw/zinc/96/99/82/1069969982.db2.gz WYMOOGVSDNDZTF-IRXDYDNUSA-N 1 0 461.592 1.197 20 30 JDEDRO CC[NH+]1CCC(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)CC1 ZINC001502268514 1069980856 /nfs/dbraw/zinc/98/08/56/1069980856.db2.gz GPQKQRSLLUYFIL-NRFANRHFSA-N 1 0 493.678 1.863 20 30 JDEDRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001502271620 1069993503 /nfs/dbraw/zinc/99/35/03/1069993503.db2.gz JAYYIOSVJUUJSK-CTNGQTDRSA-N 1 0 468.606 1.937 20 30 JDEDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(=O)COC)CC2)C1 ZINC001502273821 1070000133 /nfs/dbraw/zinc/00/01/33/1070000133.db2.gz WUFQLQPQDGLSEA-LJQANCHMSA-N 1 0 451.575 1.890 20 30 JDEDRO C[N@@H+]1CCN(CCNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1(C)C ZINC001478519806 1070011204 /nfs/dbraw/zinc/01/12/04/1070011204.db2.gz HQSUJAWGJZTUEE-UHFFFAOYSA-N 1 0 456.570 1.723 20 30 JDEDRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001502291069 1070029624 /nfs/dbraw/zinc/02/96/24/1070029624.db2.gz UOVOAFPPPVYDHJ-SVFBPWRDSA-N 1 0 468.558 1.573 20 30 JDEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001502293344 1070036793 /nfs/dbraw/zinc/03/67/93/1070036793.db2.gz CVYQLSFGVOUPCP-QFIPXVFZSA-N 1 0 492.628 1.864 20 30 JDEDRO COc1ccc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1S(N)(=O)=O ZINC001478755494 1070048866 /nfs/dbraw/zinc/04/88/66/1070048866.db2.gz PEUYBKUHILCYKL-UHFFFAOYSA-N 1 0 457.556 1.678 20 30 JDEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001502310759 1070075739 /nfs/dbraw/zinc/07/57/39/1070075739.db2.gz FXNKIVRURNDMGD-FQEVSTJZSA-N 1 0 480.617 1.138 20 30 JDEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001502310481 1070074419 /nfs/dbraw/zinc/07/44/19/1070074419.db2.gz AFDYRRSWRKFQAX-GHTZIAJQSA-N 1 0 450.591 1.544 20 30 JDEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502310602 1070074602 /nfs/dbraw/zinc/07/46/02/1070074602.db2.gz CKIWBIQETHSZFF-CVDCTZTESA-N 1 0 480.617 1.184 20 30 JDEDRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001502315803 1070106577 /nfs/dbraw/zinc/10/65/77/1070106577.db2.gz VEBILZPGILOCER-FQEVSTJZSA-N 1 0 494.644 1.860 20 30 JDEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1C ZINC001502320789 1070140315 /nfs/dbraw/zinc/14/03/15/1070140315.db2.gz OVAQQNVMCPGTSB-KRWDZBQOSA-N 1 0 458.588 1.287 20 30 JDEDRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001502323778 1070141770 /nfs/dbraw/zinc/14/17/70/1070141770.db2.gz ZQLOXFIPJSFRRB-UYAOXDASSA-N 1 0 451.575 1.842 20 30 JDEDRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001502323777 1070142160 /nfs/dbraw/zinc/14/21/60/1070142160.db2.gz ZQLOXFIPJSFRRB-QUCCMNQESA-N 1 0 451.575 1.842 20 30 JDEDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502339795 1070219378 /nfs/dbraw/zinc/21/93/78/1070219378.db2.gz BZEVCZBSHNXXMG-UGKGYDQZSA-N 1 0 480.617 1.042 20 30 JDEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502340789 1070223026 /nfs/dbraw/zinc/22/30/26/1070223026.db2.gz JGIPDKGJKQLPBU-LJQANCHMSA-N 1 0 450.591 1.369 20 30 JDEDRO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001493168368 1070228605 /nfs/dbraw/zinc/22/86/05/1070228605.db2.gz DKVJOBWJKCQHDV-WIYYLYMNSA-N 1 0 478.601 1.426 20 30 JDEDRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 ZINC001502342817 1070231074 /nfs/dbraw/zinc/23/10/74/1070231074.db2.gz FFPGTEHTXKNSSF-NRFANRHFSA-N 1 0 496.708 1.990 20 30 JDEDRO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1 ZINC001502343235 1070234806 /nfs/dbraw/zinc/23/48/06/1070234806.db2.gz LSNYEBVFCBJWPN-AZUAARDMSA-N 1 0 463.652 1.194 20 30 JDEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502345803 1070251617 /nfs/dbraw/zinc/25/16/17/1070251617.db2.gz FSONTMIBCNYIEL-OAQYLSRUSA-N 1 0 494.644 1.671 20 30 JDEDRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001502346857 1070258326 /nfs/dbraw/zinc/25/83/26/1070258326.db2.gz PIJJFCWPSOTHKP-FXAWDEMLSA-N 1 0 458.636 1.636 20 30 JDEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001502346859 1070257811 /nfs/dbraw/zinc/25/78/11/1070257811.db2.gz PIJJFCWPSOTHKP-XLIONFOSSA-N 1 0 458.636 1.636 20 30 JDEDRO CCN1CC[NH+](CCCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001502349128 1070265322 /nfs/dbraw/zinc/26/53/22/1070265322.db2.gz NTJWXIBUUTUUMR-JOCHJYFZSA-N 1 0 485.658 1.858 20 30 JDEDRO CCN1CC[NH+](CCCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001502349129 1070265952 /nfs/dbraw/zinc/26/59/52/1070265952.db2.gz NTJWXIBUUTUUMR-QFIPXVFZSA-N 1 0 485.658 1.858 20 30 JDEDRO CCN1CC[NH+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001502354138 1070280377 /nfs/dbraw/zinc/28/03/77/1070280377.db2.gz AACSTCLIHFDLQH-RUZDIDTESA-N 1 0 464.618 1.807 20 30 JDEDRO CCN1CC[NH+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502355388 1070288609 /nfs/dbraw/zinc/28/86/09/1070288609.db2.gz XKSLGWMBJHJMEB-JOCHJYFZSA-N 1 0 464.618 1.807 20 30 JDEDRO CCN1CC[NH+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001502355541 1070288764 /nfs/dbraw/zinc/28/87/64/1070288764.db2.gz ZKCCDAMHQRJDAV-UHFFFAOYSA-N 1 0 464.618 1.949 20 30 JDEDRO CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001502426698 1070373977 /nfs/dbraw/zinc/37/39/77/1070373977.db2.gz KHSZTASQSJFQSF-UHFFFAOYSA-N 1 0 496.685 1.902 20 30 JDEDRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494088004 1070388753 /nfs/dbraw/zinc/38/87/53/1070388753.db2.gz QVYQEDMCJDNCRY-QOIOWGMHSA-N 1 0 471.603 1.218 20 30 JDEDRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001494088001 1070388992 /nfs/dbraw/zinc/38/89/92/1070388992.db2.gz QVYQEDMCJDNCRY-IHSNIMORSA-N 1 0 471.603 1.218 20 30 JDEDRO C[C@@H]1C[NH+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C[C@@H](C)O1 ZINC001494099965 1070394632 /nfs/dbraw/zinc/39/46/32/1070394632.db2.gz MDTXGRKQNBMFBN-RTBURBONSA-N 1 0 481.601 1.943 20 30 JDEDRO CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001502443902 1070426224 /nfs/dbraw/zinc/42/62/24/1070426224.db2.gz BDTVYEZJGPJKBJ-HXUWFJFHSA-N 1 0 479.633 1.694 20 30 JDEDRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001494518014 1070609201 /nfs/dbraw/zinc/60/92/01/1070609201.db2.gz GKMMTENONWVVBV-ZWKOTPCHSA-N 1 0 467.640 1.519 20 30 JDEDRO C[C@@H]1C[NH+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)C[C@@H](C)O1 ZINC001494520934 1070613873 /nfs/dbraw/zinc/61/38/73/1070613873.db2.gz WPIVOCYJMPMACR-GUDVDZBRSA-N 1 0 451.575 1.983 20 30 JDEDRO C[C@@H]1C[N@H+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)CCCO1 ZINC001494522756 1070616104 /nfs/dbraw/zinc/61/61/04/1070616104.db2.gz IKZFWAOYIMDPHB-OAQYLSRUSA-N 1 0 494.644 1.528 20 30 JDEDRO C[C@H]1C[N@H+](CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)CCCO1 ZINC001494522527 1070614778 /nfs/dbraw/zinc/61/47/78/1070614778.db2.gz DVGYXHGTXYIAJZ-SFHVURJKSA-N 1 0 460.604 1.798 20 30 JDEDRO C[C@H]1C[N@H+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)CCCO1 ZINC001494522755 1070616364 /nfs/dbraw/zinc/61/63/64/1070616364.db2.gz IKZFWAOYIMDPHB-NRFANRHFSA-N 1 0 494.644 1.528 20 30 JDEDRO CCO[C@@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@H](C)[NH+](C)C)CCOC1 ZINC001502719307 1070827575 /nfs/dbraw/zinc/82/75/75/1070827575.db2.gz XOLQABYTSVFYIB-MBSDFSHPSA-N 1 0 454.579 1.474 20 30 JDEDRO CC[C@@H](C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001496117387 1070831183 /nfs/dbraw/zinc/83/11/83/1070831183.db2.gz SKRXKOHZSACPKM-QZTJIDSGSA-N 1 0 489.650 1.212 20 30 JDEDRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001496187708 1070833348 /nfs/dbraw/zinc/83/33/48/1070833348.db2.gz IFFOTHBCZCPZKZ-FXAWDEMLSA-N 1 0 455.563 1.410 20 30 JDEDRO CC[C@@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001496187130 1070833430 /nfs/dbraw/zinc/83/34/30/1070833430.db2.gz FLVGBWLDDKCYOZ-GOSISDBHSA-N 1 0 494.600 1.980 20 30 JDEDRO COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCC[NH+]2CCOCC2)cc1OC ZINC001504203875 1070883950 /nfs/dbraw/zinc/88/39/50/1070883950.db2.gz WTKSSEVDYHNYOD-LJQANCHMSA-N 1 0 456.547 1.803 20 30 JDEDRO COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCC[NH+]2CCOCC2)cc1OC ZINC001504203874 1070884048 /nfs/dbraw/zinc/88/40/48/1070884048.db2.gz WTKSSEVDYHNYOD-IBGZPJMESA-N 1 0 456.547 1.803 20 30 JDEDRO CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001503103760 1071054821 /nfs/dbraw/zinc/05/48/21/1071054821.db2.gz NDFFAHIDAUIFOM-JOCHJYFZSA-N 1 0 456.620 1.845 20 30 JDEDRO 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1.428 20 30 JDEDRO CN(C)C(=O)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001503367063 1071594853 /nfs/dbraw/zinc/59/48/53/1071594853.db2.gz KBKUSYLKHCFDFW-XMMPIXPASA-N 1 0 468.581 1.563 20 30 JDEDRO CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](C2CC2)[NH+](C)C)c1 ZINC001503378513 1071633363 /nfs/dbraw/zinc/63/33/63/1071633363.db2.gz BWROSSPGXZOKGM-DENIHFKCSA-N 1 0 475.594 1.978 20 30 JDEDRO C[NH+](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1)C1CC1 ZINC001503379339 1071634742 /nfs/dbraw/zinc/63/47/42/1071634742.db2.gz KYGNJCHIRHOEMH-HXUWFJFHSA-N 1 0 457.604 1.629 20 30 JDEDRO C[NH+](C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1)c1ccco1 ZINC001503381512 1071636937 /nfs/dbraw/zinc/63/69/37/1071636937.db2.gz KYKJSWKSPVKKDM-HKUYNNGSSA-N 1 0 491.618 1.637 20 30 JDEDRO COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001504753436 1071637544 /nfs/dbraw/zinc/63/75/44/1071637544.db2.gz FMTIGHQZTJFZCN-QPPBQGQZSA-N 1 0 454.575 1.905 20 30 JDEDRO C[NH+](C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)c1ccsc1 ZINC001503381949 1071638167 /nfs/dbraw/zinc/63/81/67/1071638167.db2.gz MSNBSHXSAAYFPT-OALUTQOASA-N 1 0 493.659 1.715 20 30 JDEDRO C[NH+](C)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)c1ccsc1 ZINC001503381959 1071638230 /nfs/dbraw/zinc/63/82/30/1071638230.db2.gz MSNBSHXSAAYFPT-RBUKOAKNSA-N 1 0 493.659 1.715 20 30 JDEDRO C[NH+](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)c1ccsc1 ZINC001503383488 1071639000 /nfs/dbraw/zinc/63/90/00/1071639000.db2.gz SJUWLVHWHCFSMS-MBOZVWFJSA-N 1 0 497.622 1.417 20 30 JDEDRO COCC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001504755780 1071643217 /nfs/dbraw/zinc/64/32/17/1071643217.db2.gz KOPWBUDFUBCMEK-PXDATVDWSA-N 1 0 481.601 1.601 20 30 JDEDRO C[NH+](C)[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCSC1 ZINC001503386266 1071643915 /nfs/dbraw/zinc/64/39/15/1071643915.db2.gz POLUTFUFNGGDHP-QFIPXVFZSA-N 1 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CN(C)S(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001503407410 1071685133 /nfs/dbraw/zinc/68/51/33/1071685133.db2.gz VFESHSHTUABVBI-UHFFFAOYSA-N 1 0 496.641 1.759 20 30 JDEDRO CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC[N@@H+]1CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC001503415517 1071704133 /nfs/dbraw/zinc/70/41/33/1071704133.db2.gz MCXDZUDWADUWFA-WOJBJXKFSA-N 1 0 458.588 1.287 20 30 JDEDRO CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[N@@H+]1CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC001503415516 1071704258 /nfs/dbraw/zinc/70/42/58/1071704258.db2.gz MCXDZUDWADUWFA-VQTJNVASSA-N 1 0 458.588 1.287 20 30 JDEDRO COCC[N@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001504850220 1071747192 /nfs/dbraw/zinc/74/71/92/1071747192.db2.gz CYVHNECFJRHVJO-UHFFFAOYSA-N 1 0 496.616 1.359 20 30 JDEDRO COCC[N@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001504851308 1071750155 /nfs/dbraw/zinc/75/01/55/1071750155.db2.gz KZIMXULOIOYVQI-QHCPKHFHSA-N 1 0 472.615 1.800 20 30 JDEDRO COCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001504853752 1071760093 /nfs/dbraw/zinc/76/00/93/1071760093.db2.gz AMGRMYJENOHDGO-SIKLNZKXSA-N 1 0 453.591 1.552 20 30 JDEDRO COCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001504853747 1071760476 /nfs/dbraw/zinc/76/04/76/1071760476.db2.gz AMGRMYJENOHDGO-DENIHFKCSA-N 1 0 453.591 1.552 20 30 JDEDRO COCC[N@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N ZINC001504857428 1071776100 /nfs/dbraw/zinc/77/61/00/1071776100.db2.gz LDJXBKBTNUPJGP-ROUUACIJSA-N 1 0 465.599 1.903 20 30 JDEDRO COCC[N@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N ZINC001504857427 1071776736 /nfs/dbraw/zinc/77/67/36/1071776736.db2.gz LDJXBKBTNUPJGP-QZTJIDSGSA-N 1 0 465.599 1.903 20 30 JDEDRO COCC[N@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001504857629 1071777508 /nfs/dbraw/zinc/77/75/08/1071777508.db2.gz NRIZWVGCVYFJLR-GOSISDBHSA-N 1 0 459.545 1.902 20 30 JDEDRO COCC[N@H+](C)CCn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001504859101 1071785527 /nfs/dbraw/zinc/78/55/27/1071785527.db2.gz SGBNVIKGJGMUIJ-IBGZPJMESA-N 1 0 467.622 1.966 20 30 JDEDRO COCC[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001504859202 1071787659 /nfs/dbraw/zinc/78/76/59/1071787659.db2.gz WDKDJNDRZKNBBS-IBGZPJMESA-N 1 0 453.547 1.118 20 30 JDEDRO CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001503476127 1071796604 /nfs/dbraw/zinc/79/66/04/1071796604.db2.gz FXTKZOBYFQWGES-HXUWFJFHSA-N 1 0 472.615 1.799 20 30 JDEDRO COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001504912968 1071871850 /nfs/dbraw/zinc/87/18/50/1071871850.db2.gz DOFBFLUQJNYFNV-QHCPKHFHSA-N 1 0 467.618 1.942 20 30 JDEDRO C[N@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)C1CCCC1 ZINC001503610302 1071893960 /nfs/dbraw/zinc/89/39/60/1071893960.db2.gz FMGYLYNYKRWVHP-IBGZPJMESA-N 1 0 465.624 1.225 20 30 JDEDRO C[N@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C1CCCC1 ZINC001503612941 1071898783 /nfs/dbraw/zinc/89/87/83/1071898783.db2.gz IXJXEXZIAFWVSI-UHFFFAOYSA-N 1 0 458.588 1.838 20 30 JDEDRO CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503680623 1072011870 /nfs/dbraw/zinc/01/18/70/1072011870.db2.gz XNAWUZSBETZYOM-RUZDIDTESA-N 1 0 467.618 1.678 20 30 JDEDRO C[N@@H+]1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001503681489 1072013206 /nfs/dbraw/zinc/01/32/06/1072013206.db2.gz UAQMXFZRKNTJGY-XLIONFOSSA-N 1 0 466.464 1.563 20 30 JDEDRO COCCO[C@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001504983089 1072032680 /nfs/dbraw/zinc/03/26/80/1072032680.db2.gz JFWIUAKEACZPMP-CJFMBICVSA-N 1 0 483.617 1.657 20 30 JDEDRO CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1OC ZINC001505119611 1072263670 /nfs/dbraw/zinc/26/36/70/1072263670.db2.gz RJPNPURHTRBFDX-RJGXRXQPSA-N 1 0 484.601 1.936 20 30 JDEDRO 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489.646 1.372 20 30 JDEDRO C=CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001508062876 1072871719 /nfs/dbraw/zinc/87/17/19/1072871719.db2.gz RQQOSELOMHRZPG-NRFANRHFSA-N 1 0 487.674 1.594 20 30 JDEDRO C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001508079819 1072879558 /nfs/dbraw/zinc/87/95/58/1072879558.db2.gz DKKHWWXGMHCNJO-UHFFFAOYSA-N 1 0 452.607 1.637 20 30 JDEDRO C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001508085263 1072882306 /nfs/dbraw/zinc/88/23/06/1072882306.db2.gz FYCWPQAAYLMXQM-IBGZPJMESA-N 1 0 454.575 1.338 20 30 JDEDRO C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001508090621 1072886495 /nfs/dbraw/zinc/88/64/95/1072886495.db2.gz JKEXBBGPABPKQK-LJQANCHMSA-N 1 0 491.637 1.856 20 30 JDEDRO C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001508092592 1072888189 /nfs/dbraw/zinc/88/81/89/1072888189.db2.gz DAHNLWLPVDINEF-FQEVSTJZSA-N 1 0 485.564 1.041 20 30 JDEDRO 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JDEDRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCO1 ZINC001508374739 1073157322 /nfs/dbraw/zinc/15/73/22/1073157322.db2.gz IHQZJHPHKRNGBG-PKTZIBPZSA-N 1 0 481.601 1.395 20 30 JDEDRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC[N@@H+]2CCC[C@H]2CO)CCO1 ZINC001508374742 1073157540 /nfs/dbraw/zinc/15/75/40/1073157540.db2.gz IHQZJHPHKRNGBG-XZOQPEGZSA-N 1 0 481.601 1.395 20 30 JDEDRO CC(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001508376784 1073165811 /nfs/dbraw/zinc/16/58/11/1073165811.db2.gz NCBKABSMIXYPLJ-UHFFFAOYSA-N 1 0 466.590 1.526 20 30 JDEDRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCSCC2)CCO1 ZINC001508381968 1073179597 /nfs/dbraw/zinc/17/95/97/1073179597.db2.gz YSYFTZVMTLOEFP-FQEVSTJZSA-N 1 0 455.588 1.207 20 30 JDEDRO CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001508400856 1073211766 /nfs/dbraw/zinc/21/17/66/1073211766.db2.gz NBNLYNJHOCCQQY-LJQANCHMSA-N 1 0 481.601 1.944 20 30 JDEDRO C[C@@H](C#N)CN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC(=O)N1CCOCC1 ZINC001508426415 1073221662 /nfs/dbraw/zinc/22/16/62/1073221662.db2.gz FZEZUYNPEACKQV-NRFANRHFSA-N 1 0 480.617 1.097 20 30 JDEDRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001508621437 1073288183 /nfs/dbraw/zinc/28/81/83/1073288183.db2.gz ANXYDYMXPOZKSL-DQRAZIAOSA-N 1 0 464.574 1.711 20 30 JDEDRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001508621440 1073288199 /nfs/dbraw/zinc/28/81/99/1073288199.db2.gz ANXYDYMXPOZKSL-QURGRASLSA-N 1 0 464.574 1.711 20 30 JDEDRO CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C)[NH+]1CCOCC1 ZINC001508856628 1073420581 /nfs/dbraw/zinc/42/05/81/1073420581.db2.gz PNGCLZAUVPGTOI-NQIIRXRSSA-N 1 0 451.575 1.840 20 30 JDEDRO CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC001508862532 1073426465 /nfs/dbraw/zinc/42/64/65/1073426465.db2.gz DSWQPPBCECBZQL-NHCUHLMSSA-N 1 0 451.575 1.875 20 30 JDEDRO CC(C)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001509015210 1073479274 /nfs/dbraw/zinc/47/92/74/1073479274.db2.gz SIRJGINDHBQVFR-XDOYNYLZSA-N 1 0 457.579 1.477 20 30 JDEDRO CC(C)C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001509128731 1073511179 /nfs/dbraw/zinc/51/11/79/1073511179.db2.gz YSPBGNCNQOGVJL-RTBURBONSA-N 1 0 481.667 1.717 20 30 JDEDRO CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1([NH+](C)C)CCOCC1 ZINC001509216640 1073537900 /nfs/dbraw/zinc/53/79/00/1073537900.db2.gz NPYYUQOLWNJGPH-LJQANCHMSA-N 1 0 467.622 1.964 20 30 JDEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)C1 ZINC001509406001 1073585609 /nfs/dbraw/zinc/58/56/09/1073585609.db2.gz GGSPKQADQZDXTM-SLFFLAALSA-N 1 0 481.667 1.717 20 30 JDEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001509406941 1073586235 /nfs/dbraw/zinc/58/62/35/1073586235.db2.gz IGKOXVMMXSPHAU-IPMKNSEASA-N 1 0 450.609 1.277 20 30 JDEDRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001509432375 1073611027 /nfs/dbraw/zinc/61/10/27/1073611027.db2.gz HEVLPERXOKTVJM-NRFANRHFSA-N 1 0 451.575 1.875 20 30 JDEDRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001509438661 1073619978 /nfs/dbraw/zinc/61/99/78/1073619978.db2.gz ZERJXKUDRNVJQY-RXVVDRJESA-N 1 0 451.575 1.840 20 30 JDEDRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001509513075 1073658345 /nfs/dbraw/zinc/65/83/45/1073658345.db2.gz PJKFOQUWAKHASR-XMMPIXPASA-N 1 0 486.642 1.923 20 30 JDEDRO CC(C)[N@H+](C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001509518851 1073663359 /nfs/dbraw/zinc/66/33/59/1073663359.db2.gz RHURHZCRZZLTNX-NRFANRHFSA-N 1 0 489.646 1.849 20 30 JDEDRO CC(C)[NH+]1CCC(O)(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001509554554 1073679205 /nfs/dbraw/zinc/67/92/05/1073679205.db2.gz HCQYVHOSMYMLJS-FQEVSTJZSA-N 1 0 458.538 1.960 20 30 JDEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164868974 721268468 /nfs/dbraw/zinc/26/84/68/721268468.db2.gz HWTHZSJVKBGZEW-UHFFFAOYSA-N 1 0 463.966 1.790 20 30 JDEDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nccnc2[C@@H](C#N)C(=O)OC(C)(C)C)CC3)CC1 ZINC001164795681 721520818 /nfs/dbraw/zinc/52/08/18/721520818.db2.gz RKNQSIRNHCTSFH-GOSISDBHSA-N 1 0 452.563 1.390 20 30 JDEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001500928667 1069331988 /nfs/dbraw/zinc/33/19/88/1069331988.db2.gz WLIPUZZMMVLYMK-LJQANCHMSA-N 1 0 457.604 1.630 20 30 JDEDRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001500954984 1069339226 /nfs/dbraw/zinc/33/92/26/1069339226.db2.gz JYLKSRNZUKZGCV-FQEVSTJZSA-N 1 0 466.590 1.922 20 30 JDEDRO CCC[N@@H+]1CC[C@H](Cn2c(COCC)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)C1 ZINC001500958449 1069340222 /nfs/dbraw/zinc/34/02/22/1069340222.db2.gz RXQKZZXPAAXNAH-MOPGFXCFSA-N 1 0 453.595 1.923 20 30 JDEDRO CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(O)CC[N@H+](C)C2)c2ccccc2c1=O ZINC001501069603 1069374082 /nfs/dbraw/zinc/37/40/82/1069374082.db2.gz MBTGEGQGHHOCHM-BXKMTCNYSA-N 1 0 464.574 1.727 20 30 JDEDRO CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(O)CC[N@H+](C)C2)c2ccccc2c1=O ZINC001501069606 1069374381 /nfs/dbraw/zinc/37/43/81/1069374381.db2.gz MBTGEGQGHHOCHM-XDHUDOTRSA-N 1 0 464.574 1.727 20 30 JDEDRO CCCNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001501165112 1069424950 /nfs/dbraw/zinc/42/49/50/1069424950.db2.gz YVHOSCRWZUEBBV-OAQYLSRUSA-N 1 0 478.601 1.729 20 30 JDEDRO CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001501406719 1069512668 /nfs/dbraw/zinc/51/26/68/1069512668.db2.gz GEACAEGJZTVHES-GOSISDBHSA-N 1 0 451.575 1.985 20 30 JDEDRO CCN(C)C(=O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@](F)(C#N)C1 ZINC001501430549 1069530255 /nfs/dbraw/zinc/53/02/55/1069530255.db2.gz XCBMRVYHNLLMAE-DEOSSOPVSA-N 1 0 468.581 1.563 20 30 JDEDRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 ZINC001501495805 1069541531 /nfs/dbraw/zinc/54/15/31/1069541531.db2.gz PGNUNHYGCHUZNA-WOJBJXKFSA-N 1 0 458.588 1.409 20 30 JDEDRO CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)NCC#CC[NH+](C)C)c1 ZINC001475917577 1069576015 /nfs/dbraw/zinc/57/60/15/1069576015.db2.gz LEDUNVSZTSRSOK-UHFFFAOYSA-N 1 0 451.593 1.240 20 30 JDEDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC001476007808 1069587749 /nfs/dbraw/zinc/58/77/49/1069587749.db2.gz ZDFRPEJUOKOQMO-CYNURGJPSA-N 1 0 450.565 1.083 20 30 JDEDRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001501794066 1069720316 /nfs/dbraw/zinc/72/03/16/1069720316.db2.gz NATZPPHOYPYCCE-ZWKOTPCHSA-N 1 0 489.650 1.212 20 30 JDEDRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001501805510 1069734101 /nfs/dbraw/zinc/73/41/01/1069734101.db2.gz AGSGZMPSTUMYGI-GOSISDBHSA-N 1 0 475.619 1.541 20 30 JDEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)CC1 ZINC001501899167 1069758860 /nfs/dbraw/zinc/75/88/60/1069758860.db2.gz JHHMIJLVOCIZJD-UHFFFAOYSA-N 1 0 491.556 1.429 20 30 JDEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 ZINC001501901185 1069764015 /nfs/dbraw/zinc/76/40/15/1069764015.db2.gz HTGGSUNLLPYZGW-XMMPIXPASA-N 1 0 483.642 1.675 20 30 JDEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)CC1 ZINC001501901114 1069763154 /nfs/dbraw/zinc/76/31/54/1069763154.db2.gz DSSXQCOMHSSPCR-OAQYLSRUSA-N 1 0 451.575 1.986 20 30 JDEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001501901707 1069768833 /nfs/dbraw/zinc/76/88/33/1069768833.db2.gz WLQUUFIAGWZPNX-OAQYLSRUSA-N 1 0 492.628 1.722 20 30 JDEDRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 ZINC001501912490 1069801179 /nfs/dbraw/zinc/80/11/79/1069801179.db2.gz DFZOOIFBEVUQSI-SFTDATJTSA-N 1 0 472.615 1.799 20 30 JDEDRO CC[NH+](CC)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001501965023 1069808891 /nfs/dbraw/zinc/80/88/91/1069808891.db2.gz LXXWDHDMEPZOGN-HXUWFJFHSA-N 1 0 453.547 1.816 20 30 JDEDRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001501967626 1069809191 /nfs/dbraw/zinc/80/91/91/1069809191.db2.gz GJLJMURUCKDZEI-LJQANCHMSA-N 1 0 465.606 1.838 20 30 JDEDRO CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC[N@H+](C)CCCOC)CCN2C1=O ZINC001502214971 1069876079 /nfs/dbraw/zinc/87/60/79/1069876079.db2.gz KVMLEKZSLPZELW-HXUWFJFHSA-N 1 0 480.573 1.258 20 30 JDEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1C ZINC001502248867 1069929415 /nfs/dbraw/zinc/92/94/15/1069929415.db2.gz CSHLVLIKXORWDI-ROUUACIJSA-N 1 0 472.615 1.675 20 30 JDEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C[C@@H]1C ZINC001502252446 1069935818 /nfs/dbraw/zinc/93/58/18/1069935818.db2.gz YCAKDJBCORENAE-ZWKOTPCHSA-N 1 0 498.613 1.843 20 30 JDEDRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)C[C@@H]1C ZINC001478334836 1069967495 /nfs/dbraw/zinc/96/74/95/1069967495.db2.gz IQWIUIURBYVVQJ-OEEHMVQOSA-N 1 0 474.627 1.775 20 30 JDEDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001502271474 1069994219 /nfs/dbraw/zinc/99/42/19/1069994219.db2.gz GDRYQYRNAMEJDY-VGOFRKELSA-N 1 0 475.594 1.979 20 30 JDEDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001502272697 1069998507 /nfs/dbraw/zinc/99/85/07/1069998507.db2.gz AQKQXYGFCIOMBB-HXUWFJFHSA-N 1 0 450.591 1.369 20 30 JDEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 ZINC001502295787 1070036829 /nfs/dbraw/zinc/03/68/29/1070036829.db2.gz YTQRVOPQIFAXMR-NRFANRHFSA-N 1 0 451.575 1.986 20 30 JDEDRO CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC001502303452 1070052111 /nfs/dbraw/zinc/05/21/11/1070052111.db2.gz XQHHIUSBPVFIBM-IBGZPJMESA-N 1 0 451.575 1.844 20 30 JDEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001502310484 1070074694 /nfs/dbraw/zinc/07/46/94/1070074694.db2.gz AFDYRRSWRKFQAX-WIYYLYMNSA-N 1 0 450.591 1.544 20 30 JDEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502310604 1070075073 /nfs/dbraw/zinc/07/50/73/1070075073.db2.gz CKIWBIQETHSZFF-XXBNENTESA-N 1 0 480.617 1.184 20 30 JDEDRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 ZINC001502312242 1070083567 /nfs/dbraw/zinc/08/35/67/1070083567.db2.gz IWIZAWQOIZIFMH-NQIIRXRSSA-N 1 0 450.591 1.763 20 30 JDEDRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502315245 1070099173 /nfs/dbraw/zinc/09/91/73/1070099173.db2.gz JTXLBABDJCAEAN-IBGZPJMESA-N 1 0 480.617 1.456 20 30 JDEDRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001502315595 1070102473 /nfs/dbraw/zinc/10/24/73/1070102473.db2.gz QZBAYWOJKZGWJT-FQEVSTJZSA-N 1 0 496.616 1.643 20 30 JDEDRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001502315804 1070106730 /nfs/dbraw/zinc/10/67/30/1070106730.db2.gz VEBILZPGILOCER-HXUWFJFHSA-N 1 0 494.644 1.860 20 30 JDEDRO CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001502334856 1070189827 /nfs/dbraw/zinc/18/98/27/1070189827.db2.gz TXOZLMWSJYNQKD-NRFANRHFSA-N 1 0 450.591 1.511 20 30 JDEDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001502340884 1070222862 /nfs/dbraw/zinc/22/28/62/1070222862.db2.gz KOOMPUQFJYLQKN-DFBJGRDBSA-N 1 0 464.618 1.792 20 30 JDEDRO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001493168367 1070229664 /nfs/dbraw/zinc/22/96/64/1070229664.db2.gz DKVJOBWJKCQHDV-RXVVDRJESA-N 1 0 478.601 1.426 20 30 JDEDRO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001502342774 1070233035 /nfs/dbraw/zinc/23/30/35/1070233035.db2.gz DQRULKKDOLPPGY-NZQKXSOJSA-N 1 0 499.685 1.962 20 30 JDEDRO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1 ZINC001502343236 1070234175 /nfs/dbraw/zinc/23/41/75/1070234175.db2.gz LSNYEBVFCBJWPN-ICSRJNTNSA-N 1 0 463.652 1.194 20 30 JDEDRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502345802 1070253136 /nfs/dbraw/zinc/25/31/36/1070253136.db2.gz FSONTMIBCNYIEL-NRFANRHFSA-N 1 0 494.644 1.671 20 30 JDEDRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001502346858 1070258511 /nfs/dbraw/zinc/25/85/11/1070258511.db2.gz PIJJFCWPSOTHKP-PXNSSMCTSA-N 1 0 458.636 1.636 20 30 JDEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001502346860 1070258597 /nfs/dbraw/zinc/25/85/97/1070258597.db2.gz PIJJFCWPSOTHKP-YLJYHZDGSA-N 1 0 458.636 1.636 20 30 JDEDRO CCN1CC[NH+](CCCCn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502348835 1070263811 /nfs/dbraw/zinc/26/38/11/1070263811.db2.gz DSNPIZKHFYNXAB-HXUWFJFHSA-N 1 0 464.618 1.901 20 30 JDEDRO CCN1CC[NH+](CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 ZINC001502349017 1070263972 /nfs/dbraw/zinc/26/39/72/1070263972.db2.gz KJVNOSADFDUIOF-GOSISDBHSA-N 1 0 466.656 1.046 20 30 JDEDRO CCN1CC[NH+](CCCCn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502348834 1070264385 /nfs/dbraw/zinc/26/43/85/1070264385.db2.gz DSNPIZKHFYNXAB-FQEVSTJZSA-N 1 0 464.618 1.901 20 30 JDEDRO CC[NH+]1CCN(CCCn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001502355935 1070287024 /nfs/dbraw/zinc/28/70/24/1070287024.db2.gz CTNZKWFJTZPGBD-IBGZPJMESA-N 1 0 477.617 1.815 20 30 JDEDRO CC[NH+]1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001502355246 1070286634 /nfs/dbraw/zinc/28/66/34/1070286634.db2.gz VJNYKMGTZRDHMU-NRFANRHFSA-N 1 0 471.631 1.468 20 30 JDEDRO CC[NH+]1CCN(CCCn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001502355936 1070287679 /nfs/dbraw/zinc/28/76/79/1070287679.db2.gz CTNZKWFJTZPGBD-LJQANCHMSA-N 1 0 477.617 1.815 20 30 JDEDRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001493786618 1070344549 /nfs/dbraw/zinc/34/45/49/1070344549.db2.gz XSMNARFEGJDEGW-SVFBPWRDSA-N 1 0 492.694 1.577 20 30 JDEDRO C[C@@H]1CCC[N@H+](CCCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001493792685 1070345587 /nfs/dbraw/zinc/34/55/87/1070345587.db2.gz MORNKLSXQXHVFZ-WOIUINJBSA-N 1 0 497.641 1.565 20 30 JDEDRO C[C@H]1CCC[N@H+](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001493808747 1070354214 /nfs/dbraw/zinc/35/42/14/1070354214.db2.gz LQTZRQIVPSKXBS-NRFANRHFSA-N 1 0 494.644 1.671 20 30 JDEDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001493843252 1070357429 /nfs/dbraw/zinc/35/74/29/1070357429.db2.gz OEVUOETUJAYBLX-QGZVFWFLSA-N 1 0 457.604 1.819 20 30 JDEDRO C[C@H]1CCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001493853437 1070362180 /nfs/dbraw/zinc/36/21/80/1070362180.db2.gz ILIFYUKHFKTPFA-SFHVURJKSA-N 1 0 487.630 1.731 20 30 JDEDRO CC1CC[NH+](CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001494074993 1070385006 /nfs/dbraw/zinc/38/50/06/1070385006.db2.gz WLKVPPONFFUKNX-UHFFFAOYSA-N 1 0 451.575 1.844 20 30 JDEDRO C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC(=O)N1C ZINC001494481090 1070600250 /nfs/dbraw/zinc/60/02/50/1070600250.db2.gz ZBEAVTCTMXJHDK-PZJWPPBQSA-N 1 0 481.601 1.633 20 30 JDEDRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001494518006 1070608993 /nfs/dbraw/zinc/60/89/93/1070608993.db2.gz GKMMTENONWVVBV-QZTJIDSGSA-N 1 0 467.640 1.519 20 30 JDEDRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001494518009 1070609336 /nfs/dbraw/zinc/60/93/36/1070609336.db2.gz GKMMTENONWVVBV-ROUUACIJSA-N 1 0 467.640 1.519 20 30 JDEDRO C[C@@H]1C[N@@H+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C[C@H](C)O1 ZINC001494520857 1070613906 /nfs/dbraw/zinc/61/39/06/1070613906.db2.gz WPIVOCYJMPMACR-GBESFXJTSA-N 1 0 451.575 1.983 20 30 JDEDRO C[C@@H]1C[N@H+](CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)CCCO1 ZINC001494522526 1070615021 /nfs/dbraw/zinc/61/50/21/1070615021.db2.gz DVGYXHGTXYIAJZ-GOSISDBHSA-N 1 0 460.604 1.798 20 30 JDEDRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001502525640 1070643691 /nfs/dbraw/zinc/64/36/91/1070643691.db2.gz XANBIQBBBAPOBY-WMZHIEFXSA-N 1 0 453.547 1.598 20 30 JDEDRO CCOC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001502534263 1070657959 /nfs/dbraw/zinc/65/79/59/1070657959.db2.gz CSACILAHDXUHGN-DVECYGJZSA-N 1 0 483.573 1.510 20 30 JDEDRO COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001504041656 1070800861 /nfs/dbraw/zinc/80/08/61/1070800861.db2.gz JTPFCMKAYQWSAR-OAQYLSRUSA-N 1 0 481.601 1.897 20 30 JDEDRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001496187131 1070833365 /nfs/dbraw/zinc/83/33/65/1070833365.db2.gz FLVGBWLDDKCYOZ-SFHVURJKSA-N 1 0 494.600 1.980 20 30 JDEDRO CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)CCOC1 ZINC001502728398 1070838712 /nfs/dbraw/zinc/83/87/12/1070838712.db2.gz HRPHTTSNQFCXRY-YZUZCNPQSA-N 1 0 470.574 1.970 20 30 JDEDRO COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CC[NH+](CCN(C)C)CC2)cc1OC ZINC001504201860 1070882235 /nfs/dbraw/zinc/88/22/35/1070882235.db2.gz BPUPHRQBRFXXBH-NRFANRHFSA-N 1 0 483.617 1.965 20 30 JDEDRO COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001504231772 1070897915 /nfs/dbraw/zinc/89/79/15/1070897915.db2.gz XHQMMSQAQWSTGN-JOCHJYFZSA-N 1 0 454.575 1.647 20 30 JDEDRO CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001503106093 1071057008 /nfs/dbraw/zinc/05/70/08/1071057008.db2.gz WHRCXSITJXHIKG-UHFFFAOYSA-N 1 0 453.591 1.860 20 30 JDEDRO COC1CC[NH+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001504492397 1071269417 /nfs/dbraw/zinc/26/94/17/1071269417.db2.gz LPXBFLLMUIDXFZ-UHFFFAOYSA-N 1 0 472.615 1.941 20 30 JDEDRO COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001504532692 1071324056 /nfs/dbraw/zinc/32/40/56/1071324056.db2.gz RTSVLEIWIQEGOI-UHFFFAOYSA-N 1 0 467.574 1.223 20 30 JDEDRO COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001504540160 1071359118 /nfs/dbraw/zinc/35/91/18/1071359118.db2.gz ZKIJFGVWSQJOLL-UHFFFAOYSA-N 1 0 481.601 1.659 20 30 JDEDRO CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001503282133 1071435003 /nfs/dbraw/zinc/43/50/03/1071435003.db2.gz NDMRUZNPZRSVPC-UHFFFAOYSA-N 1 0 495.613 1.258 20 30 JDEDRO COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001504610583 1071469093 /nfs/dbraw/zinc/46/90/93/1071469093.db2.gz CSPFNFZNNVLKSW-HXUWFJFHSA-N 1 0 485.564 1.458 20 30 JDEDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001503361205 1071575697 /nfs/dbraw/zinc/57/56/97/1071575697.db2.gz SYEUGIYEZBNUAJ-UZUQRXQVSA-N 1 0 483.552 1.310 20 30 JDEDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001503360214 1071573339 /nfs/dbraw/zinc/57/33/39/1071573339.db2.gz PFGAVEOJBBRAGT-YADARESESA-N 1 0 470.622 1.587 20 30 JDEDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001503360725 1071573935 /nfs/dbraw/zinc/57/39/35/1071573935.db2.gz QZQCKRRPDYEPRV-IUKKYPGJSA-N 1 0 456.595 1.302 20 30 JDEDRO CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001503363941 1071587046 /nfs/dbraw/zinc/58/70/46/1071587046.db2.gz AAXLOVLYNGVUJI-OAQYLSRUSA-N 1 0 478.601 1.428 20 30 JDEDRO CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001503377067 1071626026 /nfs/dbraw/zinc/62/60/26/1071626026.db2.gz JUDNAIUYWKJXTA-QHCPKHFHSA-N 1 0 494.644 1.264 20 30 JDEDRO C[NH+](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1)c1ccco1 ZINC001503381517 1071636732 /nfs/dbraw/zinc/63/67/32/1071636732.db2.gz KYKJSWKSPVKKDM-IEBWSBKVSA-N 1 0 491.618 1.637 20 30 JDEDRO C[NH+](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)c1ccsc1 ZINC001503383486 1071639086 /nfs/dbraw/zinc/63/90/86/1071639086.db2.gz SJUWLVHWHCFSMS-HLIPFELVSA-N 1 0 497.622 1.417 20 30 JDEDRO C[NH+](C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CCOCC1 ZINC001503385233 1071642693 /nfs/dbraw/zinc/64/26/93/1071642693.db2.gz FSUCONBYMPEXNS-GOSISDBHSA-N 1 0 450.609 1.421 20 30 JDEDRO C[NH+](C)[C@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)CCSC1 ZINC001503385603 1071643255 /nfs/dbraw/zinc/64/32/55/1071643255.db2.gz HDWBZMVZUJRGEP-UWJYYQICSA-N 1 0 497.691 1.178 20 30 JDEDRO CN(C)CC[NH+]1CCC(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001503399805 1071660545 /nfs/dbraw/zinc/66/05/45/1071660545.db2.gz VHIBYEABRQXCSK-LJQANCHMSA-N 1 0 458.998 1.996 20 30 JDEDRO C[NH+](C)CCOc1ccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 ZINC001503402107 1071666306 /nfs/dbraw/zinc/66/63/06/1071666306.db2.gz YMHMVHSQBSGOOR-WOJBJXKFSA-N 1 0 453.547 1.141 20 30 JDEDRO CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOCC[NH+](C)C)c1 ZINC001503402480 1071667461 /nfs/dbraw/zinc/66/74/61/1071667461.db2.gz MDLHAMQBDRQYSG-QHCPKHFHSA-N 1 0 489.646 1.904 20 30 JDEDRO C[NH+](C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 ZINC001503403295 1071669153 /nfs/dbraw/zinc/66/91/53/1071669153.db2.gz WQOPVOANFOEHEX-OAQYLSRUSA-N 1 0 450.547 1.497 20 30 JDEDRO C[NH+](C)CCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001503404327 1071670949 /nfs/dbraw/zinc/67/09/49/1071670949.db2.gz JNQPUYTUMFUOMS-FQEVSTJZSA-N 1 0 454.579 1.344 20 30 JDEDRO C[NH+](C)CCOCCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001503405509 1071674555 /nfs/dbraw/zinc/67/45/55/1071674555.db2.gz WFLPTSZVSYBFDT-UHFFFAOYSA-N 1 0 461.574 1.507 20 30 JDEDRO C[NH+](C)CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 ZINC001503405660 1071675584 /nfs/dbraw/zinc/67/55/84/1071675584.db2.gz YXYIMQSBLBALTH-OAQYLSRUSA-N 1 0 453.591 1.949 20 30 JDEDRO CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC[N@H+]2CC=CCC2)c1 ZINC001503408039 1071689206 /nfs/dbraw/zinc/68/92/06/1071689206.db2.gz ARELSPPHWMAUDL-QFIPXVFZSA-N 1 0 473.578 1.899 20 30 JDEDRO CN(c1nnc(-c2cccc(C#N)c2)n1CCCC[NH+]1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001503414091 1071702759 /nfs/dbraw/zinc/70/27/59/1071702759.db2.gz DARJGWUNKKYVTC-FQEVSTJZSA-N 1 0 458.588 1.552 20 30 JDEDRO CN(c1nnc(-c2cccc(C#N)c2)n1CCCC[NH+]1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001503414094 1071702789 /nfs/dbraw/zinc/70/27/89/1071702789.db2.gz DARJGWUNKKYVTC-HXUWFJFHSA-N 1 0 458.588 1.552 20 30 JDEDRO COCC[N@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001504849163 1071745769 /nfs/dbraw/zinc/74/57/69/1071745769.db2.gz QDCMADAWGYJVFO-HSZRJFAPSA-N 1 0 472.615 1.800 20 30 JDEDRO CN(CC(=O)N1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCC[NH+]1CCCCC1 ZINC001503438801 1071748394 /nfs/dbraw/zinc/74/83/94/1071748394.db2.gz JMLPEACQGPZPHM-UHFFFAOYSA-N 1 0 481.601 1.900 20 30 JDEDRO 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CC[NH+](CC)Cc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 ZINC001501918985 1069801921 /nfs/dbraw/zinc/80/19/21/1069801921.db2.gz MCZRGYKUHSVGOR-PXNSSMCTSA-N 1 0 475.619 1.507 20 30 JDEDRO CC[NH+](CC)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001501964934 1069808349 /nfs/dbraw/zinc/80/83/49/1069808349.db2.gz JRWYGZXNUSMHBC-OAQYLSRUSA-N 1 0 466.590 1.731 20 30 JDEDRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001501981407 1069810756 /nfs/dbraw/zinc/81/07/56/1069810756.db2.gz VURDHQNVBHXATI-MJGOQNOKSA-N 1 0 451.579 1.553 20 30 JDEDRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001501981404 1069810827 /nfs/dbraw/zinc/81/08/27/1069810827.db2.gz VURDHQNVBHXATI-IEBWSBKVSA-N 1 0 451.579 1.553 20 30 JDEDRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001501983018 1069812141 /nfs/dbraw/zinc/81/21/41/1069812141.db2.gz VOPMWRJBMSRSIX-UYAOXDASSA-N 1 0 486.646 1.504 20 30 JDEDRO 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JDEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001502271472 1069993664 /nfs/dbraw/zinc/99/36/64/1069993664.db2.gz GDRYQYRNAMEJDY-HTAPYJJXSA-N 1 0 475.594 1.979 20 30 JDEDRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001502271621 1069994135 /nfs/dbraw/zinc/99/41/35/1069994135.db2.gz JAYYIOSVJUUJSK-FPOVZHCZSA-N 1 0 468.606 1.937 20 30 JDEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001502281794 1070014726 /nfs/dbraw/zinc/01/47/26/1070014726.db2.gz NNMIMWKCPMDQJL-IBGZPJMESA-N 1 0 451.579 1.494 20 30 JDEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001502283561 1070019450 /nfs/dbraw/zinc/01/94/50/1070019450.db2.gz UKTNOXVQLUFRPD-OAQYLSRUSA-N 1 0 450.591 1.511 20 30 JDEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N ZINC001502296965 1070040743 /nfs/dbraw/zinc/04/07/43/1070040743.db2.gz RCXCRENKSNVLPD-KZNAEPCWSA-N 1 0 453.613 1.081 20 30 JDEDRO CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC001502303453 1070051919 /nfs/dbraw/zinc/05/19/19/1070051919.db2.gz XQHHIUSBPVFIBM-LJQANCHMSA-N 1 0 451.575 1.844 20 30 JDEDRO COC(=O)[C@@]1(N2CCN(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)CC2)CCOC1 ZINC001478901421 1070065681 /nfs/dbraw/zinc/06/56/81/1070065681.db2.gz KEVMFDOPIIUJBQ-XMMPIXPASA-N 1 0 455.559 1.182 20 30 JDEDRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)CC1 ZINC001502309274 1070065969 /nfs/dbraw/zinc/06/59/69/1070065969.db2.gz AXBSYBDWLXWCNX-NRFANRHFSA-N 1 0 493.660 1.641 20 30 JDEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502310601 1070074188 /nfs/dbraw/zinc/07/41/88/1070074188.db2.gz CKIWBIQETHSZFF-AUSIDOKSSA-N 1 0 480.617 1.184 20 30 JDEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CC[NH+](CC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001502311157 1070078266 /nfs/dbraw/zinc/07/82/66/1070078266.db2.gz NRWQXWNARAGUGT-DENIHFKCSA-N 1 0 485.658 1.856 20 30 JDEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CC[NH+](CC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001502311158 1070078514 /nfs/dbraw/zinc/07/85/14/1070078514.db2.gz NRWQXWNARAGUGT-KNQAVFIVSA-N 1 0 485.658 1.856 20 30 JDEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001502311063 1070077430 /nfs/dbraw/zinc/07/74/30/1070077430.db2.gz LSWKGAXQQIDGNF-XLIONFOSSA-N 1 0 454.535 1.608 20 30 JDEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001502311786 1070080681 /nfs/dbraw/zinc/08/06/81/1070080681.db2.gz ZJLOKLBJWHJKTO-HXUWFJFHSA-N 1 0 480.617 1.138 20 30 JDEDRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001502314469 1070093742 /nfs/dbraw/zinc/09/37/42/1070093742.db2.gz WCRBGKCAOYIOHH-MSOLQXFVSA-N 1 0 459.545 1.902 20 30 JDEDRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)N2CCN(c3cnccc3C#N)CC2)CC1 ZINC001479294119 1070123333 /nfs/dbraw/zinc/12/33/33/1070123333.db2.gz NIIWJTDKTQWEML-UHFFFAOYSA-N 1 0 457.579 1.774 20 30 JDEDRO 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C[NH+](C)CCOc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 ZINC001503401455 1071664133 /nfs/dbraw/zinc/66/41/33/1071664133.db2.gz LYISMFWHSIENSZ-FQEVSTJZSA-N 1 0 476.541 1.643 20 30 JDEDRO C[NH+](C)CCOc1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 ZINC001503402098 1071666226 /nfs/dbraw/zinc/66/62/26/1071666226.db2.gz YMHMVHSQBSGOOR-PMACEKPBSA-N 1 0 453.547 1.141 20 30 JDEDRO C[NH+](C)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001503404048 1071670395 /nfs/dbraw/zinc/67/03/95/1071670395.db2.gz DDZIQGKPKCSWAT-FQEVSTJZSA-N 1 0 454.579 1.691 20 30 JDEDRO COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001504798189 1071677940 /nfs/dbraw/zinc/67/79/40/1071677940.db2.gz NAEYSNZNMVGKSN-UHFFFAOYSA-N 1 0 451.575 1.988 20 30 JDEDRO CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001503437376 1071741704 /nfs/dbraw/zinc/74/17/04/1071741704.db2.gz VESMCDYMHYNEAM-HSZRJFAPSA-N 1 0 469.615 1.549 20 30 JDEDRO 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C=CC[NH+](CC=C)[C@@H](CNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(C)C ZINC001464874036 1067679736 /nfs/dbraw/zinc/67/97/36/1067679736.db2.gz XPIQWWXHBCUIIC-AWEZNQCLSA-N 1 0 451.369 1.707 20 30 JDEDRO CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC001465887699 1067839771 /nfs/dbraw/zinc/83/97/71/1067839771.db2.gz ILQBSKRFLOFQSK-MJGOQNOKSA-N 1 0 450.605 1.493 20 30 JDEDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)nc2)C1 ZINC001466190357 1067868674 /nfs/dbraw/zinc/86/86/74/1067868674.db2.gz ADCLLYBEZZJKFJ-KRWDZBQOSA-N 1 0 456.572 1.679 20 30 JDEDRO C[NH+](C)CCOc1cc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)ccn1 ZINC001466553981 1067892589 /nfs/dbraw/zinc/89/25/89/1067892589.db2.gz ODUHHIRXGCVFQJ-IBGZPJMESA-N 1 0 450.499 1.415 20 30 JDEDRO Cc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1S(=O)(=O)NCC#N ZINC001466813753 1067926343 /nfs/dbraw/zinc/92/63/43/1067926343.db2.gz RUZBKANDBNWFPS-OAQYLSRUSA-N 1 0 456.568 1.684 20 30 JDEDRO 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1072810740 /nfs/dbraw/zinc/81/07/40/1072810740.db2.gz OMUNBFPGAGDHBU-UHFFFAOYSA-N 1 0 463.586 1.970 20 30 JDEDRO C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC001507738414 1072810762 /nfs/dbraw/zinc/81/07/62/1072810762.db2.gz OMRCPYVRXBPFKB-FQEVSTJZSA-N 1 0 450.591 1.965 20 30 JDEDRO C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CC[N@@H+](C)CCCC)CC1 ZINC001507738526 1072810777 /nfs/dbraw/zinc/81/07/77/1072810777.db2.gz QPHSNCXJIKDCKU-UHFFFAOYSA-N 1 0 469.590 1.704 20 30 JDEDRO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001507738796 1072811409 /nfs/dbraw/zinc/81/14/09/1072811409.db2.gz YVFGAQAYOWFDDM-SIKLNZKXSA-N 1 0 477.613 1.716 20 30 JDEDRO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001507738794 1072811563 /nfs/dbraw/zinc/81/15/63/1072811563.db2.gz YVFGAQAYOWFDDM-DENIHFKCSA-N 1 0 477.613 1.716 20 30 JDEDRO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001507739550 1072813330 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/nfs/dbraw/zinc/84/77/89/1072847789.db2.gz DXZFRFUDDPCYJY-PMACEKPBSA-N 1 0 482.651 1.268 20 30 JDEDRO C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001507846913 1072849457 /nfs/dbraw/zinc/84/94/57/1072849457.db2.gz BOTZNYXIVHJESA-UHFFFAOYSA-N 1 0 473.666 1.988 20 30 JDEDRO C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001507847300 1072849459 /nfs/dbraw/zinc/84/94/59/1072849459.db2.gz JNMXLLLTUJLIGK-NRFANRHFSA-N 1 0 459.639 1.598 20 30 JDEDRO C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001507897885 1072854657 /nfs/dbraw/zinc/85/46/57/1072854657.db2.gz UCVJCNBNTCYUKL-SFHVURJKSA-N 1 0 467.684 1.564 20 30 JDEDRO C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001507901616 1072854951 /nfs/dbraw/zinc/85/49/51/1072854951.db2.gz CFJKPNZRYPMUDK-OALUTQOASA-N 1 0 452.625 1.355 20 30 JDEDRO C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001507915751 1072855819 /nfs/dbraw/zinc/85/58/19/1072855819.db2.gz YOVKEQJMZXSKGH-RTBURBONSA-N 1 0 467.684 1.707 20 30 JDEDRO C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001507915748 1072855835 /nfs/dbraw/zinc/85/58/35/1072855835.db2.gz YOVKEQJMZXSKGH-MOPGFXCFSA-N 1 0 467.684 1.707 20 30 JDEDRO C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([NH+](C)C)CCOCC1 ZINC001507973277 1072862593 /nfs/dbraw/zinc/86/25/93/1072862593.db2.gz XYEGOVIJBDQRHN-UHFFFAOYSA-N 1 0 462.620 1.928 20 30 JDEDRO C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001507982106 1072863361 /nfs/dbraw/zinc/86/33/61/1072863361.db2.gz LUGRPEIRLKGIBW-FQEVSTJZSA-N 1 0 474.631 1.332 20 30 JDEDRO C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001507983186 1072863364 /nfs/dbraw/zinc/86/33/64/1072863364.db2.gz PJIUPXXHYGVYKD-HXUWFJFHSA-N 1 0 460.604 1.292 20 30 JDEDRO C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC001507993191 1072864392 /nfs/dbraw/zinc/86/43/92/1072864392.db2.gz OUNKAMQKSLGASH-JPYJTQIMSA-N 1 0 462.595 1.808 20 30 JDEDRO C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CC[NH+](CC)CC1)C1CC1 ZINC001507993204 1072864714 /nfs/dbraw/zinc/86/47/14/1072864714.db2.gz OUYNXWPWLYSCMW-MOPGFXCFSA-N 1 0 450.653 1.609 20 30 JDEDRO C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)C[NH+]1CCCCC1)C1CC1 ZINC001507993933 1072864862 /nfs/dbraw/zinc/86/48/62/1072864862.db2.gz WAROEXTUGZKKNT-AZUAARDMSA-N 1 0 466.652 1.888 20 30 JDEDRO C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC001507994321 1072865116 /nfs/dbraw/zinc/86/51/16/1072865116.db2.gz ZLCROGDRGOMUSW-NSHGMRRFSA-N 1 0 496.678 1.654 20 30 JDEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(C2CCC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C ZINC001508012985 1072866577 /nfs/dbraw/zinc/86/65/77/1072866577.db2.gz LCYOERCYODFACM-UXHICEINSA-N 1 0 455.607 1.391 20 30 JDEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)C(C)C ZINC001508014152 1072866928 /nfs/dbraw/zinc/86/69/28/1072866928.db2.gz SQIDVVXHDCWXIS-PWRODBHTSA-N 1 0 485.633 1.018 20 30 JDEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC)CC1)C(C)C ZINC001508013405 1072866933 /nfs/dbraw/zinc/86/69/33/1072866933.db2.gz NQIGSFDTRYIXSV-RTBURBONSA-N 1 0 458.611 1.389 20 30 JDEDRO C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001508059208 1072870949 /nfs/dbraw/zinc/87/09/49/1072870949.db2.gz QWHGFYGLIRJAOB-AZUAARDMSA-N 1 0 460.604 1.508 20 30 JDEDRO C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001508059209 1072871039 /nfs/dbraw/zinc/87/10/39/1072871039.db2.gz QWHGFYGLIRJAOB-ICSRJNTNSA-N 1 0 460.604 1.508 20 30 JDEDRO C=CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001508062880 1072871587 /nfs/dbraw/zinc/87/15/87/1072871587.db2.gz RQQOSELOMHRZPG-OAQYLSRUSA-N 1 0 487.674 1.594 20 30 JDEDRO C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 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/nfs/dbraw/zinc/26/48/05/1070264805.db2.gz KJVNOSADFDUIOF-SFHVURJKSA-N 1 0 466.656 1.046 20 30 JDEDRO CCN1CC[NH+](CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502349392 1070267048 /nfs/dbraw/zinc/26/70/48/1070267048.db2.gz WKLGYWDIZQHMTM-XMMPIXPASA-N 1 0 494.644 1.576 20 30 JDEDRO CCN1CC[NH+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001502354139 1070279828 /nfs/dbraw/zinc/27/98/28/1070279828.db2.gz AACSTCLIHFDLQH-VWLOTQADSA-N 1 0 464.618 1.807 20 30 JDEDRO CC[NH+]1CCN(CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001502354444 1070282239 /nfs/dbraw/zinc/28/22/39/1070282239.db2.gz JBWJDUABMYKUMM-LJQANCHMSA-N 1 0 473.647 1.972 20 30 JDEDRO CC[NH+]1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1 ZINC001502358715 1070296430 /nfs/dbraw/zinc/29/64/30/1070296430.db2.gz PHSYGWCVYXEETN-FQEVSTJZSA-N 1 0 463.652 1.338 20 30 JDEDRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001493509633 1070310084 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/nfs/dbraw/zinc/42/39/88/1071423988.db2.gz RUTUTCNLGNXCME-FQEVSTJZSA-N 1 0 473.603 1.057 20 30 JDEDRO CCS(=O)(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001503283066 1071442968 /nfs/dbraw/zinc/44/29/68/1071442968.db2.gz XQZPGILNNPXRKS-UHFFFAOYSA-N 1 0 497.629 1.202 20 30 JDEDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 ZINC001503359681 1071570878 /nfs/dbraw/zinc/57/08/78/1071570878.db2.gz NACFVWBERFBACH-NHCUHLMSSA-N 1 0 462.558 1.488 20 30 JDEDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(-c2cnccn2)nnc1N1CCC(C)(C#N)CC1 ZINC001503361687 1071578778 /nfs/dbraw/zinc/57/87/78/1071578778.db2.gz XWLCRJAPVKFLCG-IBGZPJMESA-N 1 0 451.579 1.808 20 30 JDEDRO COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H](C)O1 ZINC001504737460 1071614563 /nfs/dbraw/zinc/61/45/63/1071614563.db2.gz ZYNHZRKLNSRSMJ-NYDSKATKSA-N 1 0 456.547 1.035 20 30 JDEDRO CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001503379253 1071634807 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1071642730 /nfs/dbraw/zinc/64/27/30/1071642730.db2.gz LBSMFOLFEPKIGD-UHFFFAOYSA-N 1 0 472.615 1.941 20 30 JDEDRO COCC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001504755779 1071643170 /nfs/dbraw/zinc/64/31/70/1071643170.db2.gz KOPWBUDFUBCMEK-OFVILXPXSA-N 1 0 481.601 1.601 20 30 JDEDRO C[NH+](C)[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CCSC1 ZINC001503387343 1071645675 /nfs/dbraw/zinc/64/56/75/1071645675.db2.gz PJCFHIYGLSGLGE-NRFANRHFSA-N 1 0 475.644 1.336 20 30 JDEDRO C[NH+](C)CCCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 ZINC001503399868 1071660598 /nfs/dbraw/zinc/66/05/98/1071660598.db2.gz VNUVMCQBVAHPPL-VQTJNVASSA-N 1 0 453.547 1.337 20 30 JDEDRO C[NH+](C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 ZINC001503402043 1071666200 /nfs/dbraw/zinc/66/62/00/1071666200.db2.gz IEBRYHFRVQYBSX-UHFFFAOYSA-N 1 0 489.584 1.215 20 30 JDEDRO C[NH+](C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001503403933 1071669799 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1.858 20 30 JDEDRO C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001508074998 1072876465 /nfs/dbraw/zinc/87/64/65/1072876465.db2.gz UBJJAGLCPVUWKR-UHFFFAOYSA-N 1 0 450.551 1.190 20 30 JDEDRO C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001508078979 1072878428 /nfs/dbraw/zinc/87/84/28/1072878428.db2.gz LZSRXAFSBSYMPI-QHCPKHFHSA-N 1 0 492.628 1.350 20 30 JDEDRO C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001508080035 1072879830 /nfs/dbraw/zinc/87/98/30/1072879830.db2.gz HVWGCQXBTWABPX-UHFFFAOYSA-N 1 0 463.590 1.239 20 30 JDEDRO C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001508080800 1072880232 /nfs/dbraw/zinc/88/02/32/1072880232.db2.gz DSQCXTCQQXYFJQ-PMACEKPBSA-N 1 0 452.607 1.637 20 30 JDEDRO C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001508084982 1072881864 /nfs/dbraw/zinc/88/18/64/1072881864.db2.gz RPXXESUDOJHTSU-UHFFFAOYSA-N 1 0 466.634 1.561 20 30 JDEDRO C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001508085264 1072882283 /nfs/dbraw/zinc/88/22/83/1072882283.db2.gz FYCWPQAAYLMXQM-LJQANCHMSA-N 1 0 454.575 1.338 20 30 JDEDRO C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001508086117 1072882552 /nfs/dbraw/zinc/88/25/52/1072882552.db2.gz XWVDTGHTIHNZLN-NRFANRHFSA-N 1 0 481.626 1.792 20 30 JDEDRO C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001508087144 1072883412 /nfs/dbraw/zinc/88/34/12/1072883412.db2.gz NTTFWQLCZPRIBO-GOSISDBHSA-N 1 0 494.600 1.134 20 30 JDEDRO C=CCNC(=O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001508088550 1072884620 /nfs/dbraw/zinc/88/46/20/1072884620.db2.gz SRFLVOFYZJOFPY-UHFFFAOYSA-N 1 0 450.547 1.817 20 30 JDEDRO C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001508092594 1072888274 /nfs/dbraw/zinc/88/82/74/1072888274.db2.gz DAHNLWLPVDINEF-HXUWFJFHSA-N 1 0 485.564 1.041 20 30 JDEDRO C=CCNC(=O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](OC)C1 ZINC001508093971 1072889472 /nfs/dbraw/zinc/88/94/72/1072889472.db2.gz FKEBEYAHLZAUCQ-OAQYLSRUSA-N 1 0 453.591 1.170 20 30 JDEDRO C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001508095166 1072890462 /nfs/dbraw/zinc/89/04/62/1072890462.db2.gz MEYPUKUEIODEFQ-UHFFFAOYSA-N 1 0 451.575 1.415 20 30 JDEDRO C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC001508107639 1072895902 /nfs/dbraw/zinc/89/59/02/1072895902.db2.gz DLVVEODLLKMIMO-RTWAWAEBSA-N 1 0 459.639 1.569 20 30 JDEDRO C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001508107821 1072896126 /nfs/dbraw/zinc/89/61/26/1072896126.db2.gz CFAVQLMTZQCISI-GBXCKJPGSA-N 1 0 454.575 1.995 20 30 JDEDRO C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC001508107640 1072896142 /nfs/dbraw/zinc/89/61/42/1072896142.db2.gz DLVVEODLLKMIMO-SFTDATJTSA-N 1 0 459.639 1.569 20 30 JDEDRO C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCCC3)CCOCC2)C1 ZINC001508108223 1072896189 /nfs/dbraw/zinc/89/61/89/1072896189.db2.gz FQRXAYXJTCSHPM-OALUTQOASA-N 1 0 482.651 1.315 20 30 JDEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001508123433 1072899100 /nfs/dbraw/zinc/89/91/00/1072899100.db2.gz HYFXZVJVRBEJJW-NJYVYQBISA-N 1 0 496.678 1.514 20 30 JDEDRO C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001508124838 1072899533 /nfs/dbraw/zinc/89/95/33/1072899533.db2.gz MUGWDGPOGVZRMX-HLIPFELVSA-N 1 0 455.650 1.399 20 30 JDEDRO C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001508127709 1072900817 /nfs/dbraw/zinc/90/08/17/1072900817.db2.gz WEKCKRVRTKUYAO-RBUKOAKNSA-N 1 0 482.651 1.267 20 30 JDEDRO C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001508139765 1072913848 /nfs/dbraw/zinc/91/38/48/1072913848.db2.gz DNMNLSBOQFEXRH-FDFHNCONSA-N 1 0 494.706 1.768 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CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC001508242748 1073016239 /nfs/dbraw/zinc/01/62/39/1073016239.db2.gz OBDYZMKFIFFHBW-OALUTQOASA-N 1 0 451.575 1.842 20 30 JDEDRO CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001508242752 1073016758 /nfs/dbraw/zinc/01/67/58/1073016758.db2.gz OBDYZMKFIFFHBW-RBUKOAKNSA-N 1 0 451.575 1.842 20 30 JDEDRO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC[NH+](C)C)[C@@H](C)C1 ZINC001508258252 1073027283 /nfs/dbraw/zinc/02/72/83/1073027283.db2.gz GFIJMNDAXQOVKG-SFHVURJKSA-N 1 0 455.563 1.364 20 30 JDEDRO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([NH+](C)C)CCOCC2)[C@@H](C)C1 ZINC001508260497 1073028882 /nfs/dbraw/zinc/02/88/82/1073028882.db2.gz OMXNLNLDXXZWJD-IBGZPJMESA-N 1 0 481.601 1.897 20 30 JDEDRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCO1 ZINC001508374735 1073157525 /nfs/dbraw/zinc/15/75/25/1073157525.db2.gz IHQZJHPHKRNGBG-DHIUTWEWSA-N 1 0 481.601 1.395 20 30 JDEDRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCSCC2)CCO1 ZINC001508381973 1073179308 /nfs/dbraw/zinc/17/93/08/1073179308.db2.gz YSYFTZVMTLOEFP-HXUWFJFHSA-N 1 0 455.588 1.207 20 30 JDEDRO C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001508411858 1073218405 /nfs/dbraw/zinc/21/84/05/1073218405.db2.gz LXVOYUILUYOENY-MOPGFXCFSA-N 1 0 481.667 1.767 20 30 JDEDRO C[C@@H](C#N)CN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1COCCO1 ZINC001508429066 1073224029 /nfs/dbraw/zinc/22/40/29/1073224029.db2.gz XRAJWIVFJKYACX-UNMCSNQZSA-N 1 0 453.591 1.654 20 30 JDEDRO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001508645889 1073307372 /nfs/dbraw/zinc/30/73/72/1073307372.db2.gz VEOJSUIQXPOZNG-AQNXPRMDSA-N 1 0 489.621 1.926 20 30 JDEDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CCCC[NH+]2CCOCC2)C1 ZINC001508675537 1073329524 /nfs/dbraw/zinc/32/95/24/1073329524.db2.gz ACGUHLLLIQBETF-HSALFYBXSA-N 1 0 489.621 1.890 20 30 JDEDRO CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)[NH+]1CCOCC1 ZINC001508849002 1073414833 /nfs/dbraw/zinc/41/48/33/1073414833.db2.gz CPIHZCISJXPBER-NRFANRHFSA-N 1 0 451.575 1.875 20 30 JDEDRO CC(C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCNC(=O)C1N=CC=CC1=O ZINC001509003557 1073472409 /nfs/dbraw/zinc/47/24/09/1073472409.db2.gz RHCGLOXTPORBIF-SLNYWTKHSA-N 1 0 457.579 1.617 20 30 JDEDRO CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1)[NH+](C)C ZINC001509106196 1073502993 /nfs/dbraw/zinc/50/29/93/1073502993.db2.gz DDJUEOSGJGPBOQ-JOCHJYFZSA-N 1 0 492.628 1.720 20 30 JDEDRO CC(C)C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)[NH+](C)C ZINC001509122989 1073509434 /nfs/dbraw/zinc/50/94/34/1073509434.db2.gz JNOYBSXLGSOQAN-VQTJNVASSA-N 1 0 465.606 1.799 20 30 JDEDRO CC(C)C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)[NH+](C)C ZINC001509122992 1073509501 /nfs/dbraw/zinc/50/95/01/1073509501.db2.gz JNOYBSXLGSOQAN-WOJBJXKFSA-N 1 0 465.606 1.799 20 30 JDEDRO 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20 30 JDEDRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001509443366 1073625472 /nfs/dbraw/zinc/62/54/72/1073625472.db2.gz ZOCMHJCXJRWHHD-SQJMNOBHSA-N 1 0 481.601 1.787 20 30 JDEDRO CC(C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001509527100 1073668253 /nfs/dbraw/zinc/66/82/53/1073668253.db2.gz ZGDWQBGFJYMJJW-SFHVURJKSA-N 1 0 466.594 1.117 20 30 JDEDRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CC1 ZINC001509546304 1073672823 /nfs/dbraw/zinc/67/28/23/1073672823.db2.gz BDMIWJDQKLGHNO-SFHVURJKSA-N 1 0 474.631 1.921 20 30 JDEDRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001509547025 1073673377 /nfs/dbraw/zinc/67/33/77/1073673377.db2.gz DEBGFAKWBVMHGO-HXUWFJFHSA-N 1 0 451.575 1.754 20 30 JDEDRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)CC1 ZINC001509547229 1073673586 /nfs/dbraw/zinc/67/35/86/1073673586.db2.gz GIGWQZXXZHMXLJ-UHFFFAOYSA-N 1 0 475.619 1.037 20 30 JDEDRO CC(C)[NH+]1CCC(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)CC2)CC1 ZINC001509550765 1073676002 /nfs/dbraw/zinc/67/60/02/1073676002.db2.gz WGVYXUKYHWEWOW-UHFFFAOYSA-N 1 0 485.658 1.856 20 30 JDEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164717154 720196937 /nfs/dbraw/zinc/19/69/37/720196937.db2.gz SVJOGHPQDBKLLS-UTKZUKDTSA-N 1 0 490.568 1.755 20 30 JDEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164754181 720964140 /nfs/dbraw/zinc/96/41/40/720964140.db2.gz OGTSOKMBNVNIPB-AWEZNQCLSA-N 1 0 463.498 1.252 20 30 JDEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164754182 720964292 /nfs/dbraw/zinc/96/42/92/720964292.db2.gz OGTSOKMBNVNIPB-CQSZACIVSA-N 1 0 463.498 1.252 20 30 JDEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164874396 721285702 /nfs/dbraw/zinc/28/57/02/721285702.db2.gz PZKKUEXORYVADS-SFHVURJKSA-N 1 0 480.569 1.417 20 30 JDEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164797684 721519550 /nfs/dbraw/zinc/51/95/50/721519550.db2.gz KRXOBPDUPBBSSI-SFHVURJKSA-N 1 0 460.542 1.374 20 30 JDEDRO CCC[N@H+](CC)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001500795152 1069315598 /nfs/dbraw/zinc/31/55/98/1069315598.db2.gz XFWXURKAFWXBRH-UHFFFAOYSA-N 1 0 482.637 1.373 20 30 JDEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N ZINC001500993473 1069349230 /nfs/dbraw/zinc/34/92/30/1069349230.db2.gz HCVRLBIEQRZGGQ-IPMKNSEASA-N 1 0 467.640 1.471 20 30 JDEDRO CCCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CC[N@H+](C)C2)c2ccccc2c1=O ZINC001501069604 1069374170 /nfs/dbraw/zinc/37/41/70/1069374170.db2.gz MBTGEGQGHHOCHM-MZNJEOGPSA-N 1 0 464.574 1.727 20 30 JDEDRO CCCNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001501165111 1069425006 /nfs/dbraw/zinc/42/50/06/1069425006.db2.gz YVHOSCRWZUEBBV-NRFANRHFSA-N 1 0 478.601 1.729 20 30 JDEDRO C[NH+]1CCC(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)(N2CCOCC2)CC1 ZINC001475390966 1069457739 /nfs/dbraw/zinc/45/77/39/1069457739.db2.gz GRBZRJGASRSCCU-UHFFFAOYSA-N 1 0 457.394 1.396 20 30 JDEDRO C[NH+]1CCC(CNS(=O)(=O)c2cc(Br)ccc2C#N)(N2CCOCC2)CC1 ZINC001475391766 1069457935 /nfs/dbraw/zinc/45/79/35/1069457935.db2.gz QYRDGFZWTRMFRP-UHFFFAOYSA-N 1 0 457.394 1.396 20 30 JDEDRO CCN(C)C(=O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001501430550 1069530288 /nfs/dbraw/zinc/53/02/88/1069530288.db2.gz XCBMRVYHNLLMAE-XMMPIXPASA-N 1 0 468.581 1.563 20 30 JDEDRO CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)cc1 ZINC001476005593 1069586627 /nfs/dbraw/zinc/58/66/27/1069586627.db2.gz CXFKEUMPDJKPME-GFMRDNFCSA-N 1 0 450.609 1.647 20 30 JDEDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC001476007811 1069587785 /nfs/dbraw/zinc/58/77/85/1069587785.db2.gz ZDFRPEJUOKOQMO-YUCJCZDXSA-N 1 0 450.565 1.083 20 30 JDEDRO CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCN2CC[NH+](C)CC2)c1 ZINC001476025809 1069590615 /nfs/dbraw/zinc/59/06/15/1069590615.db2.gz FXOGRBSOBXVZBC-HIXSDJFHSA-N 1 0 450.609 1.649 20 30 JDEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 ZINC001501901184 1069763446 /nfs/dbraw/zinc/76/34/46/1069763446.db2.gz HTGGSUNLLPYZGW-DEOSSOPVSA-N 1 0 483.642 1.675 20 30 JDEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CC1 ZINC001501901565 1069768591 /nfs/dbraw/zinc/76/85/91/1069768591.db2.gz TUJVLNRXFQDYQZ-UHFFFAOYSA-N 1 0 462.562 1.099 20 30 JDEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)CC1 ZINC001501901724 1069768641 /nfs/dbraw/zinc/76/86/41/1069768641.db2.gz XKOJKALNMCHVSN-UHFFFAOYSA-N 1 0 461.574 1.589 20 30 JDEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 ZINC001501906844 1069790778 /nfs/dbraw/zinc/79/07/78/1069790778.db2.gz PBKZCACRFANVCD-UHFFFAOYSA-N 1 0 462.558 1.767 20 30 JDEDRO CC[NH+](CC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001501956088 1069808155 /nfs/dbraw/zinc/80/81/55/1069808155.db2.gz YAEVEZJZSXXPJD-FQEVSTJZSA-N 1 0 486.646 1.505 20 30 JDEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OC ZINC001477531492 1069830811 /nfs/dbraw/zinc/83/08/11/1069830811.db2.gz MPNVKEICUWRRJN-AVRDEDQJSA-N 1 0 464.588 1.496 20 30 JDEDRO CC[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C ZINC001502184809 1069844982 /nfs/dbraw/zinc/84/49/82/1069844982.db2.gz KIKSGWMYOWUUHC-UHFFFAOYSA-N 1 0 482.637 1.485 20 30 JDEDRO CC[N@H+](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1)C(C)C ZINC001502199011 1069853229 /nfs/dbraw/zinc/85/32/29/1069853229.db2.gz BRHNDFIBRBIVKD-GOSISDBHSA-N 1 0 467.640 1.471 20 30 JDEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C[C@@H]1C ZINC001502252445 1069935114 /nfs/dbraw/zinc/93/51/14/1069935114.db2.gz YCAKDJBCORENAE-ROUUACIJSA-N 1 0 498.613 1.843 20 30 JDEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001502264250 1069971641 /nfs/dbraw/zinc/97/16/41/1069971641.db2.gz WYMOOGVSDNDZTF-IAGOWNOFSA-N 1 0 461.592 1.197 20 30 JDEDRO CC[N@@H+]1CC[C@@H](Cn2c([C@H](C)OCCOC)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001502271622 1069993868 /nfs/dbraw/zinc/99/38/68/1069993868.db2.gz JAYYIOSVJUUJSK-PZJWPPBQSA-N 1 0 468.606 1.937 20 30 JDEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@](F)(C#N)C2)C1 ZINC001502271473 1069994103 /nfs/dbraw/zinc/99/41/03/1069994103.db2.gz GDRYQYRNAMEJDY-JTSKRJEESA-N 1 0 475.594 1.979 20 30 JDEDRO CC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 ZINC001502278639 1070007588 /nfs/dbraw/zinc/00/75/88/1070007588.db2.gz HLNGHXOQCFADFG-IEBWSBKVSA-N 1 0 460.604 1.940 20 30 JDEDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001502283560 1070019141 /nfs/dbraw/zinc/01/91/41/1070019141.db2.gz UKTNOXVQLUFRPD-NRFANRHFSA-N 1 0 450.591 1.511 20 30 JDEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N ZINC001502296963 1070040470 /nfs/dbraw/zinc/04/04/70/1070040470.db2.gz RCXCRENKSNVLPD-KSZLIROESA-N 1 0 453.613 1.081 20 30 JDEDRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)CC1 ZINC001502309275 1070065625 /nfs/dbraw/zinc/06/56/25/1070065625.db2.gz AXBSYBDWLXWCNX-OAQYLSRUSA-N 1 0 493.660 1.641 20 30 JDEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502310483 1070074814 /nfs/dbraw/zinc/07/48/14/1070074814.db2.gz AFDYRRSWRKFQAX-RXVVDRJESA-N 1 0 450.591 1.544 20 30 JDEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001502311061 1070076935 /nfs/dbraw/zinc/07/69/35/1070076935.db2.gz LSWKGAXQQIDGNF-FXAWDEMLSA-N 1 0 454.535 1.608 20 30 JDEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001502311785 1070080387 /nfs/dbraw/zinc/08/03/87/1070080387.db2.gz ZJLOKLBJWHJKTO-FQEVSTJZSA-N 1 0 480.617 1.138 20 30 JDEDRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502315246 1070099020 /nfs/dbraw/zinc/09/90/20/1070099020.db2.gz JTXLBABDJCAEAN-LJQANCHMSA-N 1 0 480.617 1.456 20 30 JDEDRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001502315596 1070102013 /nfs/dbraw/zinc/10/20/13/1070102013.db2.gz QZBAYWOJKZGWJT-HXUWFJFHSA-N 1 0 496.616 1.643 20 30 JDEDRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@H]1C ZINC001502330667 1070166281 /nfs/dbraw/zinc/16/62/81/1070166281.db2.gz AITCNFQXDSHOGU-GOSISDBHSA-N 1 0 453.547 1.118 20 30 JDEDRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC[S@@](=O)CC)C2)CC1 ZINC001502334353 1070185143 /nfs/dbraw/zinc/18/51/43/1070185143.db2.gz GQFYCIRVHSWDPJ-MNAQKMTRSA-N 1 0 455.632 1.802 20 30 JDEDRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC[S@](=O)CC)C2)CC1 ZINC001502334354 1070185375 /nfs/dbraw/zinc/18/53/75/1070185375.db2.gz GQFYCIRVHSWDPJ-XFSFLGPDSA-N 1 0 455.632 1.802 20 30 JDEDRO CC[NH+]1CCN([C@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCC(=O)NC(C)C)C2)CC1 ZINC001502337096 1070201835 /nfs/dbraw/zinc/20/18/35/1070201835.db2.gz AJGMCIFEMAXTRU-QFIPXVFZSA-N 1 0 494.644 1.860 20 30 JDEDRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001502338777 1070216940 /nfs/dbraw/zinc/21/69/40/1070216940.db2.gz ZPPPIMWPTVCMNO-MBSDFSHPSA-N 1 0 469.569 1.641 20 30 JDEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001502340449 1070220604 /nfs/dbraw/zinc/22/06/04/1070220604.db2.gz GLYGTBFGULVMDV-OAQYLSRUSA-N 1 0 494.644 1.385 20 30 JDEDRO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001502342775 1070231550 /nfs/dbraw/zinc/23/15/50/1070231550.db2.gz DQRULKKDOLPPGY-OFNKIYASSA-N 1 0 499.685 1.962 20 30 JDEDRO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1 ZINC001502343237 1070233584 /nfs/dbraw/zinc/23/35/84/1070233584.db2.gz LSNYEBVFCBJWPN-QUCCMNQESA-N 1 0 463.652 1.194 20 30 JDEDRO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CC1 ZINC001502343238 1070234888 /nfs/dbraw/zinc/23/48/88/1070234888.db2.gz LSNYEBVFCBJWPN-UYAOXDASSA-N 1 0 463.652 1.194 20 30 JDEDRO CCN1CC[NH+](CCCCn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502352620 1070275051 /nfs/dbraw/zinc/27/50/51/1070275051.db2.gz JEITZXUPTBJGHC-UHFFFAOYSA-N 1 0 480.617 1.425 20 30 JDEDRO CC[NH+]1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001502355250 1070285527 /nfs/dbraw/zinc/28/55/27/1070285527.db2.gz VJNYKMGTZRDHMU-OAQYLSRUSA-N 1 0 471.631 1.468 20 30 JDEDRO CCN1CC[NH+](CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001502356492 1070291823 /nfs/dbraw/zinc/29/18/23/1070291823.db2.gz OKAPPZPEEFEVOP-UHFFFAOYSA-N 1 0 464.618 1.936 20 30 JDEDRO CC[NH+]1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1 ZINC001502358717 1070295522 /nfs/dbraw/zinc/29/55/22/1070295522.db2.gz PHSYGWCVYXEETN-HXUWFJFHSA-N 1 0 463.652 1.338 20 30 JDEDRO C[C@@H]1CCC[N@H+](CCCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001493792686 1070345819 /nfs/dbraw/zinc/34/58/19/1070345819.db2.gz MORNKLSXQXHVFZ-XQBPLPMBSA-N 1 0 497.641 1.565 20 30 JDEDRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001493786616 1070344494 /nfs/dbraw/zinc/34/44/94/1070344494.db2.gz XSMNARFEGJDEGW-SBHAEUEKSA-N 1 0 492.694 1.577 20 30 JDEDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001493845771 1070359696 /nfs/dbraw/zinc/35/96/96/1070359696.db2.gz ODBNCWSSYBVLKF-LJQANCHMSA-N 1 0 450.591 1.511 20 30 JDEDRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001494087996 1070388625 /nfs/dbraw/zinc/38/86/25/1070388625.db2.gz QVYQEDMCJDNCRY-DICRZQGBSA-N 1 0 471.603 1.218 20 30 JDEDRO C[C@H]1C[NH+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C[C@H](C)O1 ZINC001494099964 1070394946 /nfs/dbraw/zinc/39/49/46/1070394946.db2.gz MDTXGRKQNBMFBN-OALUTQOASA-N 1 0 481.601 1.943 20 30 JDEDRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001494108926 1070398239 /nfs/dbraw/zinc/39/82/39/1070398239.db2.gz YUFNNFSQVDRILO-GOSISDBHSA-N 1 0 450.591 1.510 20 30 JDEDRO C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H](C(F)(F)F)O1 ZINC001494470760 1070599524 /nfs/dbraw/zinc/59/95/24/1070599524.db2.gz ZSXNCBMXUHQNAS-FYINFDKHSA-N 1 0 480.491 1.951 20 30 JDEDRO C[C@@H]1C[NH+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C[C@@H](C)O1 ZINC001494520936 1070613679 /nfs/dbraw/zinc/61/36/79/1070613679.db2.gz WPIVOCYJMPMACR-IPMKNSEASA-N 1 0 451.575 1.983 20 30 JDEDRO C[C@@H]1C[N@H+](CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)CCCO1 ZINC001494524251 1070616984 /nfs/dbraw/zinc/61/69/84/1070616984.db2.gz PRYSBRAFGDCPAC-HXUWFJFHSA-N 1 0 481.601 1.613 20 30 JDEDRO C[C@@H]1C[NH+](CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC001494523409 1070617592 /nfs/dbraw/zinc/61/75/92/1070617592.db2.gz LKVSJUPJHGHEFK-RTBURBONSA-N 1 0 487.630 1.398 20 30 JDEDRO C[C@@H]1C[N@H+](CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCCO1 ZINC001494535905 1070628137 /nfs/dbraw/zinc/62/81/37/1070628137.db2.gz LPAPNPJOJXPETO-LJQANCHMSA-N 1 0 488.614 1.464 20 30 JDEDRO C[C@@H]1C[N@H+](CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)CCCO1 ZINC001494537108 1070630439 /nfs/dbraw/zinc/63/04/39/1070630439.db2.gz QULCJDXGUGOHSK-LJQANCHMSA-N 1 0 481.601 1.931 20 30 JDEDRO CCOC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001502534265 1070657831 /nfs/dbraw/zinc/65/78/31/1070657831.db2.gz CSACILAHDXUHGN-YADARESESA-N 1 0 483.573 1.510 20 30 JDEDRO COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001504041653 1070800826 /nfs/dbraw/zinc/80/08/26/1070800826.db2.gz JTPFCMKAYQWSAR-NRFANRHFSA-N 1 0 481.601 1.897 20 30 JDEDRO CCO[C@@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@@H](C)[NH+](C)C)CCOC1 ZINC001502719306 1070827435 /nfs/dbraw/zinc/82/74/35/1070827435.db2.gz XOLQABYTSVFYIB-JPYJTQIMSA-N 1 0 454.579 1.474 20 30 JDEDRO CCO[C@]1(c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@@H](C)[NH+](C)C)CCOC1 ZINC001502719308 1070827491 /nfs/dbraw/zinc/82/74/91/1070827491.db2.gz XOLQABYTSVFYIB-WZONZLPQSA-N 1 0 454.579 1.474 20 30 JDEDRO CC[C@@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001496187724 1070833394 /nfs/dbraw/zinc/83/33/94/1070833394.db2.gz IFFOTHBCZCPZKZ-XLIONFOSSA-N 1 0 455.563 1.410 20 30 JDEDRO CC[C@@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001496188251 1070833830 /nfs/dbraw/zinc/83/38/30/1070833830.db2.gz LWJNRWNWESDAMT-LJQANCHMSA-N 1 0 465.606 1.724 20 30 JDEDRO CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)CCOC1 ZINC001502729005 1070839296 /nfs/dbraw/zinc/83/92/96/1070839296.db2.gz KRRULSISQFARSV-REWPJTCUSA-N 1 0 458.538 1.930 20 30 JDEDRO COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC[NH+]2CCC(O)CC2)c(OC)c1 ZINC001504203365 1070883669 /nfs/dbraw/zinc/88/36/69/1070883669.db2.gz PCQGPXWRTMILQK-IBGZPJMESA-N 1 0 456.547 1.538 20 30 JDEDRO CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001503104392 1071056086 /nfs/dbraw/zinc/05/60/86/1071056086.db2.gz UBXOXCPUOKLEFT-OAQYLSRUSA-N 1 0 495.632 1.351 20 30 JDEDRO CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[NH+]1CCCCCC1 ZINC001503103549 1071054266 /nfs/dbraw/zinc/05/42/66/1071054266.db2.gz QESLEMAHNKVSHX-UHFFFAOYSA-N 1 0 455.611 1.931 20 30 JDEDRO COC1CC[NH+](C2(Cn3c(C(=O)NC(C)C)nnc3N3CCO[C@@H](C#N)C3)CCCC2)CC1 ZINC001504493427 1071271181 /nfs/dbraw/zinc/27/11/81/1071271181.db2.gz ILSUNOYCSRLUIP-IBGZPJMESA-N 1 0 459.595 1.569 20 30 JDEDRO COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001504541927 1071369210 /nfs/dbraw/zinc/36/92/10/1071369210.db2.gz YBUDJSREPPXOQM-UHFFFAOYSA-N 1 0 481.601 1.944 20 30 JDEDRO CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001503281839 1071432171 /nfs/dbraw/zinc/43/21/71/1071432171.db2.gz HBYBVMVBOINZNP-HXUWFJFHSA-N 1 0 487.630 1.305 20 30 JDEDRO CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001503300711 1071519062 /nfs/dbraw/zinc/51/90/62/1071519062.db2.gz BWNOFHXJXAUMQB-PGUFJCEWSA-N 1 0 499.641 1.242 20 30 JDEDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 ZINC001503357007 1071556564 /nfs/dbraw/zinc/55/65/64/1071556564.db2.gz DEHLAHKUJGMRNY-FQEVSTJZSA-N 1 0 470.622 1.473 20 30 JDEDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001503360201 1071573068 /nfs/dbraw/zinc/57/30/68/1071573068.db2.gz PFGAVEOJBBRAGT-CYFREDJKSA-N 1 0 470.622 1.587 20 30 JDEDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001503360723 1071574261 /nfs/dbraw/zinc/57/42/61/1071574261.db2.gz QZQCKRRPDYEPRV-IEGUWTFLSA-N 1 0 456.595 1.302 20 30 JDEDRO CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001503367360 1071594908 /nfs/dbraw/zinc/59/49/08/1071594908.db2.gz MKINZXKEOUZQAL-FQEVSTJZSA-N 1 0 467.574 1.366 20 30 JDEDRO COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H](C)O1 ZINC001504737459 1071613929 /nfs/dbraw/zinc/61/39/29/1071613929.db2.gz ZYNHZRKLNSRSMJ-MONBJTKQSA-N 1 0 456.547 1.035 20 30 JDEDRO COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H](C)O1 ZINC001504737457 1071613975 /nfs/dbraw/zinc/61/39/75/1071613975.db2.gz ZYNHZRKLNSRSMJ-DHJUGAMNSA-N 1 0 456.547 1.035 20 30 JDEDRO C[NH+](C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1)c1ccsc1 ZINC001503381936 1071638403 /nfs/dbraw/zinc/63/84/03/1071638403.db2.gz MSNBSHXSAAYFPT-MOPGFXCFSA-N 1 0 493.659 1.715 20 30 JDEDRO C[NH+](C)[C@@]1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C)(C#N)CC2)CCSC1 ZINC001503385595 1071643186 /nfs/dbraw/zinc/64/31/86/1071643186.db2.gz HDWBZMVZUJRGEP-LAUBAEHRSA-N 1 0 497.691 1.178 20 30 JDEDRO C[NH+](C)[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)CCSC1 ZINC001503386264 1071643891 /nfs/dbraw/zinc/64/38/91/1071643891.db2.gz POLUTFUFNGGDHP-JOCHJYFZSA-N 1 0 489.671 1.772 20 30 JDEDRO C[NH+](C)[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)CCSC1 ZINC001503389680 1071648493 /nfs/dbraw/zinc/64/84/93/1071648493.db2.gz KSIYTSIPWAPRPW-DEOSSOPVSA-N 1 0 499.641 1.637 20 30 JDEDRO C[NH+](C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CCOCC1 ZINC001503389862 1071649098 /nfs/dbraw/zinc/64/90/98/1071649098.db2.gz QJXOWEDPWSUUJA-LJQANCHMSA-N 1 0 467.574 1.541 20 30 JDEDRO CN(C)CC[NH+]1CCC(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001503399791 1071660515 /nfs/dbraw/zinc/66/05/15/1071660515.db2.gz VHIBYEABRQXCSK-IBGZPJMESA-N 1 0 458.998 1.996 20 30 JDEDRO C[NH+](C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001503401586 1071664684 /nfs/dbraw/zinc/66/46/84/1071664684.db2.gz BSTPCZMAXAEUCZ-NRFANRHFSA-N 1 0 467.574 1.223 20 30 JDEDRO C[NH+](C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001503401590 1071664721 /nfs/dbraw/zinc/66/47/21/1071664721.db2.gz BSTPCZMAXAEUCZ-OAQYLSRUSA-N 1 0 467.574 1.223 20 30 JDEDRO C[NH+](C)CCOc1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 ZINC001503402102 1071666143 /nfs/dbraw/zinc/66/61/43/1071666143.db2.gz YMHMVHSQBSGOOR-UXHICEINSA-N 1 0 453.547 1.141 20 30 JDEDRO C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001503402300 1071666804 /nfs/dbraw/zinc/66/68/04/1071666804.db2.gz LCOGJTKRWUMPBQ-UHFFFAOYSA-N 1 0 484.580 1.430 20 30 JDEDRO C[NH+](C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001503402893 1071668064 /nfs/dbraw/zinc/66/80/64/1071668064.db2.gz RPGBAMHFYOATEA-UHFFFAOYSA-N 1 0 451.575 1.986 20 30 JDEDRO C[NH+](C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 ZINC001503403293 1071669338 /nfs/dbraw/zinc/66/93/38/1071669338.db2.gz WQOPVOANFOEHEX-NRFANRHFSA-N 1 0 450.547 1.497 20 30 JDEDRO C[NH+](C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001503403932 1071669729 /nfs/dbraw/zinc/66/97/29/1071669729.db2.gz AAKSBHHQQBDCIQ-NRFANRHFSA-N 1 0 466.590 1.001 20 30 JDEDRO COCCC[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001504812622 1071684126 /nfs/dbraw/zinc/68/41/26/1071684126.db2.gz FLSXGFDWWFHIFK-HXUWFJFHSA-N 1 0 452.563 1.341 20 30 JDEDRO COCCC[N@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@](F)(C#N)C1 ZINC001504815227 1071687558 /nfs/dbraw/zinc/68/75/58/1071687558.db2.gz REARPNZRTVCYJO-QHCPKHFHSA-N 1 0 468.537 1.602 20 30 JDEDRO CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001503437380 1071741797 /nfs/dbraw/zinc/74/17/97/1071741797.db2.gz VESMCDYMHYNEAM-QHCPKHFHSA-N 1 0 469.615 1.549 20 30 JDEDRO COCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001504853717 1071759246 /nfs/dbraw/zinc/75/92/46/1071759246.db2.gz ACOXFNJVLURBRQ-OAQYLSRUSA-N 1 0 451.575 1.986 20 30 JDEDRO COCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001504853754 1071760423 /nfs/dbraw/zinc/76/04/23/1071760423.db2.gz AMGRMYJENOHDGO-UGKGYDQZSA-N 1 0 453.591 1.552 20 30 JDEDRO COCC[N@H+](C)CCn1c(-c2cnccn2)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC001504856104 1071768692 /nfs/dbraw/zinc/76/86/92/1071768692.db2.gz RJYOXDFVJHVDBS-UHFFFAOYSA-N 1 0 461.574 1.902 20 30 JDEDRO COCC[N@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001504857630 1071777415 /nfs/dbraw/zinc/77/74/15/1071777415.db2.gz NRIZWVGCVYFJLR-SFHVURJKSA-N 1 0 459.545 1.902 20 30 JDEDRO COCC[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001504858389 1071783616 /nfs/dbraw/zinc/78/36/16/1071783616.db2.gz BDXDVDWQKJEHFQ-UHFFFAOYSA-N 1 0 469.546 1.386 20 30 JDEDRO CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001503476126 1071796981 /nfs/dbraw/zinc/79/69/81/1071796981.db2.gz FXTKZOBYFQWGES-FQEVSTJZSA-N 1 0 472.615 1.799 20 30 JDEDRO CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001503478180 1071798112 /nfs/dbraw/zinc/79/81/12/1071798112.db2.gz XSUHUKQCSAKPMB-OAQYLSRUSA-N 1 0 451.575 1.869 20 30 JDEDRO COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([NH+](C)C)CCOCC1 ZINC001504874222 1071806384 /nfs/dbraw/zinc/80/63/84/1071806384.db2.gz PVXFZSLMEMWPJQ-NRFANRHFSA-N 1 0 481.601 1.865 20 30 JDEDRO COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001504895852 1071821148 /nfs/dbraw/zinc/82/11/48/1071821148.db2.gz IAQDVDCPYDAEJZ-OAQYLSRUSA-N 1 0 453.591 1.980 20 30 JDEDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1C ZINC001504913952 1071873778 /nfs/dbraw/zinc/87/37/78/1071873778.db2.gz OVSQIBPYXUOAJB-SFHVURJKSA-N 1 0 467.574 1.256 20 30 JDEDRO C[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)C1CCCC1 ZINC001503608072 1071892255 /nfs/dbraw/zinc/89/22/55/1071892255.db2.gz QQOHEGCKMXKVGW-UHFFFAOYSA-N 1 0 457.604 1.773 20 30 JDEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CC1 ZINC001503683980 1072016862 /nfs/dbraw/zinc/01/68/62/1072016862.db2.gz XWRONLQMSFOTDM-OAQYLSRUSA-N 1 0 451.575 1.722 20 30 JDEDRO 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C[C@@H](CC(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001472488481 1069015393 /nfs/dbraw/zinc/01/53/93/1069015393.db2.gz HLKFTZRSJYMUCD-KRWDZBQOSA-N 1 0 455.584 1.890 20 30 JDEDRO N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001472593597 1069036265 /nfs/dbraw/zinc/03/62/65/1069036265.db2.gz FDIMXDVBGOHYQE-VXKWHMMOSA-N 1 0 454.552 1.338 20 30 JDEDRO CC[C@H](C)[C@@H](NC(=O)Cn1c2c(cc(C#N)c1=O)C[N@@H+](Cc1ccccc1)CC2)C(=O)OC ZINC001473061839 1069066952 /nfs/dbraw/zinc/06/69/52/1069066952.db2.gz BQQXKNMNKQDDPR-GAJHUEQPSA-N 1 0 450.539 1.982 20 30 JDEDRO Cc1nn(C)c(N2CCN(CC(=O)Nc3cccc(C[NH+]4CCSCC4)c3)CC2)c1C#N ZINC001473393792 1069137610 /nfs/dbraw/zinc/13/76/10/1069137610.db2.gz YJJNWSQIHYXYAE-UHFFFAOYSA-N 1 0 453.616 1.910 20 30 JDEDRO CCC[C@@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 ZINC001499969483 1069155061 /nfs/dbraw/zinc/15/50/61/1069155061.db2.gz DXJKOXZFJKFGCT-RCZVLFRGSA-N 1 0 467.618 1.923 20 30 JDEDRO CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CC[N@@H+]1CCOC ZINC001500248788 1069221874 /nfs/dbraw/zinc/22/18/74/1069221874.db2.gz CRFBFJFICGJQFZ-ZJSXRUAMSA-N 1 0 454.575 1.905 20 30 JDEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@]34CCN(C(=O)OC(C)(C)C)C4)CC2)o1 ZINC001473871100 1069234364 /nfs/dbraw/zinc/23/43/64/1069234364.db2.gz QDRHIJCFGYTXKJ-HSZRJFAPSA-N 1 0 458.563 1.979 20 30 JDEDRO C[NH+]1CCN(c2cc(CNS(=O)(=O)c3ccc(Br)c(C#N)c3)ccn2)CC1 ZINC001474842145 1069282241 /nfs/dbraw/zinc/28/22/41/1069282241.db2.gz QFHWHTQZDCFMDT-UHFFFAOYSA-N 1 0 450.362 1.946 20 30 JDEDRO C[NH+]1CCN(c2ncccc2CNS(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC001474894740 1069298328 /nfs/dbraw/zinc/29/83/28/1069298328.db2.gz CGSMYMLZVYMRHZ-UHFFFAOYSA-N 1 0 450.362 1.946 20 30 JDEDRO CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC[NH+](C)CC1 ZINC001505186257 1072404717 /nfs/dbraw/zinc/40/47/17/1072404717.db2.gz AOLFYGUGZBKYKA-HNNXBMFYSA-N 1 0 455.654 1.456 20 30 JDEDRO 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CC[NH+](CC)[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001501805149 1069733140 /nfs/dbraw/zinc/73/31/40/1069733140.db2.gz SMLPTRQFACJPQU-IBGZPJMESA-N 1 0 465.606 1.724 20 30 JDEDRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 ZINC001501918984 1069801767 /nfs/dbraw/zinc/80/17/67/1069801767.db2.gz MCZRGYKUHSVGOR-FXAWDEMLSA-N 1 0 475.619 1.507 20 30 JDEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 ZINC001501929110 1069802949 /nfs/dbraw/zinc/80/29/49/1069802949.db2.gz FYDXXDHYPWAGSO-IBGZPJMESA-N 1 0 459.620 1.876 20 30 JDEDRO CC[NH+](CC)CCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001501961250 1069808380 /nfs/dbraw/zinc/80/83/80/1069808380.db2.gz DLKGPHJRZHVPJF-LJQANCHMSA-N 1 0 480.621 1.509 20 30 JDEDRO CC[NH+](CC)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001501962639 1069808489 /nfs/dbraw/zinc/80/84/89/1069808489.db2.gz UWJZEXWCHFFJNS-UHFFFAOYSA-N 1 0 494.600 1.981 20 30 JDEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001501973791 1069810234 /nfs/dbraw/zinc/81/02/34/1069810234.db2.gz LEUFXQPQZDSRFG-LJQANCHMSA-N 1 0 480.617 1.720 20 30 JDEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2)c1 ZINC001477275350 1069810360 /nfs/dbraw/zinc/81/03/60/1069810360.db2.gz RRLIRVPYIYHEEQ-NZQKXSOJSA-N 1 0 459.616 1.477 20 30 JDEDRO Cc1ccc(-n2nc(CCCNC(=O)NC3CCN(CC[NH+](C)C)CC3)c(C#N)c2N)cc1 ZINC001477380538 1069817258 /nfs/dbraw/zinc/81/72/58/1069817258.db2.gz RNFKAYLYOCTAHL-UHFFFAOYSA-N 1 0 452.607 1.892 20 30 JDEDRO CC[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(C)C ZINC001502185465 1069846532 /nfs/dbraw/zinc/84/65/32/1069846532.db2.gz GGVPWPGESVMIDE-LJQANCHMSA-N 1 0 451.579 1.832 20 30 JDEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)C1CC1 ZINC001502188928 1069849398 /nfs/dbraw/zinc/84/93/98/1069849398.db2.gz JPSPKUULQPMSIB-UHFFFAOYSA-N 1 0 478.601 1.474 20 30 JDEDRO CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC[N@H+](C)CCCOC)CCN2C1=O ZINC001502214970 1069876154 /nfs/dbraw/zinc/87/61/54/1069876154.db2.gz KVMLEKZSLPZELW-FQEVSTJZSA-N 1 0 480.573 1.258 20 30 JDEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1C ZINC001502248868 1069930068 /nfs/dbraw/zinc/93/00/68/1069930068.db2.gz CSHLVLIKXORWDI-ZWKOTPCHSA-N 1 0 472.615 1.675 20 30 JDEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@H]1C ZINC001502250080 1069932136 /nfs/dbraw/zinc/93/21/36/1069932136.db2.gz TXPVMIXBHREBDB-QZTJIDSGSA-N 1 0 460.604 1.797 20 30 JDEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@H]1C ZINC001502250079 1069932411 /nfs/dbraw/zinc/93/24/11/1069932411.db2.gz TXPVMIXBHREBDB-MSOLQXFVSA-N 1 0 460.604 1.797 20 30 JDEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C[C@H]1C ZINC001502252444 1069933781 /nfs/dbraw/zinc/93/37/81/1069933781.db2.gz YCAKDJBCORENAE-QZTJIDSGSA-N 1 0 498.613 1.843 20 30 JDEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)Cc2ccon2)C[C@H]1C ZINC001502252443 1069934185 /nfs/dbraw/zinc/93/41/85/1069934185.db2.gz YCAKDJBCORENAE-MSOLQXFVSA-N 1 0 498.613 1.843 20 30 JDEDRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)C[C@H]1C ZINC001478334835 1069967272 /nfs/dbraw/zinc/96/72/72/1069967272.db2.gz IQWIUIURBYVVQJ-FPRSRYDQSA-N 1 0 474.627 1.775 20 30 JDEDRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)C[C@H]1C ZINC001478334837 1069968168 /nfs/dbraw/zinc/96/81/68/1069968168.db2.gz IQWIUIURBYVVQJ-PDSFRDGWSA-N 1 0 474.627 1.775 20 30 JDEDRO CC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC001502278641 1070007011 /nfs/dbraw/zinc/00/70/11/1070007011.db2.gz HLNGHXOQCFADFG-PKOBYXMFSA-N 1 0 460.604 1.940 20 30 JDEDRO CC[N@@H+]1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC001502278638 1070007278 /nfs/dbraw/zinc/00/72/78/1070007278.db2.gz HLNGHXOQCFADFG-HKUYNNGSSA-N 1 0 460.604 1.940 20 30 JDEDRO CC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CCOC)C(=O)C2)C1 ZINC001502279417 1070008384 /nfs/dbraw/zinc/00/83/84/1070008384.db2.gz WFQMINWRIQXSJX-HXUWFJFHSA-N 1 0 467.574 1.366 20 30 JDEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001502281795 1070015230 /nfs/dbraw/zinc/01/52/30/1070015230.db2.gz NNMIMWKCPMDQJL-LJQANCHMSA-N 1 0 451.579 1.494 20 30 JDEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)CC1 ZINC001502290511 1070028239 /nfs/dbraw/zinc/02/82/39/1070028239.db2.gz JLBNCECUTMQDGP-OAQYLSRUSA-N 1 0 453.591 1.981 20 30 JDEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001502291068 1070029324 /nfs/dbraw/zinc/02/93/24/1070029324.db2.gz UOVOAFPPPVYDHJ-SFHLNBCPSA-N 1 0 468.558 1.573 20 30 JDEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N ZINC001502296966 1070040638 /nfs/dbraw/zinc/04/06/38/1070040638.db2.gz RCXCRENKSNVLPD-RCCFBDPRSA-N 1 0 453.613 1.081 20 30 JDEDRO C#CC[N@@H+](C)CCCNC(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001478735212 1070045228 /nfs/dbraw/zinc/04/52/28/1070045228.db2.gz GKVCJQVDWZMEJT-IBGZPJMESA-N 1 0 451.612 1.831 20 30 JDEDRO C#CC[N@@H+](C)CCCNC(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001478735213 1070045516 /nfs/dbraw/zinc/04/55/16/1070045516.db2.gz GKVCJQVDWZMEJT-LJQANCHMSA-N 1 0 451.612 1.831 20 30 JDEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001502311064 1070077303 /nfs/dbraw/zinc/07/73/03/1070077303.db2.gz LSWKGAXQQIDGNF-YLJYHZDGSA-N 1 0 454.535 1.608 20 30 JDEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001502311757 1070080639 /nfs/dbraw/zinc/08/06/39/1070080639.db2.gz YUEHFQFFODPAPW-GOSISDBHSA-N 1 0 459.620 1.324 20 30 JDEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001502311758 1070080987 /nfs/dbraw/zinc/08/09/87/1070080987.db2.gz YUEHFQFFODPAPW-SFHVURJKSA-N 1 0 459.620 1.324 20 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CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001502339561 1070218033 /nfs/dbraw/zinc/21/80/33/1070218033.db2.gz AFBNGXLUTYBTJH-FQEVSTJZSA-N 1 0 480.617 1.979 20 30 JDEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CCOC)C(=O)C2)CC1 ZINC001502340938 1070222284 /nfs/dbraw/zinc/22/22/84/1070222284.db2.gz LEPZSWDYWDLXIE-OAQYLSRUSA-N 1 0 494.644 1.385 20 30 JDEDRO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001502341327 1070225636 /nfs/dbraw/zinc/22/56/36/1070225636.db2.gz SYQJPLXPKAALLZ-IBGZPJMESA-N 1 0 473.647 1.571 20 30 JDEDRO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001493168366 1070228785 /nfs/dbraw/zinc/22/87/85/1070228785.db2.gz DKVJOBWJKCQHDV-NQIIRXRSSA-N 1 0 478.601 1.426 20 30 JDEDRO CCN1CC[NH+](CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001502356115 1070290213 /nfs/dbraw/zinc/29/02/13/1070290213.db2.gz KBXWDBXSNZASSX-UHFFFAOYSA-N 1 0 480.617 1.315 20 30 JDEDRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001493509624 1070310305 /nfs/dbraw/zinc/31/03/05/1070310305.db2.gz OTFOHPJQAKHUIM-GJJHYRHESA-N 1 0 455.604 1.841 20 30 JDEDRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001493785616 1070344384 /nfs/dbraw/zinc/34/43/84/1070344384.db2.gz LQFDEKAHSLAHSG-FGTMMUONSA-N 1 0 453.613 1.129 20 30 JDEDRO C[C@@H]1CCC[N@H+](CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001493796546 1070348888 /nfs/dbraw/zinc/34/88/88/1070348888.db2.gz LPGFAJPOTBDZMC-UYAOXDASSA-N 1 0 487.630 1.656 20 30 JDEDRO C[C@H]1CCC[N@H+](CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001493796542 1070349086 /nfs/dbraw/zinc/34/90/86/1070349086.db2.gz LPGFAJPOTBDZMC-AZUAARDMSA-N 1 0 487.630 1.656 20 30 JDEDRO CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001502424397 1070368061 /nfs/dbraw/zinc/36/80/61/1070368061.db2.gz ITNKRKXFLYXWBD-UHFFFAOYSA-N 1 0 496.685 1.902 20 30 JDEDRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001494108927 1070398741 /nfs/dbraw/zinc/39/87/41/1070398741.db2.gz YUFNNFSQVDRILO-SFHVURJKSA-N 1 0 450.591 1.510 20 30 JDEDRO C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CCCC2)n1CCOCC[NH+](C)C ZINC001494138054 1070429875 /nfs/dbraw/zinc/42/98/75/1070429875.db2.gz VGFVJDALOHETLO-LJQANCHMSA-N 1 0 467.622 1.966 20 30 JDEDRO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC[NH+](C)C)C[C@H]1N1CCOCC1 ZINC001494237532 1070516416 /nfs/dbraw/zinc/51/64/16/1070516416.db2.gz ZUZRSRRIYXZRAI-SIKLNZKXSA-N 1 0 453.591 1.552 20 30 JDEDRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001502471771 1070531975 /nfs/dbraw/zinc/53/19/75/1070531975.db2.gz HROJEFULTOSTBU-SIKLNZKXSA-N 1 0 489.671 1.772 20 30 JDEDRO C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC(=O)N1C ZINC001494481086 1070600095 /nfs/dbraw/zinc/60/00/95/1070600095.db2.gz ZBEAVTCTMXJHDK-CTNGQTDRSA-N 1 0 481.601 1.633 20 30 JDEDRO 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C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001507516362 1072594344 /nfs/dbraw/zinc/59/43/44/1072594344.db2.gz BXGQQNGPFBXGRE-HKUYNNGSSA-N 1 0 473.647 1.851 20 30 JDEDRO C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001507535045 1072598204 /nfs/dbraw/zinc/59/82/04/1072598204.db2.gz XADYZHLLWGZTMT-RTBURBONSA-N 1 0 463.586 1.887 20 30 JDEDRO C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001507536479 1072598526 /nfs/dbraw/zinc/59/85/26/1072598526.db2.gz DYSSCZVEUKHSMK-FPOVZHCZSA-N 1 0 462.602 1.917 20 30 JDEDRO C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001507536485 1072598768 /nfs/dbraw/zinc/59/87/68/1072598768.db2.gz DYSSCZVEUKHSMK-TZIWHRDSSA-N 1 0 462.602 1.917 20 30 JDEDRO C#C[C@@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC(C)(C)C(=O)NC ZINC001507543840 1072605520 /nfs/dbraw/zinc/60/55/20/1072605520.db2.gz XIWPKSMQEMKSQZ-HXUWFJFHSA-N 1 0 451.619 1.873 20 30 JDEDRO C#C[C@@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCN1CCOC[C@@H]1C ZINC001507543196 1072605660 /nfs/dbraw/zinc/60/56/60/1072605660.db2.gz VIRHKGRGHQUSGB-PKTZIBPZSA-N 1 0 465.646 1.821 20 30 JDEDRO C#C[C@@H](C)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCSC1 ZINC001507540599 1072605804 /nfs/dbraw/zinc/60/58/04/1072605804.db2.gz FPDUYEFEQZUYPY-HYBUGGRVSA-N 1 0 454.644 1.969 20 30 JDEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001507545817 1072606504 /nfs/dbraw/zinc/60/65/04/1072606504.db2.gz BLVWEMDLCQILBC-XMMPIXPASA-N 1 0 483.642 1.910 20 30 JDEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001507545814 1072606735 /nfs/dbraw/zinc/60/67/35/1072606735.db2.gz BLVWEMDLCQILBC-DEOSSOPVSA-N 1 0 483.642 1.910 20 30 JDEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC2)c1 ZINC001507546364 1072606811 /nfs/dbraw/zinc/60/68/11/1072606811.db2.gz GAFLRZIQSNJZBA-QGZVFWFLSA-N 1 0 473.603 1.040 20 30 JDEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001507545654 1072606870 /nfs/dbraw/zinc/60/68/70/1072606870.db2.gz ABUGNIRMADESMF-JOCHJYFZSA-N 1 0 495.628 1.829 20 30 JDEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001507551020 1072612908 /nfs/dbraw/zinc/61/29/08/1072612908.db2.gz UDRFAUZOKHZBAF-YADHBBJMSA-N 1 0 493.612 1.642 20 30 JDEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCN2CC[NH+](CC)CC2)c1 ZINC001507550541 1072613022 /nfs/dbraw/zinc/61/30/22/1072613022.db2.gz MHNJULOJKLZEPN-QFIPXVFZSA-N 1 0 479.629 1.866 20 30 JDEDRO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)C[NH+]2CCCC2)c1 ZINC001507551764 1072613990 /nfs/dbraw/zinc/61/39/90/1072613990.db2.gz YUBFMAGNZSUXLL-TZIWHRDSSA-N 1 0 498.653 1.968 20 30 JDEDRO C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001507563869 1072621582 /nfs/dbraw/zinc/62/15/82/1072621582.db2.gz KBJCYKLMBQXCRL-HXUWFJFHSA-N 1 0 473.647 1.781 20 30 JDEDRO C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001507564394 1072622856 /nfs/dbraw/zinc/62/28/56/1072622856.db2.gz PHZZRYXLVLRVFF-YADHBBJMSA-N 1 0 492.690 1.215 20 30 JDEDRO C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001507576969 1072629463 /nfs/dbraw/zinc/62/94/63/1072629463.db2.gz NYHCHFYZQZDXMZ-LJQANCHMSA-N 1 0 474.631 1.766 20 30 JDEDRO C#CCCCCn1c(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001507576619 1072629679 /nfs/dbraw/zinc/62/96/79/1072629679.db2.gz YTTQWKXTSJGXCD-RDPSFJRHSA-N 1 0 458.607 1.477 20 30 JDEDRO C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001507589723 1072634722 /nfs/dbraw/zinc/63/47/22/1072634722.db2.gz ZFZXPEBCADPVTF-IBGZPJMESA-N 1 0 452.625 1.335 20 30 JDEDRO C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001507616109 1072640401 /nfs/dbraw/zinc/64/04/01/1072640401.db2.gz GJBFVMGRHLBOOI-ROUUACIJSA-N 1 0 478.644 1.579 20 30 JDEDRO C#CCN(c1nnc(C(=O)NC(C)C)n1CC1CC[NH+](CCC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507622615 1072648232 /nfs/dbraw/zinc/64/82/32/1072648232.db2.gz JWUBNWKSEPQCLK-LJQANCHMSA-N 1 0 464.636 1.165 20 30 JDEDRO C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507622627 1072648248 /nfs/dbraw/zinc/64/82/48/1072648248.db2.gz JXWSDZKQZLRCSB-WOJBJXKFSA-N 1 0 490.674 1.651 20 30 JDEDRO C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[N@H+](C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001507624500 1072654395 /nfs/dbraw/zinc/65/43/95/1072654395.db2.gz APMYQMNNZAIZLR-SIKLNZKXSA-N 1 0 467.636 1.286 20 30 JDEDRO C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507624827 1072656298 /nfs/dbraw/zinc/65/62/98/1072656298.db2.gz DZDPFTIIEWBXTN-WIYYLYMNSA-N 1 0 463.991 1.292 20 30 JDEDRO C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H]1CCC[N@@H+]1CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC001507627808 1072667504 /nfs/dbraw/zinc/66/75/04/1072667504.db2.gz FZJUMPTWZAHORF-VQTJNVASSA-N 1 0 487.626 1.427 20 30 JDEDRO C#CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001507629820 1072675505 /nfs/dbraw/zinc/67/55/05/1072675505.db2.gz WRMYDTCYTFZCAS-VGOFRKELSA-N 1 0 494.017 1.300 20 30 JDEDRO C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)CN1CC[NH+](CC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507630630 1072681514 /nfs/dbraw/zinc/68/15/14/1072681514.db2.gz DOVSVHGCSRPHLQ-IFMALSPDSA-N 1 0 499.685 1.549 20 30 JDEDRO C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+](C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001507631130 1072685586 /nfs/dbraw/zinc/68/55/86/1072685586.db2.gz BKCBKZVEBAGYCL-WOJBJXKFSA-N 1 0 499.703 1.316 20 30 JDEDRO C#CCN(c1nnc(-c2cccnc2)n1CC1(SC)CC[NH+](C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507631267 1072686206 /nfs/dbraw/zinc/68/62/06/1072686206.db2.gz NEKIAMIHERZBNF-LJQANCHMSA-N 1 0 474.656 1.794 20 30 JDEDRO C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCC[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507631514 1072688761 /nfs/dbraw/zinc/68/87/61/1072688761.db2.gz QFFCJVGDKYKPIR-OAQYLSRUSA-N 1 0 473.647 1.962 20 30 JDEDRO C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCCC[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507631810 1072690741 /nfs/dbraw/zinc/69/07/41/1072690741.db2.gz GIFMREREGNLIGA-VQTJNVASSA-N 1 0 476.647 1.512 20 30 JDEDRO C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C(CC)CC)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001507631903 1072691839 /nfs/dbraw/zinc/69/18/39/1072691839.db2.gz HAWQKDPVSPWJCK-GBESFXJTSA-N 1 0 464.636 1.222 20 30 JDEDRO C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)CN1CC[NH+](CC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001507633164 1072701137 /nfs/dbraw/zinc/70/11/37/1072701137.db2.gz BZVZOEAAJVWADX-GGAORHGYSA-N 1 0 499.685 1.164 20 30 JDEDRO C#CCN(c1nnc([C@@H]2CCOC2)n1CCCC[NH+]1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507633974 1072706097 /nfs/dbraw/zinc/70/60/97/1072706097.db2.gz VXURCZJEAYNULH-NHCUHLMSSA-N 1 0 463.648 1.921 20 30 JDEDRO C#CCN(c1nnc(CC2CC2)n1CC(C)(C)[NH+]1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001507634532 1072707572 /nfs/dbraw/zinc/70/75/72/1072707572.db2.gz KXCWIMBDYVRIBB-LJQANCHMSA-N 1 0 463.648 1.747 20 30 JDEDRO C#CCN(c1nnc(Cc2csc(C)n2)n1CC[N@H+]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001507635002 1072710088 /nfs/dbraw/zinc/71/00/88/1072710088.db2.gz OWPIZTCSHQHNEZ-APWZRJJASA-N 1 0 462.645 1.745 20 30 JDEDRO C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCC[N@H+]1CCCO)[C@@H]1CCS(=O)(=O)C1 ZINC001507635616 1072713330 /nfs/dbraw/zinc/71/33/30/1072713330.db2.gz XVMWGWAMHJDNFY-FCHUYYIVSA-N 1 0 489.617 1.482 20 30 JDEDRO C#CCN(c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001507638441 1072721191 /nfs/dbraw/zinc/72/11/91/1072721191.db2.gz RABNTWQXWFNQQY-AKHDSKFASA-N 1 0 494.662 1.626 20 30 JDEDRO C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1([NH+](C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001507639091 1072725027 /nfs/dbraw/zinc/72/50/27/1072725027.db2.gz VPWGBBNROCDGQT-ACRUOGEOSA-N 1 0 493.674 1.893 20 30 JDEDRO C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[N@@H+](CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001507640055 1072730083 /nfs/dbraw/zinc/73/00/83/1072730083.db2.gz OIQPREOXMNVZRQ-PMACEKPBSA-N 1 0 459.620 1.108 20 30 JDEDRO C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001507651222 1072741040 /nfs/dbraw/zinc/74/10/40/1072741040.db2.gz HVUIWFLPCCGYMC-UHFFFAOYSA-N 1 0 454.582 1.922 20 30 JDEDRO C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001507652207 1072741924 /nfs/dbraw/zinc/74/19/24/1072741924.db2.gz FBWUNKKGORKFPJ-RTWAWAEBSA-N 1 0 486.617 1.506 20 30 JDEDRO C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001507652205 1072741954 /nfs/dbraw/zinc/74/19/54/1072741954.db2.gz FBWUNKKGORKFPJ-NHCUHLMSSA-N 1 0 486.617 1.506 20 30 JDEDRO C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001507653525 1072744741 /nfs/dbraw/zinc/74/47/41/1072744741.db2.gz RBCCCJYRBYNNRB-LJQANCHMSA-N 1 0 451.575 1.352 20 30 JDEDRO C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001507654025 1072746465 /nfs/dbraw/zinc/74/64/65/1072746465.db2.gz 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