smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1c(Cl)nccc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164766967 721271951 /nfs/dbraw/zinc/27/19/51/721271951.db2.gz PPTOBCCKYNDPMB-CQSZACIVSA-N 1 2 430.846 3.458 20 30 IGEDLO CC(C)C[NH+]1CCN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccccc2)CC1 ZINC001164657632 719337203 /nfs/dbraw/zinc/33/72/03/719337203.db2.gz VLDFWQDLVMPXGZ-QFIPXVFZSA-N 1 2 449.580 3.446 20 30 IGEDLO CC(C)C[NH+]1CCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccccc2)CC1 ZINC001164657631 719337282 /nfs/dbraw/zinc/33/72/82/719337282.db2.gz VLDFWQDLVMPXGZ-JOCHJYFZSA-N 1 2 449.580 3.446 20 30 IGEDLO N#Cc1cnc(Cl)cc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770044 721274785 /nfs/dbraw/zinc/27/47/85/721274785.db2.gz SWDMTZPFDVXKGU-AWEZNQCLSA-N 1 2 430.846 3.458 20 30 IGEDLO N#Cc1c(Cl)cc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164949410 721981047 /nfs/dbraw/zinc/98/10/47/721981047.db2.gz PNXSPYRTPFQFNT-UHFFFAOYSA-N 1 2 430.339 3.231 20 30 IGEDLO N#Cc1c(Cl)cc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164949410 721981050 /nfs/dbraw/zinc/98/10/50/721981050.db2.gz PNXSPYRTPFQFNT-UHFFFAOYSA-N 1 2 430.339 3.231 20 30 IGEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccccc1 ZINC001164638445 719236802 /nfs/dbraw/zinc/23/68/02/719236802.db2.gz ZDXNKSWYACDPHF-LZJOCLMNSA-N 1 2 435.553 3.197 20 30 IGEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccccc1 ZINC001164638445 719236806 /nfs/dbraw/zinc/23/68/06/719236806.db2.gz ZDXNKSWYACDPHF-LZJOCLMNSA-N 1 2 435.553 3.197 20 30 IGEDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C#N)c(OC)n1)CC2 ZINC001164663918 719347849 /nfs/dbraw/zinc/34/78/49/719347849.db2.gz PBLRKGOEJILFBM-UHFFFAOYSA-N 1 2 429.528 3.052 20 30 IGEDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C#N)c(OC)n1)CC2 ZINC001164663918 719347851 /nfs/dbraw/zinc/34/78/51/719347851.db2.gz PBLRKGOEJILFBM-UHFFFAOYSA-N 1 2 429.528 3.052 20 30 IGEDLO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056235 722015139 /nfs/dbraw/zinc/01/51/39/722015139.db2.gz QAMCOFKLNALGDJ-UHFFFAOYSA-N 1 2 449.889 3.088 20 30 IGEDLO C[C@@H]1CN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccccc2)[C@@H](C)C[N@@H+]1C ZINC001164638446 719236950 /nfs/dbraw/zinc/23/69/50/719236950.db2.gz ZDXNKSWYACDPHF-WWMYMODYSA-N 1 2 435.553 3.197 20 30 IGEDLO C[C@@H]1CN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccccc2)[C@@H](C)C[N@H+]1C ZINC001164638446 719236957 /nfs/dbraw/zinc/23/69/57/719236957.db2.gz ZDXNKSWYACDPHF-WWMYMODYSA-N 1 2 435.553 3.197 20 30 IGEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2cc(F)ccc2c(Cl)c1C#N ZINC001164700807 719879660 /nfs/dbraw/zinc/87/96/60/719879660.db2.gz MAIPYQNNEGVTOX-IVZQSRNASA-N 1 2 446.910 3.132 20 30 IGEDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C#N)c5ccccc5n4)CC3)C2=O)cs1 ZINC001164819309 720378603 /nfs/dbraw/zinc/37/86/03/720378603.db2.gz BSDZBRJHIMQJDZ-UHFFFAOYSA-N 1 2 446.580 3.185 20 30 IGEDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C#N)c5ccccc5n4)CC3)C2=O)cs1 ZINC001164819309 720378611 /nfs/dbraw/zinc/37/86/11/720378611.db2.gz BSDZBRJHIMQJDZ-UHFFFAOYSA-N 1 2 446.580 3.185 20 30 IGEDLO N#Cc1cnc(Cl)cc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770045 721274212 /nfs/dbraw/zinc/27/42/12/721274212.db2.gz SWDMTZPFDVXKGU-CQSZACIVSA-N 1 2 430.846 3.458 20 30 IGEDLO Cc1ccc([C@@H](C#N)c2ccc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nn2)cc1 ZINC001165007108 721695872 /nfs/dbraw/zinc/69/58/72/721695872.db2.gz APVVYJUCGISIEZ-HXUWFJFHSA-N 1 2 430.560 3.283 20 30 IGEDLO Cc1ccc([C@@H](C#N)c2ccc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nn2)cc1 ZINC001165007108 721695877 /nfs/dbraw/zinc/69/58/77/721695877.db2.gz APVVYJUCGISIEZ-HXUWFJFHSA-N 1 2 430.560 3.283 20 30 IGEDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C(C)C)ccc4C#N)CC3)C2=O)cs1 ZINC001164825816 720361311 /nfs/dbraw/zinc/36/13/11/720361311.db2.gz VCJXPEBYBQDJSJ-UHFFFAOYSA-N 1 2 438.601 3.155 20 30 IGEDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C(C)C)ccc4C#N)CC3)C2=O)cs1 ZINC001164825816 720361317 /nfs/dbraw/zinc/36/13/17/720361317.db2.gz VCJXPEBYBQDJSJ-UHFFFAOYSA-N 1 2 438.601 3.155 20 30 IGEDLO N#Cc1ccc(Cl)nc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770702 721274010 /nfs/dbraw/zinc/27/40/10/721274010.db2.gz XEPWZKMOVTUOKH-AWEZNQCLSA-N 1 2 430.846 3.458 20 30 IGEDLO CCCc1cc(C#N)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1Cl ZINC001164914082 721786563 /nfs/dbraw/zinc/78/65/63/721786563.db2.gz BDSKUORKUVNMJO-HSZRJFAPSA-N 1 2 441.963 3.062 20 30 IGEDLO CCCc1cc(C#N)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1Cl ZINC001164914082 721786565 /nfs/dbraw/zinc/78/65/65/721786565.db2.gz BDSKUORKUVNMJO-HSZRJFAPSA-N 1 2 441.963 3.062 20 30 IGEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccc(C)cc2c(Cl)c1C#N ZINC001164700812 719880871 /nfs/dbraw/zinc/88/08/71/719880871.db2.gz MBAOFTQCIRTTBV-MWTRTKDXSA-N 1 2 442.947 3.301 20 30 IGEDLO N#Cc1c(Cl)nccc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164766964 721272120 /nfs/dbraw/zinc/27/21/20/721272120.db2.gz PPTOBCCKYNDPMB-AWEZNQCLSA-N 1 2 430.846 3.458 20 30 IGEDLO C[C@@H]1CN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccccc2)[C@@H](C)C[N@@H+]1C ZINC001164638444 719236213 /nfs/dbraw/zinc/23/62/13/719236213.db2.gz ZDXNKSWYACDPHF-LLGFUMIMSA-N 1 2 435.553 3.197 20 30 IGEDLO C[C@@H]1CN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccccc2)[C@@H](C)C[N@H+]1C ZINC001164638444 719236220 /nfs/dbraw/zinc/23/62/20/719236220.db2.gz ZDXNKSWYACDPHF-LLGFUMIMSA-N 1 2 435.553 3.197 20 30 IGEDLO N#Cc1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)cc(Cl)n1 ZINC001164767059 721273590 /nfs/dbraw/zinc/27/35/90/721273590.db2.gz FDTPINNBTFJXKZ-AWEZNQCLSA-N 1 2 430.846 3.458 20 30 IGEDLO N#Cc1cc(Cl)ncc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164768077 721275703 /nfs/dbraw/zinc/27/57/03/721275703.db2.gz JLBUIRJOKYQVCB-CQSZACIVSA-N 1 2 430.846 3.458 20 30 IGEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccc(C)cc2c(Cl)c1C#N ZINC001164700814 719881096 /nfs/dbraw/zinc/88/10/96/719881096.db2.gz MBAOFTQCIRTTBV-WAIKUNEKSA-N 1 2 442.947 3.301 20 30 IGEDLO COc1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c(C#N)c(Cl)n1 ZINC001164756085 720978711 /nfs/dbraw/zinc/97/87/11/720978711.db2.gz DTDIDVHIEPTVMZ-AWEZNQCLSA-N 1 2 437.878 3.420 20 30 IGEDLO C=CCOCc1nn(C)c2c1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164781570 721445978 /nfs/dbraw/zinc/44/59/78/721445978.db2.gz GJTOWNXYVXCMSF-UHFFFAOYSA-N 1 2 430.556 3.034 20 30 IGEDLO C=CCOCc1nn(C)c2c1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164781570 721445981 /nfs/dbraw/zinc/44/59/81/721445981.db2.gz GJTOWNXYVXCMSF-UHFFFAOYSA-N 1 2 430.556 3.034 20 30 IGEDLO Cc1ccc([C@H](C#N)c2ccc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nn2)cc1 ZINC001165007107 721694975 /nfs/dbraw/zinc/69/49/75/721694975.db2.gz APVVYJUCGISIEZ-FQEVSTJZSA-N 1 2 430.560 3.283 20 30 IGEDLO Cc1ccc([C@H](C#N)c2ccc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nn2)cc1 ZINC001165007107 721694983 /nfs/dbraw/zinc/69/49/83/721694983.db2.gz APVVYJUCGISIEZ-FQEVSTJZSA-N 1 2 430.560 3.283 20 30 IGEDLO Cc1c(Cl)c(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C#N ZINC001164912893 721774349 /nfs/dbraw/zinc/77/43/49/721774349.db2.gz RLSJWXGIZPBWFW-OAQYLSRUSA-N 1 2 448.354 3.071 20 30 IGEDLO Cc1c(Cl)c(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C#N ZINC001164912893 721774351 /nfs/dbraw/zinc/77/43/51/721774351.db2.gz RLSJWXGIZPBWFW-OAQYLSRUSA-N 1 2 448.354 3.071 20 30 IGEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccc(C)cc2c(Cl)c1C#N ZINC001164700811 719880987 /nfs/dbraw/zinc/88/09/87/719880987.db2.gz MBAOFTQCIRTTBV-HJPURHCSSA-N 1 2 442.947 3.301 20 30 IGEDLO N#Cc1cc(Cl)ncc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164768075 721275221 /nfs/dbraw/zinc/27/52/21/721275221.db2.gz JLBUIRJOKYQVCB-AWEZNQCLSA-N 1 2 430.846 3.458 20 30 IGEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc([C@H](C#N)c3ccccc3F)nn1)C2 ZINC001165008600 721706732 /nfs/dbraw/zinc/70/67/32/721706732.db2.gz IEXOIYIZUZAKEG-GOSISDBHSA-N 1 2 434.523 3.113 20 30 IGEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc([C@H](C#N)c3ccccc3F)nn1)C2 ZINC001165008600 721706733 /nfs/dbraw/zinc/70/67/33/721706733.db2.gz IEXOIYIZUZAKEG-GOSISDBHSA-N 1 2 434.523 3.113 20 30 IGEDLO N#Cc1nc(Cl)ccc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164766111 721273674 /nfs/dbraw/zinc/27/36/74/721273674.db2.gz NCRCEDAOOBKEFY-AWEZNQCLSA-N 1 2 430.846 3.458 20 30 IGEDLO N#Cc1c(Cl)c2ccccc2nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914285 721793213 /nfs/dbraw/zinc/79/32/13/721793213.db2.gz LFJMXOYLHLDXHF-DEOSSOPVSA-N 1 2 449.942 3.263 20 30 IGEDLO N#Cc1c(Cl)c2ccccc2nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914285 721793215 /nfs/dbraw/zinc/79/32/15/721793215.db2.gz LFJMXOYLHLDXHF-DEOSSOPVSA-N 1 2 449.942 3.263 20 30 IGEDLO COc1cc(C(F)(F)N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c(C#N)c(Cl)n1 ZINC001164784013 721416159 /nfs/dbraw/zinc/41/61/59/721416159.db2.gz JUIXXYFQBYSRMX-RYUDHWBXSA-N 1 2 425.892 3.185 20 30 IGEDLO C[Si](C)(C)C#Cc1cccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164948375 721976325 /nfs/dbraw/zinc/97/63/25/721976325.db2.gz YBISNONRUIDTRK-UHFFFAOYSA-N 1 2 432.644 3.282 20 30 IGEDLO C[Si](C)(C)C#Cc1cccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164948375 721976328 /nfs/dbraw/zinc/97/63/28/721976328.db2.gz YBISNONRUIDTRK-UHFFFAOYSA-N 1 2 432.644 3.282 20 30 IGEDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc5ccc(C#N)cc54)CC3)C2=O)cs1 ZINC001164824778 720366334 /nfs/dbraw/zinc/36/63/34/720366334.db2.gz KVHYLDBRUVATDU-UHFFFAOYSA-N 1 2 446.580 3.185 20 30 IGEDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc5ccc(C#N)cc54)CC3)C2=O)cs1 ZINC001164824778 720366338 /nfs/dbraw/zinc/36/63/38/720366338.db2.gz KVHYLDBRUVATDU-UHFFFAOYSA-N 1 2 446.580 3.185 20 30 IGEDLO N#Cc1nc(Cl)ccc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164766113 721272987 /nfs/dbraw/zinc/27/29/87/721272987.db2.gz NCRCEDAOOBKEFY-CQSZACIVSA-N 1 2 430.846 3.458 20 30 IGEDLO N#Cc1cc(Cl)nc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)c1 ZINC001164770019 721274224 /nfs/dbraw/zinc/27/42/24/721274224.db2.gz SFDAKCWVXOCGIG-HNNXBMFYSA-N 1 2 430.846 3.458 20 30 IGEDLO N#Cc1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)cc(Cl)n1 ZINC001164767060 721273225 /nfs/dbraw/zinc/27/32/25/721273225.db2.gz FDTPINNBTFJXKZ-CQSZACIVSA-N 1 2 430.846 3.458 20 30 IGEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)C2 ZINC001165008601 721707522 /nfs/dbraw/zinc/70/75/22/721707522.db2.gz IEXOIYIZUZAKEG-SFHVURJKSA-N 1 2 434.523 3.113 20 30 IGEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)C2 ZINC001165008601 721707528 /nfs/dbraw/zinc/70/75/28/721707528.db2.gz IEXOIYIZUZAKEG-SFHVURJKSA-N 1 2 434.523 3.113 20 30 IGEDLO N#Cc1ccc(-c2cccs2)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914195 721795446 /nfs/dbraw/zinc/79/54/46/721795446.db2.gz KQUXTLXDCBNWOX-XMMPIXPASA-N 1 2 447.564 3.185 20 30 IGEDLO N#Cc1ccc(-c2cccs2)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914195 721795456 /nfs/dbraw/zinc/79/54/56/721795456.db2.gz KQUXTLXDCBNWOX-XMMPIXPASA-N 1 2 447.564 3.185 20 30 IGEDLO N#Cc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc2ccc(Cl)cc12 ZINC001164914972 721799419 /nfs/dbraw/zinc/79/94/19/721799419.db2.gz SISBQZDVVPOQLB-DEOSSOPVSA-N 1 2 449.942 3.263 20 30 IGEDLO N#Cc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc2ccc(Cl)cc12 ZINC001164914972 721799422 /nfs/dbraw/zinc/79/94/22/721799422.db2.gz SISBQZDVVPOQLB-DEOSSOPVSA-N 1 2 449.942 3.263 20 30 IGEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2cc(F)ccc2c(Cl)c1C#N ZINC001164700809 719879854 /nfs/dbraw/zinc/87/98/54/719879854.db2.gz MAIPYQNNEGVTOX-OYHNWAKOSA-N 1 2 446.910 3.132 20 30 IGEDLO COc1cc(C(F)(F)N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c(C#N)c(Cl)n1 ZINC001164784019 721416164 /nfs/dbraw/zinc/41/61/64/721416164.db2.gz JUIXXYFQBYSRMX-VXGBXAGGSA-N 1 2 425.892 3.185 20 30 IGEDLO COc1cc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@H+]3C)c(C#N)c(Cl)n1 ZINC001164917838 721816982 /nfs/dbraw/zinc/81/69/82/721816982.db2.gz JCOVRZXRVBHCNF-UHFFFAOYSA-N 1 2 436.894 3.106 20 30 IGEDLO COc1cc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@@H+]3C)c(C#N)c(Cl)n1 ZINC001164917838 721816983 /nfs/dbraw/zinc/81/69/83/721816983.db2.gz JCOVRZXRVBHCNF-UHFFFAOYSA-N 1 2 436.894 3.106 20 30 IGEDLO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164826957 720396758 /nfs/dbraw/zinc/39/67/58/720396758.db2.gz FQAFMLOQAZZBOX-UHFFFAOYSA-N 1 2 439.257 3.052 20 30 IGEDLO N#Cc1c(Cl)c2ccccc2nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914286 721793445 /nfs/dbraw/zinc/79/34/45/721793445.db2.gz LFJMXOYLHLDXHF-XMMPIXPASA-N 1 2 449.942 3.263 20 30 IGEDLO N#Cc1c(Cl)c2ccccc2nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914286 721793447 /nfs/dbraw/zinc/79/34/47/721793447.db2.gz LFJMXOYLHLDXHF-XMMPIXPASA-N 1 2 449.942 3.263 20 30 IGEDLO N#Cc1ccc(-c2cccs2)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914192 721794629 /nfs/dbraw/zinc/79/46/29/721794629.db2.gz KQUXTLXDCBNWOX-DEOSSOPVSA-N 1 2 447.564 3.185 20 30 IGEDLO N#Cc1ccc(-c2cccs2)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914192 721794631 /nfs/dbraw/zinc/79/46/31/721794631.db2.gz KQUXTLXDCBNWOX-DEOSSOPVSA-N 1 2 447.564 3.185 20 30 IGEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccc(C)cc2c(Cl)c1C#N ZINC001164700813 719881126 /nfs/dbraw/zinc/88/11/26/719881126.db2.gz MBAOFTQCIRTTBV-QMHKHESXSA-N 1 2 442.947 3.301 20 30 IGEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc([C@@H](C#N)c3ccccc3F)nn2)CC1 ZINC001164918833 721816989 /nfs/dbraw/zinc/81/69/89/721816989.db2.gz VKDYJYKMBDXKIR-IBGZPJMESA-N 1 2 431.519 3.217 20 30 IGEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccccc1 ZINC001164638443 719236390 /nfs/dbraw/zinc/23/63/90/719236390.db2.gz ZDXNKSWYACDPHF-CBGDNZLLSA-N 1 2 435.553 3.197 20 30 IGEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccccc1 ZINC001164638443 719236395 /nfs/dbraw/zinc/23/63/95/719236395.db2.gz ZDXNKSWYACDPHF-CBGDNZLLSA-N 1 2 435.553 3.197 20 30 IGEDLO COc1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c(C#N)c(Cl)n1 ZINC001164756086 720978354 /nfs/dbraw/zinc/97/83/54/720978354.db2.gz DTDIDVHIEPTVMZ-CQSZACIVSA-N 1 2 437.878 3.420 20 30 IGEDLO N#Cc1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)nc1Cl ZINC001164763799 721272579 /nfs/dbraw/zinc/27/25/79/721272579.db2.gz GHOQEFFVAXZOQI-CQSZACIVSA-N 1 2 430.846 3.458 20 30 IGEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc([C@H](C#N)c3ccccc3F)nn2)CC1 ZINC001164918835 721817198 /nfs/dbraw/zinc/81/71/98/721817198.db2.gz VKDYJYKMBDXKIR-LJQANCHMSA-N 1 2 431.519 3.217 20 30 IGEDLO N#Cc1cc(Cl)nc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)c1 ZINC001164770020 721274718 /nfs/dbraw/zinc/27/47/18/721274718.db2.gz SFDAKCWVXOCGIG-OAHLLOKOSA-N 1 2 430.846 3.458 20 30 IGEDLO N#Cc1cc(C#N)c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1Cl ZINC001164672978 719505619 /nfs/dbraw/zinc/50/56/19/719505619.db2.gz LTVRSINWCIDATA-UHFFFAOYSA-N 1 2 425.895 3.489 20 30 IGEDLO N#Cc1cc(C#N)c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1Cl ZINC001164672978 719505622 /nfs/dbraw/zinc/50/56/22/719505622.db2.gz LTVRSINWCIDATA-UHFFFAOYSA-N 1 2 425.895 3.489 20 30 IGEDLO C[Si](C)(C)C#Cc1ccnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164947373 721980994 /nfs/dbraw/zinc/98/09/94/721980994.db2.gz HBDAWCGQBKCHIH-UHFFFAOYSA-N 1 2 432.644 3.282 20 30 IGEDLO C[Si](C)(C)C#Cc1ccnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164947373 721980999 /nfs/dbraw/zinc/98/09/99/721980999.db2.gz HBDAWCGQBKCHIH-UHFFFAOYSA-N 1 2 432.644 3.282 20 30 IGEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2cc(F)ccc2c(Cl)c1C#N ZINC001164700808 719879600 /nfs/dbraw/zinc/87/96/00/719879600.db2.gz MAIPYQNNEGVTOX-NYHFZMIOSA-N 1 2 446.910 3.132 20 30 IGEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc([C@H](C#N)c3ccc(C)cc3)nn2)CC1 ZINC001164918277 721812938 /nfs/dbraw/zinc/81/29/38/721812938.db2.gz QHURZAAMIYZHKI-OAQYLSRUSA-N 1 2 427.556 3.387 20 30 IGEDLO N#Cc1ccc(Cl)nc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770703 721274477 /nfs/dbraw/zinc/27/44/77/721274477.db2.gz XEPWZKMOVTUOKH-CQSZACIVSA-N 1 2 430.846 3.458 20 30 IGEDLO Cc1c(Cl)c(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C#N ZINC001164912889 721774127 /nfs/dbraw/zinc/77/41/27/721774127.db2.gz RLSJWXGIZPBWFW-NRFANRHFSA-N 1 2 448.354 3.071 20 30 IGEDLO Cc1c(Cl)c(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C#N ZINC001164912889 721774129 /nfs/dbraw/zinc/77/41/29/721774129.db2.gz RLSJWXGIZPBWFW-NRFANRHFSA-N 1 2 448.354 3.071 20 30 IGEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc([C@@H](C#N)c3ccc(C)cc3)nn2)CC1 ZINC001164918276 721813021 /nfs/dbraw/zinc/81/30/21/721813021.db2.gz QHURZAAMIYZHKI-NRFANRHFSA-N 1 2 427.556 3.387 20 30 IGEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2cc(F)ccc2c(Cl)c1C#N ZINC001164700810 719879835 /nfs/dbraw/zinc/87/98/35/719879835.db2.gz MAIPYQNNEGVTOX-QRQCRPRQSA-N 1 2 446.910 3.132 20 30 IGEDLO N#Cc1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)nc1Cl ZINC001164763797 721272386 /nfs/dbraw/zinc/27/23/86/721272386.db2.gz GHOQEFFVAXZOQI-AWEZNQCLSA-N 1 2 430.846 3.458 20 30 IGEDLO COc1cc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c(C#N)c(Cl)n1 ZINC001164784016 721416603 /nfs/dbraw/zinc/41/66/03/721416603.db2.gz JUIXXYFQBYSRMX-TXEJJXNPSA-N 1 2 425.892 3.185 20 30 IGEDLO COc1cc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c(C#N)c(Cl)n1 ZINC001164784016 721416605 /nfs/dbraw/zinc/41/66/05/721416605.db2.gz JUIXXYFQBYSRMX-TXEJJXNPSA-N 1 2 425.892 3.185 20 30 IGEDLO CCCc1cc(C#N)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1Cl ZINC001164914083 721786904 /nfs/dbraw/zinc/78/69/04/721786904.db2.gz BDSKUORKUVNMJO-QHCPKHFHSA-N 1 2 441.963 3.062 20 30 IGEDLO CCCc1cc(C#N)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1Cl ZINC001164914083 721786906 /nfs/dbraw/zinc/78/69/06/721786906.db2.gz BDSKUORKUVNMJO-QHCPKHFHSA-N 1 2 441.963 3.062 20 30 IGEDLO N#Cc1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)cnc1Cl ZINC001164770683 721274407 /nfs/dbraw/zinc/27/44/07/721274407.db2.gz WVPXHYFHRXWSMB-AWEZNQCLSA-N 1 2 430.846 3.458 20 30 IGEDLO N#Cc1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)cnc1Cl ZINC001164770684 721274459 /nfs/dbraw/zinc/27/44/59/721274459.db2.gz WVPXHYFHRXWSMB-CQSZACIVSA-N 1 2 430.846 3.458 20 30 IGEDLO COc1cc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)c(C#N)c(Cl)n1 ZINC001164873516 721219991 /nfs/dbraw/zinc/21/99/91/721219991.db2.gz RUHAYIZUJJJXBL-UHFFFAOYSA-N 1 2 449.889 3.431 20 30 IGEDLO N#Cc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc2ccc(Cl)cc12 ZINC001164914973 721798863 /nfs/dbraw/zinc/79/88/63/721798863.db2.gz SISBQZDVVPOQLB-XMMPIXPASA-N 1 2 449.942 3.263 20 30 IGEDLO N#Cc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc2ccc(Cl)cc12 ZINC001164914973 721798865 /nfs/dbraw/zinc/79/88/65/721798865.db2.gz SISBQZDVVPOQLB-XMMPIXPASA-N 1 2 449.942 3.263 20 30 IGEDLO N#Cc1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(Cl)cc1Cl ZINC001164946407 721980744 /nfs/dbraw/zinc/98/07/44/721980744.db2.gz FDZSQBIDDVORKU-UHFFFAOYSA-N 1 2 430.339 3.231 20 30 IGEDLO N#Cc1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(Cl)cc1Cl ZINC001164946407 721980745 /nfs/dbraw/zinc/98/07/45/721980745.db2.gz FDZSQBIDDVORKU-UHFFFAOYSA-N 1 2 430.339 3.231 20 30 IGEDLO