smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123802062 508740324 /nfs/dbraw/zinc/74/03/24/508740324.db2.gz LTPZJJDYARHLOR-JXFKEZNVSA-N 2 2 360.465 2.601 10 30 FFEELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123802062 508740330 /nfs/dbraw/zinc/74/03/30/508740330.db2.gz LTPZJJDYARHLOR-JXFKEZNVSA-N 2 2 360.465 2.601 10 30 FFEELP Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CC[C@H](C)[C@H](n3cc[nH+]c3)C1)CCC2 ZINC000328692342 511915851 /nfs/dbraw/zinc/91/58/51/511915851.db2.gz FHACNFAEOOXJCL-BHYGNILZSA-N 2 2 356.474 2.763 10 30 FFEELP CC(C)C[NH+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329283717 967615801 /nfs/dbraw/zinc/61/58/01/967615801.db2.gz OCSAELCJDOZNDI-MRXNPFEDSA-N 2 2 361.534 2.683 10 30 FFEELP CCO[C@@H]1C[C@@](O)(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000189420295 509567405 /nfs/dbraw/zinc/56/74/05/509567405.db2.gz SBESJRDIYQYDOL-IFMALSPDSA-N 2 2 371.525 2.678 10 30 FFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H]3CC[C@@H](C1)[N@@H+]3C(C)C)CCC2 ZINC000328718868 511920623 /nfs/dbraw/zinc/92/06/23/511920623.db2.gz QAFLDGBHVGJPED-KSZLIROESA-N 2 2 359.518 2.930 10 30 FFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H]3CC[C@@H](C1)[N@H+]3C(C)C)CCC2 ZINC000328718868 511920627 /nfs/dbraw/zinc/92/06/27/511920627.db2.gz QAFLDGBHVGJPED-KSZLIROESA-N 2 2 359.518 2.930 10 30 FFEELP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCn2cc[nH+]c2C1 ZINC000329025274 511969825 /nfs/dbraw/zinc/96/98/25/511969825.db2.gz VEHQMSPADOJEJY-QGZVFWFLSA-N 2 2 367.497 2.708 10 30 FFEELP CC[NH+]1CCN(c2ccc(CNc3cc(C)[nH+]c(C)c3C#N)cn2)CC1 ZINC000301789844 258067979 /nfs/dbraw/zinc/06/79/79/258067979.db2.gz QFOVAKVFNMHVGN-UHFFFAOYSA-N 2 2 350.470 2.719 10 30 FFEELP COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000246341539 510436555 /nfs/dbraw/zinc/43/65/55/510436555.db2.gz FJIFHPILWWPMHW-YLJYHZDGSA-N 2 2 364.449 2.910 10 30 FFEELP COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000246341539 510436559 /nfs/dbraw/zinc/43/65/59/510436559.db2.gz FJIFHPILWWPMHW-YLJYHZDGSA-N 2 2 364.449 2.910 10 30 FFEELP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC([O-])=[NH+]C1CC[NH+](C3CC3)CC1)C2 ZINC000329251144 512013901 /nfs/dbraw/zinc/01/39/01/512013901.db2.gz XYFOPMFSEKOHJJ-OAHLLOKOSA-N 2 2 359.518 2.626 10 30 FFEELP Cc1cccc(NC(=[NH2+])NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000104170615 1009931339 /nfs/dbraw/zinc/93/13/39/1009931339.db2.gz WAICTGUWHZZTTD-SFHVURJKSA-N 2 2 351.498 2.932 10 30 FFEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000106214880 250256522 /nfs/dbraw/zinc/25/65/22/250256522.db2.gz OHUKFJJORVISQE-RDJZCZTQSA-N 2 2 351.454 2.981 10 30 FFEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000106214880 250256531 /nfs/dbraw/zinc/25/65/31/250256531.db2.gz OHUKFJJORVISQE-RDJZCZTQSA-N 2 2 351.454 2.981 10 30 FFEELP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)CCO1 ZINC000092079610 508041745 /nfs/dbraw/zinc/04/17/45/508041745.db2.gz NFRMEDTVLJPRSX-GOSISDBHSA-N 2 2 356.514 2.722 10 30 FFEELP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)CCO1 ZINC000092079610 508041747 /nfs/dbraw/zinc/04/17/47/508041747.db2.gz NFRMEDTVLJPRSX-GOSISDBHSA-N 2 2 356.514 2.722 10 30 FFEELP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000245630050 510049270 /nfs/dbraw/zinc/04/92/70/510049270.db2.gz SBXFZHQMQZMNFS-JRGCBEDISA-N 2 2 365.477 2.702 10 30 FFEELP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000245630050 510049278 /nfs/dbraw/zinc/04/92/78/510049278.db2.gz SBXFZHQMQZMNFS-JRGCBEDISA-N 2 2 365.477 2.702 10 30 FFEELP C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1C ZINC000174889200 510368536 /nfs/dbraw/zinc/36/85/36/510368536.db2.gz ZJEFPYVSTUGRDS-HXUWFJFHSA-N 2 2 372.557 2.576 10 30 FFEELP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1C ZINC000174889200 510368541 /nfs/dbraw/zinc/36/85/41/510368541.db2.gz ZJEFPYVSTUGRDS-HXUWFJFHSA-N 2 2 372.557 2.576 10 30 FFEELP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195287549 510761183 /nfs/dbraw/zinc/76/11/83/510761183.db2.gz FLRKCZFEWYTDEY-LJQANCHMSA-N 2 2 350.466 2.916 10 30 FFEELP COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195287549 510761189 /nfs/dbraw/zinc/76/11/89/510761189.db2.gz FLRKCZFEWYTDEY-LJQANCHMSA-N 2 2 350.466 2.916 10 30 FFEELP COc1ccc(C#N)cc1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195287549 510761194 /nfs/dbraw/zinc/76/11/94/510761194.db2.gz FLRKCZFEWYTDEY-LJQANCHMSA-N 2 2 350.466 2.916 10 30 FFEELP COc1ccc(C#N)cc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195287549 510761203 /nfs/dbraw/zinc/76/12/03/510761203.db2.gz FLRKCZFEWYTDEY-LJQANCHMSA-N 2 2 350.466 2.916 10 30 FFEELP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+]C1CC[NH+](C3CC3)CC1)C2 ZINC000329251143 512013841 /nfs/dbraw/zinc/01/38/41/512013841.db2.gz XYFOPMFSEKOHJJ-HNNXBMFYSA-N 2 2 359.518 2.626 10 30 FFEELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329322002 512026647 /nfs/dbraw/zinc/02/66/47/512026647.db2.gz FIFPIKVSOFRMCL-OWCLPIDISA-N 2 2 359.518 2.578 10 30 FFEELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329322002 512026653 /nfs/dbraw/zinc/02/66/53/512026653.db2.gz FIFPIKVSOFRMCL-OWCLPIDISA-N 2 2 359.518 2.578 10 30 FFEELP C[C@H](C#N)Oc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000121205639 509149920 /nfs/dbraw/zinc/14/99/20/509149920.db2.gz FUVKLIJKOKVLOW-GOSISDBHSA-N 2 2 367.497 2.770 10 30 FFEELP C[C@H](C#N)Oc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000121205639 509149922 /nfs/dbraw/zinc/14/99/22/509149922.db2.gz FUVKLIJKOKVLOW-GOSISDBHSA-N 2 2 367.497 2.770 10 30 FFEELP Cc1sc(NC(=O)C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c(C#N)c1C ZINC000177137609 509894129 /nfs/dbraw/zinc/89/41/29/509894129.db2.gz BCPKQWDFACJBTJ-UHFFFAOYSA-N 2 2 371.510 2.863 10 30 FFEELP Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C#N)c1C ZINC000246098023 510291180 /nfs/dbraw/zinc/29/11/80/510291180.db2.gz HPVWWDGOOZNDOS-ZBFHGGJFSA-N 2 2 367.453 2.924 10 30 FFEELP Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C#N)c1C ZINC000246098023 510291184 /nfs/dbraw/zinc/29/11/84/510291184.db2.gz HPVWWDGOOZNDOS-ZBFHGGJFSA-N 2 2 367.453 2.924 10 30 FFEELP C[C@H]([NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000182086964 510749977 /nfs/dbraw/zinc/74/99/77/510749977.db2.gz VYZNPZPMQAFWPC-YYWHXJBOSA-N 2 2 365.477 2.875 10 30 FFEELP C[C@H]([NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000182086964 510749986 /nfs/dbraw/zinc/74/99/86/510749986.db2.gz VYZNPZPMQAFWPC-YYWHXJBOSA-N 2 2 365.477 2.875 10 30 FFEELP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC[C@@H]1C[NH+]1CCCC1)C2 ZINC000329233338 967567639 /nfs/dbraw/zinc/56/76/39/967567639.db2.gz LWZXYWNPTOREBI-DLBZAZTESA-N 2 2 373.545 2.970 10 30 FFEELP C=CCOc1cccc(C[NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)c1 ZINC000109069887 507936108 /nfs/dbraw/zinc/93/61/08/507936108.db2.gz FPWMQGDPROPDAJ-KRWDZBQOSA-N 2 2 353.470 2.842 10 30 FFEELP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248661519 509423798 /nfs/dbraw/zinc/42/37/98/509423798.db2.gz XDYQLUAVGFYNPA-QUCCMNQESA-N 2 2 358.530 2.648 10 30 FFEELP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248661519 509423804 /nfs/dbraw/zinc/42/38/04/509423804.db2.gz XDYQLUAVGFYNPA-QUCCMNQESA-N 2 2 358.530 2.648 10 30 FFEELP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248661519 509423808 /nfs/dbraw/zinc/42/38/08/509423808.db2.gz XDYQLUAVGFYNPA-QUCCMNQESA-N 2 2 358.530 2.648 10 30 FFEELP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248661519 509423812 /nfs/dbraw/zinc/42/38/12/509423812.db2.gz XDYQLUAVGFYNPA-QUCCMNQESA-N 2 2 358.530 2.648 10 30 FFEELP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000173196576 509448706 /nfs/dbraw/zinc/44/87/06/509448706.db2.gz IBELVKRUULXTRC-INIZCTEOSA-N 2 2 353.470 2.883 10 30 FFEELP N#CCCN(C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171648172 510277064 /nfs/dbraw/zinc/27/70/64/510277064.db2.gz UMEDWVSJOKWHSC-GOSISDBHSA-N 2 2 363.465 2.762 10 30 FFEELP N#CCCN(C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171648172 510277068 /nfs/dbraw/zinc/27/70/68/510277068.db2.gz UMEDWVSJOKWHSC-GOSISDBHSA-N 2 2 363.465 2.762 10 30 FFEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000178754060 510756157 /nfs/dbraw/zinc/75/61/57/510756157.db2.gz RCCUXMXARIMOCV-MRXNPFEDSA-N 2 2 357.845 2.820 10 30 FFEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000178754060 510756168 /nfs/dbraw/zinc/75/61/68/510756168.db2.gz RCCUXMXARIMOCV-MRXNPFEDSA-N 2 2 357.845 2.820 10 30 FFEELP Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CC[C@H](C)[C@@H](n3cc[nH+]c3)C1)CCC2 ZINC000328692343 511916266 /nfs/dbraw/zinc/91/62/66/511916266.db2.gz FHACNFAEOOXJCL-XIRDDKMYSA-N 2 2 356.474 2.763 10 30 FFEELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000329093032 511982137 /nfs/dbraw/zinc/98/21/37/511982137.db2.gz KCMKGAMLWCESOX-GDBMZVCRSA-N 2 2 363.531 2.843 10 30 FFEELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000329093032 511982142 /nfs/dbraw/zinc/98/21/42/511982142.db2.gz KCMKGAMLWCESOX-GDBMZVCRSA-N 2 2 363.531 2.843 10 30 FFEELP Cc1cccc(NC(=[NH2+])NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000104170610 965987571 /nfs/dbraw/zinc/98/75/71/965987571.db2.gz WAICTGUWHZZTTD-GOSISDBHSA-N 2 2 351.498 2.932 10 30 FFEELP C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180655303 510037919 /nfs/dbraw/zinc/03/79/19/510037919.db2.gz IKHJWPZMVANGFI-JXFKEZNVSA-N 2 2 362.433 2.834 10 30 FFEELP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH+]4CCC[C@@H]4C3)n2)C1 ZINC000329349576 512032136 /nfs/dbraw/zinc/03/21/36/512032136.db2.gz DWACTEWJGKIKIG-GOEBONIOSA-N 2 2 363.531 2.701 10 30 FFEELP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH+]4CCC[C@@H]4C3)n2)C1 ZINC000329349576 512032143 /nfs/dbraw/zinc/03/21/43/512032143.db2.gz DWACTEWJGKIKIG-GOEBONIOSA-N 2 2 363.531 2.701 10 30 FFEELP C[C@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)n2)C1 ZINC000329349576 512032150 /nfs/dbraw/zinc/03/21/50/512032150.db2.gz DWACTEWJGKIKIG-GOEBONIOSA-N 2 2 363.531 2.701 10 30 FFEELP C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367413697 512487536 /nfs/dbraw/zinc/48/75/36/512487536.db2.gz VLOBMLAPYVTPLV-NRFANRHFSA-N 2 2 350.466 2.583 10 30 FFEELP C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367413697 512487540 /nfs/dbraw/zinc/48/75/40/512487540.db2.gz VLOBMLAPYVTPLV-NRFANRHFSA-N 2 2 350.466 2.583 10 30 FFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000252352956 251308483 /nfs/dbraw/zinc/30/84/83/251308483.db2.gz OHUKFJJORVISQE-NVXWUHKLSA-N 2 2 351.454 2.981 10 30 FFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000252352956 251308488 /nfs/dbraw/zinc/30/84/88/251308488.db2.gz OHUKFJJORVISQE-NVXWUHKLSA-N 2 2 351.454 2.981 10 30 FFEELP CCc1nc2n(n1)CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181881263 510640164 /nfs/dbraw/zinc/64/01/64/510640164.db2.gz UTQYLGRBXTYWSW-LJQANCHMSA-N 2 2 364.497 2.801 10 30 FFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C1)CCC2 ZINC000328662375 511910670 /nfs/dbraw/zinc/91/06/70/511910670.db2.gz XHEKJHVFRMTEHQ-YQVWRLOYSA-N 2 2 371.529 2.932 10 30 FFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C1)CCC2 ZINC000328662375 511910675 /nfs/dbraw/zinc/91/06/75/511910675.db2.gz XHEKJHVFRMTEHQ-YQVWRLOYSA-N 2 2 371.529 2.932 10 30 FFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@H]([NH+]3CCCC3)CC1)CCC2 ZINC000328657924 511911275 /nfs/dbraw/zinc/91/12/75/511911275.db2.gz QAPYOVPPGAZRQV-ROUUACIJSA-N 2 2 359.518 2.933 10 30 FFEELP N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC([NH+]3CCCC3)CC1)CCC2 ZINC000104079387 250168417 /nfs/dbraw/zinc/16/84/17/250168417.db2.gz XETJCOKYRCQCBL-UHFFFAOYSA-N 2 2 372.538 2.997 10 30 FFEELP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1C#N ZINC000190488313 510160832 /nfs/dbraw/zinc/16/08/32/510160832.db2.gz NBYWCOIJNLXRDZ-LJQANCHMSA-N 2 2 350.466 2.916 10 30 FFEELP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1C#N ZINC000190488313 510160838 /nfs/dbraw/zinc/16/08/38/510160838.db2.gz NBYWCOIJNLXRDZ-LJQANCHMSA-N 2 2 350.466 2.916 10 30 FFEELP COc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1C#N ZINC000190488313 510160841 /nfs/dbraw/zinc/16/08/41/510160841.db2.gz NBYWCOIJNLXRDZ-LJQANCHMSA-N 2 2 350.466 2.916 10 30 FFEELP COc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1C#N ZINC000190488313 510160846 /nfs/dbraw/zinc/16/08/46/510160846.db2.gz NBYWCOIJNLXRDZ-LJQANCHMSA-N 2 2 350.466 2.916 10 30 FFEELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)Nc3sccc3C#N)C2)[nH+]1 ZINC000171652801 510282618 /nfs/dbraw/zinc/28/26/18/510282618.db2.gz OJGCAHLSWLTHTN-AWEZNQCLSA-N 2 2 355.467 2.696 10 30 FFEELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)Nc3sccc3C#N)C2)[nH+]1 ZINC000171652801 510282619 /nfs/dbraw/zinc/28/26/19/510282619.db2.gz OJGCAHLSWLTHTN-AWEZNQCLSA-N 2 2 355.467 2.696 10 30 FFEELP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nnc2n1CCCC2 ZINC000181834916 510617227 /nfs/dbraw/zinc/61/72/27/510617227.db2.gz WXQUHSYDGUUQII-MRXNPFEDSA-N 2 2 364.497 2.801 10 30 FFEELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOc2cccc(C#N)c2)C1 ZINC000195290133 510764398 /nfs/dbraw/zinc/76/43/98/510764398.db2.gz LEDHWUXMRMJTDT-HXUWFJFHSA-N 2 2 350.466 2.786 10 30 FFEELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOc2cccc(C#N)c2)C1 ZINC000195290133 510764403 /nfs/dbraw/zinc/76/44/03/510764403.db2.gz LEDHWUXMRMJTDT-HXUWFJFHSA-N 2 2 350.466 2.786 10 30 FFEELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000195290133 510764408 /nfs/dbraw/zinc/76/44/08/510764408.db2.gz LEDHWUXMRMJTDT-HXUWFJFHSA-N 2 2 350.466 2.786 10 30 FFEELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000195290133 510764411 /nfs/dbraw/zinc/76/44/11/510764411.db2.gz LEDHWUXMRMJTDT-HXUWFJFHSA-N 2 2 350.466 2.786 10 30 FFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000247779094 510870322 /nfs/dbraw/zinc/87/03/22/510870322.db2.gz RLEKSXGVSYBLQP-CRAIPNDOSA-N 2 2 351.454 2.981 10 30 FFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000247779094 510870323 /nfs/dbraw/zinc/87/03/23/510870323.db2.gz RLEKSXGVSYBLQP-CRAIPNDOSA-N 2 2 351.454 2.981 10 30 FFEELP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[NH+](C3CCC3)CC1)C2 ZINC000329383640 512037139 /nfs/dbraw/zinc/03/71/39/512037139.db2.gz OYLUWHMAAPNPGU-HNNXBMFYSA-N 2 2 359.518 2.580 10 30 FFEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000106217621 250258517 /nfs/dbraw/zinc/25/85/17/250258517.db2.gz WYDTWNLYTLTJAF-SFHVURJKSA-N 2 2 351.454 2.983 10 30 FFEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000106217621 250258520 /nfs/dbraw/zinc/25/85/20/250258520.db2.gz WYDTWNLYTLTJAF-SFHVURJKSA-N 2 2 351.454 2.983 10 30 FFEELP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(C#N)c1C ZINC000154571880 508811966 /nfs/dbraw/zinc/81/19/66/508811966.db2.gz APRFNNASZCTCNJ-XJKSGUPXSA-N 2 2 355.442 2.765 10 30 FFEELP Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(C#N)c1C ZINC000154571880 508811968 /nfs/dbraw/zinc/81/19/68/508811968.db2.gz APRFNNASZCTCNJ-XJKSGUPXSA-N 2 2 355.442 2.765 10 30 FFEELP COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195287538 510761432 /nfs/dbraw/zinc/76/14/32/510761432.db2.gz FLRKCZFEWYTDEY-IBGZPJMESA-N 2 2 350.466 2.916 10 30 FFEELP COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195287538 510761438 /nfs/dbraw/zinc/76/14/38/510761438.db2.gz FLRKCZFEWYTDEY-IBGZPJMESA-N 2 2 350.466 2.916 10 30 FFEELP COc1ccc(C#N)cc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195287538 510761442 /nfs/dbraw/zinc/76/14/42/510761442.db2.gz FLRKCZFEWYTDEY-IBGZPJMESA-N 2 2 350.466 2.916 10 30 FFEELP COc1ccc(C#N)cc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195287538 510761449 /nfs/dbraw/zinc/76/14/49/510761449.db2.gz FLRKCZFEWYTDEY-IBGZPJMESA-N 2 2 350.466 2.916 10 30 FFEELP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@@H]([NH+](C)C)C3)n2)C1 ZINC000328905288 511949080 /nfs/dbraw/zinc/94/90/80/511949080.db2.gz AQUWDNSKRUJWNW-DZGCQCFKSA-N 2 2 351.520 2.556 10 30 FFEELP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@@H]([NH+](C)C)C3)n2)C1 ZINC000328905288 511949081 /nfs/dbraw/zinc/94/90/81/511949081.db2.gz AQUWDNSKRUJWNW-DZGCQCFKSA-N 2 2 351.520 2.556 10 30 FFEELP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329227811 512008350 /nfs/dbraw/zinc/00/83/50/512008350.db2.gz AFDQXVIATZAHLP-MRXNPFEDSA-N 2 2 361.534 2.872 10 30 FFEELP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106166337 250246063 /nfs/dbraw/zinc/24/60/63/250246063.db2.gz MUOMSHZUFPGBRN-HNNXBMFYSA-N 2 2 351.454 2.573 10 30 FFEELP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000124370436 508822579 /nfs/dbraw/zinc/82/25/79/508822579.db2.gz SBXFZHQMQZMNFS-UIFIKXQLSA-N 2 2 365.477 2.702 10 30 FFEELP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000124370436 508822581 /nfs/dbraw/zinc/82/25/81/508822581.db2.gz SBXFZHQMQZMNFS-UIFIKXQLSA-N 2 2 365.477 2.702 10 30 FFEELP Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C#N)c1C ZINC000171643777 510272904 /nfs/dbraw/zinc/27/29/04/510272904.db2.gz QVOHPUQWLQQYDG-HNNXBMFYSA-N 2 2 353.426 2.536 10 30 FFEELP Cc1oc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C#N)c1C ZINC000171643777 510272907 /nfs/dbraw/zinc/27/29/07/510272907.db2.gz QVOHPUQWLQQYDG-HNNXBMFYSA-N 2 2 353.426 2.536 10 30 FFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)CCC2 ZINC000328660310 511911011 /nfs/dbraw/zinc/91/10/11/511911011.db2.gz VEMRRHOUIMPWGL-ROUUACIJSA-N 2 2 359.518 2.933 10 30 FFEELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329322001 512026481 /nfs/dbraw/zinc/02/64/81/512026481.db2.gz FIFPIKVSOFRMCL-BZUAXINKSA-N 2 2 359.518 2.578 10 30 FFEELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329322001 512026486 /nfs/dbraw/zinc/02/64/86/512026486.db2.gz FIFPIKVSOFRMCL-BZUAXINKSA-N 2 2 359.518 2.578 10 30 FFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000177058479 509846066 /nfs/dbraw/zinc/84/60/66/509846066.db2.gz AFFYUUACCUYSIL-MJGOQNOKSA-N 2 2 352.438 2.868 10 30 FFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000177058479 509846072 /nfs/dbraw/zinc/84/60/72/509846072.db2.gz AFFYUUACCUYSIL-MJGOQNOKSA-N 2 2 352.438 2.868 10 30 FFEELP Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c(C#N)c1C ZINC000171650679 510279624 /nfs/dbraw/zinc/27/96/24/510279624.db2.gz VDIGTDLOIMNNHY-INIZCTEOSA-N 2 2 367.453 2.844 10 30 FFEELP Cc1oc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c(C#N)c1C ZINC000171650679 510279629 /nfs/dbraw/zinc/27/96/29/510279629.db2.gz VDIGTDLOIMNNHY-INIZCTEOSA-N 2 2 367.453 2.844 10 30 FFEELP N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1=O ZINC000246616752 510586240 /nfs/dbraw/zinc/58/62/40/510586240.db2.gz YOSCGDKKWJESJF-HOCLYGCPSA-N 2 2 367.478 2.554 10 30 FFEELP N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1=O ZINC000246616752 510586247 /nfs/dbraw/zinc/58/62/47/510586247.db2.gz YOSCGDKKWJESJF-HOCLYGCPSA-N 2 2 367.478 2.554 10 30 FFEELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)nc[nH+]1 ZINC000181934538 510668034 /nfs/dbraw/zinc/66/80/34/510668034.db2.gz BCSJWBDFBKXPNK-RDJZCZTQSA-N 2 2 366.469 2.740 10 30 FFEELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCOc2ccccc2C#N)C1 ZINC000195280895 510758063 /nfs/dbraw/zinc/75/80/63/510758063.db2.gz OVRVTHVLTNXEQN-IBGZPJMESA-N 2 2 350.466 2.786 10 30 FFEELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCOc2ccccc2C#N)C1 ZINC000195280895 510758069 /nfs/dbraw/zinc/75/80/69/510758069.db2.gz OVRVTHVLTNXEQN-IBGZPJMESA-N 2 2 350.466 2.786 10 30 FFEELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000195280895 510758075 /nfs/dbraw/zinc/75/80/75/510758075.db2.gz OVRVTHVLTNXEQN-IBGZPJMESA-N 2 2 350.466 2.786 10 30 FFEELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000195280895 510758081 /nfs/dbraw/zinc/75/80/81/510758081.db2.gz OVRVTHVLTNXEQN-IBGZPJMESA-N 2 2 350.466 2.786 10 30 FFEELP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329227810 512009174 /nfs/dbraw/zinc/00/91/74/512009174.db2.gz AFDQXVIATZAHLP-INIZCTEOSA-N 2 2 361.534 2.872 10 30 FFEELP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1C#N ZINC000190488291 510161306 /nfs/dbraw/zinc/16/13/06/510161306.db2.gz NBYWCOIJNLXRDZ-IBGZPJMESA-N 2 2 350.466 2.916 10 30 FFEELP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1C#N ZINC000190488291 510161313 /nfs/dbraw/zinc/16/13/13/510161313.db2.gz NBYWCOIJNLXRDZ-IBGZPJMESA-N 2 2 350.466 2.916 10 30 FFEELP COc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1C#N ZINC000190488291 510161318 /nfs/dbraw/zinc/16/13/18/510161318.db2.gz NBYWCOIJNLXRDZ-IBGZPJMESA-N 2 2 350.466 2.916 10 30 FFEELP COc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1C#N ZINC000190488291 510161325 /nfs/dbraw/zinc/16/13/25/510161325.db2.gz NBYWCOIJNLXRDZ-IBGZPJMESA-N 2 2 350.466 2.916 10 30 FFEELP Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(C#N)c1C ZINC000245899641 510195884 /nfs/dbraw/zinc/19/58/84/510195884.db2.gz APRFNNASZCTCNJ-CJNGLKHVSA-N 2 2 355.442 2.765 10 30 FFEELP Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(C#N)c1C ZINC000245899641 510195889 /nfs/dbraw/zinc/19/58/89/510195889.db2.gz APRFNNASZCTCNJ-CJNGLKHVSA-N 2 2 355.442 2.765 10 30 FFEELP N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1Cl ZINC000171646696 510274612 /nfs/dbraw/zinc/27/46/12/510274612.db2.gz RIMVPYKGQWDZBW-AWEZNQCLSA-N 2 2 369.856 2.979 10 30 FFEELP N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1Cl ZINC000171646696 510274618 /nfs/dbraw/zinc/27/46/18/510274618.db2.gz RIMVPYKGQWDZBW-AWEZNQCLSA-N 2 2 369.856 2.979 10 30 FFEELP CN(C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C1(C#N)CCCCC1 ZINC000171645789 510276272 /nfs/dbraw/zinc/27/62/72/510276272.db2.gz YQIZSBWYBLVUPI-KRWDZBQOSA-N 2 2 355.486 2.500 10 30 FFEELP CN(C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C1(C#N)CCCCC1 ZINC000171645789 510276275 /nfs/dbraw/zinc/27/62/75/510276275.db2.gz YQIZSBWYBLVUPI-KRWDZBQOSA-N 2 2 355.486 2.500 10 30 FFEELP C[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[N@@H+]1C ZINC000329676392 967934282 /nfs/dbraw/zinc/93/42/82/967934282.db2.gz UTZOPQCUSRZPOY-OWCLPIDISA-N 2 2 361.534 2.824 10 30 FFEELP C[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[N@H+]1C ZINC000329676392 967934290 /nfs/dbraw/zinc/93/42/90/967934290.db2.gz UTZOPQCUSRZPOY-OWCLPIDISA-N 2 2 361.534 2.824 10 30 FFEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000106217276 250259365 /nfs/dbraw/zinc/25/93/65/250259365.db2.gz RLEKSXGVSYBLQP-YJBOKZPZSA-N 2 2 351.454 2.981 10 30 FFEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000106217276 250259367 /nfs/dbraw/zinc/25/93/67/250259367.db2.gz RLEKSXGVSYBLQP-YJBOKZPZSA-N 2 2 351.454 2.981 10 30 FFEELP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000124370151 508822023 /nfs/dbraw/zinc/82/20/23/508822023.db2.gz SBXFZHQMQZMNFS-QMMLZNLJSA-N 2 2 365.477 2.702 10 30 FFEELP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000124370151 508822026 /nfs/dbraw/zinc/82/20/26/508822026.db2.gz SBXFZHQMQZMNFS-QMMLZNLJSA-N 2 2 365.477 2.702 10 30 FFEELP N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)o2)cc1 ZINC000173778949 509770943 /nfs/dbraw/zinc/77/09/43/509770943.db2.gz MZJRXEHQXMPWLX-INIZCTEOSA-N 2 2 360.421 2.937 10 30 FFEELP N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)o2)cc1 ZINC000173778949 509770951 /nfs/dbraw/zinc/77/09/51/509770951.db2.gz MZJRXEHQXMPWLX-INIZCTEOSA-N 2 2 360.421 2.937 10 30 FFEELP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C#N)c1C ZINC000246098019 510291874 /nfs/dbraw/zinc/29/18/74/510291874.db2.gz HPVWWDGOOZNDOS-HOCLYGCPSA-N 2 2 367.453 2.924 10 30 FFEELP Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C#N)c1C ZINC000246098019 510291881 /nfs/dbraw/zinc/29/18/81/510291881.db2.gz HPVWWDGOOZNDOS-HOCLYGCPSA-N 2 2 367.453 2.924 10 30 FFEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000178746915 510751286 /nfs/dbraw/zinc/75/12/86/510751286.db2.gz OMXUTWFRKTYXSP-INIZCTEOSA-N 2 2 357.845 2.820 10 30 FFEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000178746915 510751290 /nfs/dbraw/zinc/75/12/90/510751290.db2.gz OMXUTWFRKTYXSP-INIZCTEOSA-N 2 2 357.845 2.820 10 30 FFEELP C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180675828 510049336 /nfs/dbraw/zinc/04/93/36/510049336.db2.gz QHEMARUGKUQAPV-INIZCTEOSA-N 2 2 351.454 2.866 10 30 FFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)CCC2 ZINC000328660311 511910903 /nfs/dbraw/zinc/91/09/03/511910903.db2.gz VEMRRHOUIMPWGL-ZWKOTPCHSA-N 2 2 359.518 2.933 10 30 FFEELP C=CCC[C@@H](C[N@@H+]1CCCOCC1)Oc1ccc(Cn2cc[nH+]c2)cn1 ZINC000072411679 210066133 /nfs/dbraw/zinc/06/61/33/210066133.db2.gz HOUVQCCNNVKJAP-IBGZPJMESA-N 2 2 356.470 2.762 10 30 FFEELP C=CCC[C@@H](C[N@H+]1CCCOCC1)Oc1ccc(Cn2cc[nH+]c2)cn1 ZINC000072411679 210066137 /nfs/dbraw/zinc/06/61/37/210066137.db2.gz HOUVQCCNNVKJAP-IBGZPJMESA-N 2 2 356.470 2.762 10 30 FFEELP Cc1oc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C#N)c1C ZINC000171643773 510271701 /nfs/dbraw/zinc/27/17/01/510271701.db2.gz QVOHPUQWLQQYDG-OAHLLOKOSA-N 2 2 353.426 2.536 10 30 FFEELP Cc1oc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C#N)c1C ZINC000171643773 510271707 /nfs/dbraw/zinc/27/17/07/510271707.db2.gz QVOHPUQWLQQYDG-OAHLLOKOSA-N 2 2 353.426 2.536 10 30 FFEELP Cc1oc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c(C#N)c1C ZINC000171650682 510281056 /nfs/dbraw/zinc/28/10/56/510281056.db2.gz VDIGTDLOIMNNHY-MRXNPFEDSA-N 2 2 367.453 2.844 10 30 FFEELP Cc1oc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c(C#N)c1C ZINC000171650682 510281059 /nfs/dbraw/zinc/28/10/59/510281059.db2.gz VDIGTDLOIMNNHY-MRXNPFEDSA-N 2 2 367.453 2.844 10 30 FFEELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)nc[nH+]1 ZINC000181934577 510667263 /nfs/dbraw/zinc/66/72/63/510667263.db2.gz BCSJWBDFBKXPNK-DOTOQJQBSA-N 2 2 366.469 2.740 10 30 FFEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000178748198 510751344 /nfs/dbraw/zinc/75/13/44/510751344.db2.gz KSRUSAYECPMIMO-INIZCTEOSA-N 2 2 369.494 2.910 10 30 FFEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000178748198 510751348 /nfs/dbraw/zinc/75/13/48/510751348.db2.gz KSRUSAYECPMIMO-INIZCTEOSA-N 2 2 369.494 2.910 10 30 FFEELP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCn2cc[nH+]c2C1 ZINC000329839199 512103092 /nfs/dbraw/zinc/10/30/92/512103092.db2.gz MUTIUQUQIXTAJJ-YQQQUEKLSA-N 2 2 365.481 2.808 10 30 FFEELP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCn2cc[nH+]c2C1 ZINC000329839199 512103096 /nfs/dbraw/zinc/10/30/96/512103096.db2.gz MUTIUQUQIXTAJJ-YQQQUEKLSA-N 2 2 365.481 2.808 10 30 FFEELP CC1CCC([NH+]2CCN(C(=O)NCc3cn4c([nH+]3)CCCC4)CC2)CC1 ZINC000329357400 967660733 /nfs/dbraw/zinc/66/07/33/967660733.db2.gz ZUHWEUXZMIBWLH-UHFFFAOYSA-N 2 2 359.518 2.830 10 30 FFEELP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(C#N)c1C ZINC000245899638 510195841 /nfs/dbraw/zinc/19/58/41/510195841.db2.gz APRFNNASZCTCNJ-BBRMVZONSA-N 2 2 355.442 2.765 10 30 FFEELP Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(C#N)c1C ZINC000245899638 510195844 /nfs/dbraw/zinc/19/58/44/510195844.db2.gz APRFNNASZCTCNJ-BBRMVZONSA-N 2 2 355.442 2.765 10 30 FFEELP Cc1noc(C)c1C[NH+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000329566576 512071908 /nfs/dbraw/zinc/07/19/08/512071908.db2.gz KURASXRTNGBBEM-STECZYCISA-N 2 2 366.481 2.891 10 30 FFEELP Cc1noc(C)c1C[NH+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000329566576 512071916 /nfs/dbraw/zinc/07/19/16/512071916.db2.gz KURASXRTNGBBEM-STECZYCISA-N 2 2 366.481 2.891 10 30 FFEELP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000329566576 512071922 /nfs/dbraw/zinc/07/19/22/512071922.db2.gz KURASXRTNGBBEM-STECZYCISA-N 2 2 366.481 2.891 10 30 FFEELP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000329566576 512071933 /nfs/dbraw/zinc/07/19/33/512071933.db2.gz KURASXRTNGBBEM-STECZYCISA-N 2 2 366.481 2.891 10 30 FFEELP Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2cc(C#N)ccc2F)CCC[NH+]1C ZINC000286851041 257058401 /nfs/dbraw/zinc/05/84/01/257058401.db2.gz VJBSTMLMDOPPLQ-OXJNMPFZSA-N 2 2 355.461 2.946 10 30 FFEELP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2cc(C#N)ccc2F)CCC[NH+]1C ZINC000286851041 257058402 /nfs/dbraw/zinc/05/84/02/257058402.db2.gz VJBSTMLMDOPPLQ-OXJNMPFZSA-N 2 2 355.461 2.946 10 30 FFEELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2cc(C#N)ccc2F)CCC[N@@H+]1C ZINC000286851041 257058403 /nfs/dbraw/zinc/05/84/03/257058403.db2.gz VJBSTMLMDOPPLQ-OXJNMPFZSA-N 2 2 355.461 2.946 10 30 FFEELP Cc1cc(N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C#N)c(C)[nH+]1 ZINC000302395460 258100733 /nfs/dbraw/zinc/10/07/33/258100733.db2.gz CVRSJWIYZXDZTP-OAQYLSRUSA-N 2 2 350.466 2.643 10 30 FFEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000177058493 509846523 /nfs/dbraw/zinc/84/65/23/509846523.db2.gz AFFYUUACCUYSIL-HKUYNNGSSA-N 2 2 352.438 2.868 10 30 FFEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000177058493 509846532 /nfs/dbraw/zinc/84/65/32/509846532.db2.gz AFFYUUACCUYSIL-HKUYNNGSSA-N 2 2 352.438 2.868 10 30 FFEELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329784957 968036143 /nfs/dbraw/zinc/03/61/43/968036143.db2.gz WOEBNTHTJLUMRN-BRWVUGGUSA-N 2 2 373.545 2.968 10 30 FFEELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329784957 968036157 /nfs/dbraw/zinc/03/61/57/968036157.db2.gz WOEBNTHTJLUMRN-BRWVUGGUSA-N 2 2 373.545 2.968 10 30 FFEELP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)N1CCCCC1 ZINC000181552456 510470372 /nfs/dbraw/zinc/47/03/72/510470372.db2.gz SELYMURFLFCCGD-KRWDZBQOSA-N 2 2 354.498 2.513 10 30 FFEELP CCc1nc2n(n1)CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181881243 510640137 /nfs/dbraw/zinc/64/01/37/510640137.db2.gz UTQYLGRBXTYWSW-IBGZPJMESA-N 2 2 364.497 2.801 10 30 FFEELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(OCC#N)cc2)nc[nH+]1 ZINC000181934597 510669615 /nfs/dbraw/zinc/66/96/15/510669615.db2.gz BCSJWBDFBKXPNK-NVXWUHKLSA-N 2 2 366.469 2.740 10 30 FFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1C[N@H+](Cc3ccccc3)CCO1)CCC2 ZINC000328662730 511913010 /nfs/dbraw/zinc/91/30/10/511913010.db2.gz XNLGVXREHSIMDG-RBUKOAKNSA-N 2 2 368.481 2.926 10 30 FFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1C[N@@H+](Cc3ccccc3)CCO1)CCC2 ZINC000328662730 511913014 /nfs/dbraw/zinc/91/30/14/511913014.db2.gz XNLGVXREHSIMDG-RBUKOAKNSA-N 2 2 368.481 2.926 10 30 FFEELP Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c(C#N)c1C ZINC000106164308 250247256 /nfs/dbraw/zinc/24/72/56/250247256.db2.gz XUUBENXYYDVXBS-CQSZACIVSA-N 2 2 369.469 2.783 10 30 FFEELP COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000246341524 510435631 /nfs/dbraw/zinc/43/56/31/510435631.db2.gz FJIFHPILWWPMHW-FXAWDEMLSA-N 2 2 364.449 2.910 10 30 FFEELP COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000246341524 510435637 /nfs/dbraw/zinc/43/56/37/510435637.db2.gz FJIFHPILWWPMHW-FXAWDEMLSA-N 2 2 364.449 2.910 10 30 FFEELP Cn1c[nH+]cc1[C@H]1[C@H](C[N@H+](C)Cc2ccc(F)c(C#N)c2)CCCN1C ZINC000585804545 518609813 /nfs/dbraw/zinc/60/98/13/518609813.db2.gz KDOYIPGXARGHSQ-OXJNMPFZSA-N 2 2 355.461 2.946 10 30 FFEELP Cn1c[nH+]cc1[C@H]1[C@H](C[N@@H+](C)Cc2ccc(F)c(C#N)c2)CCCN1C ZINC000585804545 518609823 /nfs/dbraw/zinc/60/98/23/518609823.db2.gz KDOYIPGXARGHSQ-OXJNMPFZSA-N 2 2 355.461 2.946 10 30 FFEELP Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c(C#N)c(C)[nH+]1 ZINC000328634220 223123193 /nfs/dbraw/zinc/12/31/93/223123193.db2.gz TULJZPOSAGYOQC-OXJNMPFZSA-N 2 2 352.486 2.823 10 30 FFEELP Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c(C#N)c(C)[nH+]1 ZINC000328634220 223123195 /nfs/dbraw/zinc/12/31/95/223123195.db2.gz TULJZPOSAGYOQC-OXJNMPFZSA-N 2 2 352.486 2.823 10 30 FFEELP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C#N)c1C ZINC000171643437 510273380 /nfs/dbraw/zinc/27/33/80/510273380.db2.gz HPVWWDGOOZNDOS-GOEBONIOSA-N 2 2 367.453 2.924 10 30 FFEELP Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C#N)c1C ZINC000171643437 510273388 /nfs/dbraw/zinc/27/33/88/510273388.db2.gz HPVWWDGOOZNDOS-GOEBONIOSA-N 2 2 367.453 2.924 10 30 FFEELP CC(C)C[NH+]1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329283716 967616338 /nfs/dbraw/zinc/61/63/38/967616338.db2.gz OCSAELCJDOZNDI-INIZCTEOSA-N 2 2 361.534 2.683 10 30 FFEELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCOc2ccc(C#N)cc2)C1 ZINC000195300440 510771965 /nfs/dbraw/zinc/77/19/65/510771965.db2.gz FTIIYTGAOQFUBQ-FQEVSTJZSA-N 2 2 350.466 2.786 10 30 FFEELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCOc2ccc(C#N)cc2)C1 ZINC000195300440 510771968 /nfs/dbraw/zinc/77/19/68/510771968.db2.gz FTIIYTGAOQFUBQ-FQEVSTJZSA-N 2 2 350.466 2.786 10 30 FFEELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000195300440 510771971 /nfs/dbraw/zinc/77/19/71/510771971.db2.gz FTIIYTGAOQFUBQ-FQEVSTJZSA-N 2 2 350.466 2.786 10 30 FFEELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000195300440 510771973 /nfs/dbraw/zinc/77/19/73/510771973.db2.gz FTIIYTGAOQFUBQ-FQEVSTJZSA-N 2 2 350.466 2.786 10 30 FFEELP CN(C[C@H]1CCC[N@H+](C)C1)C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329336900 512029587 /nfs/dbraw/zinc/02/95/87/512029587.db2.gz PLKVFXIPIIIRTL-JKSUJKDBSA-N 2 2 361.534 2.683 10 30 FFEELP C=C(C)C[NH+]1CCC(NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000176499637 509546558 /nfs/dbraw/zinc/54/65/58/509546558.db2.gz CXRGBTAZCUIOKN-UHFFFAOYSA-N 2 2 371.529 2.699 10 30 FFEELP C[C@H]([NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000245948166 510223082 /nfs/dbraw/zinc/22/30/82/510223082.db2.gz VYZNPZPMQAFWPC-IOMROCGXSA-N 2 2 365.477 2.875 10 30 FFEELP C[C@H]([NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000245948166 510223088 /nfs/dbraw/zinc/22/30/88/510223088.db2.gz VYZNPZPMQAFWPC-IOMROCGXSA-N 2 2 365.477 2.875 10 30 FFEELP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195290766 510764176 /nfs/dbraw/zinc/76/41/76/510764176.db2.gz XDYQLUAVGFYNPA-UYAOXDASSA-N 2 2 358.530 2.648 10 30 FFEELP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195290766 510764181 /nfs/dbraw/zinc/76/41/81/510764181.db2.gz XDYQLUAVGFYNPA-UYAOXDASSA-N 2 2 358.530 2.648 10 30 FFEELP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195290766 510764182 /nfs/dbraw/zinc/76/41/82/510764182.db2.gz XDYQLUAVGFYNPA-UYAOXDASSA-N 2 2 358.530 2.648 10 30 FFEELP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195290766 510764188 /nfs/dbraw/zinc/76/41/88/510764188.db2.gz XDYQLUAVGFYNPA-UYAOXDASSA-N 2 2 358.530 2.648 10 30 FFEELP COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000177034674 509829621 /nfs/dbraw/zinc/82/96/21/509829621.db2.gz FJIFHPILWWPMHW-PXNSSMCTSA-N 2 2 364.449 2.910 10 30 FFEELP COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000177034674 509829624 /nfs/dbraw/zinc/82/96/24/509829624.db2.gz FJIFHPILWWPMHW-PXNSSMCTSA-N 2 2 364.449 2.910 10 30 FFEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246279147 510403035 /nfs/dbraw/zinc/40/30/35/510403035.db2.gz AFFYUUACCUYSIL-PKOBYXMFSA-N 2 2 352.438 2.868 10 30 FFEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246279147 510403042 /nfs/dbraw/zinc/40/30/42/510403042.db2.gz AFFYUUACCUYSIL-PKOBYXMFSA-N 2 2 352.438 2.868 10 30 FFEELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000246750474 510654225 /nfs/dbraw/zinc/65/42/25/510654225.db2.gz LTPZJJDYARHLOR-OXJNMPFZSA-N 2 2 360.465 2.601 10 30 FFEELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000246750474 510654235 /nfs/dbraw/zinc/65/42/35/510654235.db2.gz LTPZJJDYARHLOR-OXJNMPFZSA-N 2 2 360.465 2.601 10 30 FFEELP COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195279141 510755334 /nfs/dbraw/zinc/75/53/34/510755334.db2.gz ZAODRISKPWGYJC-IBGZPJMESA-N 2 2 350.466 2.916 10 30 FFEELP COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195279141 510755344 /nfs/dbraw/zinc/75/53/44/510755344.db2.gz ZAODRISKPWGYJC-IBGZPJMESA-N 2 2 350.466 2.916 10 30 FFEELP COc1cc(C#N)ccc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195279141 510755349 /nfs/dbraw/zinc/75/53/49/510755349.db2.gz ZAODRISKPWGYJC-IBGZPJMESA-N 2 2 350.466 2.916 10 30 FFEELP COc1cc(C#N)ccc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195279141 510755355 /nfs/dbraw/zinc/75/53/55/510755355.db2.gz ZAODRISKPWGYJC-IBGZPJMESA-N 2 2 350.466 2.916 10 30 FFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)CCC2 ZINC000328698236 511916389 /nfs/dbraw/zinc/91/63/89/511916389.db2.gz HLTNIMSTAWRNMV-RBUKOAKNSA-N 2 2 367.497 2.972 10 30 FFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)CCC2 ZINC000328698236 511916395 /nfs/dbraw/zinc/91/63/95/511916395.db2.gz HLTNIMSTAWRNMV-RBUKOAKNSA-N 2 2 367.497 2.972 10 30 FFEELP CN(CC1CC[NH+](C)CC1)C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329188834 512000862 /nfs/dbraw/zinc/00/08/62/512000862.db2.gz BSRZOGNKHZYVPR-INIZCTEOSA-N 2 2 361.534 2.683 10 30 FFEELP Cn1cc[nH+]c1CC1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000173691906 509724415 /nfs/dbraw/zinc/72/44/15/509724415.db2.gz JCIZFQJPRCFSGS-UHFFFAOYSA-N 2 2 362.437 2.796 10 30 FFEELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329799331 512098866 /nfs/dbraw/zinc/09/88/66/512098866.db2.gz IDOWQPAUVYZYEG-OAGGEKHMSA-N 2 2 361.534 2.728 10 30 FFEELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329799331 512098869 /nfs/dbraw/zinc/09/88/69/512098869.db2.gz IDOWQPAUVYZYEG-OAGGEKHMSA-N 2 2 361.534 2.728 10 30 FFEELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000106164726 250245895 /nfs/dbraw/zinc/24/58/95/250245895.db2.gz IKLVWTVSHIQUMC-UHFFFAOYSA-N 2 2 371.872 2.838 10 30 FFEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000106217339 508398127 /nfs/dbraw/zinc/39/81/27/508398127.db2.gz DCNYBVFEDHPRCA-KRWDZBQOSA-N 2 2 357.502 2.767 10 30 FFEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000106217339 508398128 /nfs/dbraw/zinc/39/81/28/508398128.db2.gz DCNYBVFEDHPRCA-KRWDZBQOSA-N 2 2 357.502 2.767 10 30 FFEELP C[N@H+](CCOc1ccc(C#N)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328626813 529924694 /nfs/dbraw/zinc/92/46/94/529924694.db2.gz FKVZEVODSOGKQN-FPOVZHCZSA-N 2 2 350.466 2.957 10 30 FFEELP C[N@@H+](CCOc1ccc(C#N)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328626813 529924695 /nfs/dbraw/zinc/92/46/95/529924695.db2.gz FKVZEVODSOGKQN-FPOVZHCZSA-N 2 2 350.466 2.957 10 30 FFEELP C[NH+](CCOc1ccc(C#N)cc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328626813 529924696 /nfs/dbraw/zinc/92/46/96/529924696.db2.gz FKVZEVODSOGKQN-FPOVZHCZSA-N 2 2 350.466 2.957 10 30 FFEELP C[NH+](CCOc1ccc(C#N)cc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328626813 529924698 /nfs/dbraw/zinc/92/46/98/529924698.db2.gz FKVZEVODSOGKQN-FPOVZHCZSA-N 2 2 350.466 2.957 10 30 FFEELP C[C@H](NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000329268953 512017234 /nfs/dbraw/zinc/01/72/34/512017234.db2.gz GUUFLUZOYLDIGN-BXWFABGCSA-N 2 2 353.470 2.873 10 30 FFEELP C[C@H](NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000329268953 512017238 /nfs/dbraw/zinc/01/72/38/512017238.db2.gz GUUFLUZOYLDIGN-BXWFABGCSA-N 2 2 353.470 2.873 10 30 FFEELP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CCC(n3cc[nH+]c3)CC1)C2 ZINC000329277763 512019011 /nfs/dbraw/zinc/01/90/11/512019011.db2.gz LUDSFZUYYLDUKQ-OAHLLOKOSA-N 2 2 370.501 2.943 10 30 FFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000106214529 250254960 /nfs/dbraw/zinc/25/49/60/250254960.db2.gz GXPYVRSATKGIRD-OAHLLOKOSA-N 2 2 355.442 2.803 10 30 FFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000106214529 250254964 /nfs/dbraw/zinc/25/49/64/250254964.db2.gz GXPYVRSATKGIRD-OAHLLOKOSA-N 2 2 355.442 2.803 10 30 FFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000106214876 250255767 /nfs/dbraw/zinc/25/57/67/250255767.db2.gz OHUKFJJORVISQE-DOTOQJQBSA-N 2 2 351.454 2.981 10 30 FFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000106214876 250255770 /nfs/dbraw/zinc/25/57/70/250255770.db2.gz OHUKFJJORVISQE-DOTOQJQBSA-N 2 2 351.454 2.981 10 30 FFEELP C=CCOc1ccccc1C[N@@H+]1CC[C@@H]([NH+](C)C)[C@@H](CCC(=O)OC)C1 ZINC000011788404 506794546 /nfs/dbraw/zinc/79/45/46/506794546.db2.gz IRXKQOOYYJIOEX-PKOBYXMFSA-N 2 2 360.498 2.957 10 30 FFEELP C=CCOc1ccccc1C[N@H+]1CC[C@@H]([NH+](C)C)[C@@H](CCC(=O)OC)C1 ZINC000011788404 506794553 /nfs/dbraw/zinc/79/45/53/506794553.db2.gz IRXKQOOYYJIOEX-PKOBYXMFSA-N 2 2 360.498 2.957 10 30 FFEELP N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1=O ZINC000177034553 509829542 /nfs/dbraw/zinc/82/95/42/509829542.db2.gz YOSCGDKKWJESJF-GOEBONIOSA-N 2 2 367.478 2.554 10 30 FFEELP N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1=O ZINC000177034553 509829547 /nfs/dbraw/zinc/82/95/47/509829547.db2.gz YOSCGDKKWJESJF-GOEBONIOSA-N 2 2 367.478 2.554 10 30 FFEELP C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180655343 510037587 /nfs/dbraw/zinc/03/75/87/510037587.db2.gz IKHJWPZMVANGFI-OXJNMPFZSA-N 2 2 362.433 2.834 10 30 FFEELP CN(C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C1(C#N)CCCCC1 ZINC000171645785 510276234 /nfs/dbraw/zinc/27/62/34/510276234.db2.gz YQIZSBWYBLVUPI-QGZVFWFLSA-N 2 2 355.486 2.500 10 30 FFEELP CN(C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C1(C#N)CCCCC1 ZINC000171645785 510276238 /nfs/dbraw/zinc/27/62/38/510276238.db2.gz YQIZSBWYBLVUPI-QGZVFWFLSA-N 2 2 355.486 2.500 10 30 FFEELP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H]1c1ccccc1 ZINC000329080754 511978726 /nfs/dbraw/zinc/97/87/26/511978726.db2.gz RIPCJAXZBNTRHH-IHPCNDPISA-N 2 2 368.481 2.864 10 30 FFEELP CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H]1c1ccccc1 ZINC000329080754 511978733 /nfs/dbraw/zinc/97/87/33/511978733.db2.gz RIPCJAXZBNTRHH-IHPCNDPISA-N 2 2 368.481 2.864 10 30 FFEELP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC[C@H]1C[NH+]1CCCC1)C2 ZINC000329233339 967568140 /nfs/dbraw/zinc/56/81/40/967568140.db2.gz LWZXYWNPTOREBI-IRXDYDNUSA-N 2 2 373.545 2.970 10 30 FFEELP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106166341 250246294 /nfs/dbraw/zinc/24/62/94/250246294.db2.gz MUOMSHZUFPGBRN-OAHLLOKOSA-N 2 2 351.454 2.573 10 30 FFEELP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3c(cc2OCCOC)OCO3)CC1 ZINC000106244917 508398523 /nfs/dbraw/zinc/39/85/23/508398523.db2.gz SDSSBRDBERFKNB-UHFFFAOYSA-N 2 2 362.470 2.571 10 30 FFEELP C[N@H+](CCCOc1cccc(C#N)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000156186056 509141079 /nfs/dbraw/zinc/14/10/79/509141079.db2.gz IYQRIRABKOYSDM-UHFFFAOYSA-N 2 2 367.497 2.620 10 30 FFEELP C[N@@H+](CCCOc1cccc(C#N)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000156186056 509141082 /nfs/dbraw/zinc/14/10/82/509141082.db2.gz IYQRIRABKOYSDM-UHFFFAOYSA-N 2 2 367.497 2.620 10 30 FFEELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000190482093 510155749 /nfs/dbraw/zinc/15/57/49/510155749.db2.gz PFPRBHMQHJUBQR-IBGZPJMESA-N 2 2 360.465 2.555 10 30 FFEELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000190482093 510155761 /nfs/dbraw/zinc/15/57/61/510155761.db2.gz PFPRBHMQHJUBQR-IBGZPJMESA-N 2 2 360.465 2.555 10 30 FFEELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000190482093 510155764 /nfs/dbraw/zinc/15/57/64/510155764.db2.gz PFPRBHMQHJUBQR-IBGZPJMESA-N 2 2 360.465 2.555 10 30 FFEELP Cc1nc2n(n1)CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182006944 510705390 /nfs/dbraw/zinc/70/53/90/510705390.db2.gz ZJFYJCJXPHXLHL-IBGZPJMESA-N 2 2 350.470 2.547 10 30 FFEELP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195254213 510739039 /nfs/dbraw/zinc/73/90/39/510739039.db2.gz FJCYFYKWCUQILF-QGZVFWFLSA-N 2 2 364.559 2.630 10 30 FFEELP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195254213 510739043 /nfs/dbraw/zinc/73/90/43/510739043.db2.gz FJCYFYKWCUQILF-QGZVFWFLSA-N 2 2 364.559 2.630 10 30 FFEELP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195254213 510739048 /nfs/dbraw/zinc/73/90/48/510739048.db2.gz FJCYFYKWCUQILF-QGZVFWFLSA-N 2 2 364.559 2.630 10 30 FFEELP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195254213 510739056 /nfs/dbraw/zinc/73/90/56/510739056.db2.gz FJCYFYKWCUQILF-QGZVFWFLSA-N 2 2 364.559 2.630 10 30 FFEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000252352957 251309822 /nfs/dbraw/zinc/30/98/22/251309822.db2.gz OHUKFJJORVISQE-WBVHZDCISA-N 2 2 351.454 2.981 10 30 FFEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000252352957 251309826 /nfs/dbraw/zinc/30/98/26/251309826.db2.gz OHUKFJJORVISQE-WBVHZDCISA-N 2 2 351.454 2.981 10 30 FFEELP N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)o2)cc1 ZINC000173778961 509771471 /nfs/dbraw/zinc/77/14/71/509771471.db2.gz MZJRXEHQXMPWLX-MRXNPFEDSA-N 2 2 360.421 2.937 10 30 FFEELP N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)o2)cc1 ZINC000173778961 509771477 /nfs/dbraw/zinc/77/14/77/509771477.db2.gz MZJRXEHQXMPWLX-MRXNPFEDSA-N 2 2 360.421 2.937 10 30 FFEELP C[N@H+](CCOc1cccc(C#N)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328654155 511909647 /nfs/dbraw/zinc/90/96/47/511909647.db2.gz XGSOVUDWAJIKDC-FPOVZHCZSA-N 2 2 350.466 2.957 10 30 FFEELP C[N@@H+](CCOc1cccc(C#N)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328654155 511909650 /nfs/dbraw/zinc/90/96/50/511909650.db2.gz XGSOVUDWAJIKDC-FPOVZHCZSA-N 2 2 350.466 2.957 10 30 FFEELP C[NH+](CCOc1cccc(C#N)c1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328654155 511909654 /nfs/dbraw/zinc/90/96/54/511909654.db2.gz XGSOVUDWAJIKDC-FPOVZHCZSA-N 2 2 350.466 2.957 10 30 FFEELP C[NH+](CCOc1cccc(C#N)c1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328654155 511909660 /nfs/dbraw/zinc/90/96/60/511909660.db2.gz XGSOVUDWAJIKDC-FPOVZHCZSA-N 2 2 350.466 2.957 10 30 FFEELP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH+]4CCC[C@@H]4C3)n2)C1 ZINC000329349574 512031668 /nfs/dbraw/zinc/03/16/68/512031668.db2.gz DWACTEWJGKIKIG-GDBMZVCRSA-N 2 2 363.531 2.701 10 30 FFEELP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH+]4CCC[C@@H]4C3)n2)C1 ZINC000329349574 512031672 /nfs/dbraw/zinc/03/16/72/512031672.db2.gz DWACTEWJGKIKIG-GDBMZVCRSA-N 2 2 363.531 2.701 10 30 FFEELP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)n2)C1 ZINC000329349574 512031676 /nfs/dbraw/zinc/03/16/76/512031676.db2.gz DWACTEWJGKIKIG-GDBMZVCRSA-N 2 2 363.531 2.701 10 30 FFEELP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[C@H]([NH+]3CCCCC3)C1)C2 ZINC000329257530 967587664 /nfs/dbraw/zinc/58/76/64/967587664.db2.gz DYMOHAIPTXMVFJ-IRXDYDNUSA-N 2 2 373.545 2.970 10 30 FFEELP C=C(C)C[NH+]1CCC(NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000106262613 508398762 /nfs/dbraw/zinc/39/87/62/508398762.db2.gz UXSASPIBAGCKCW-UHFFFAOYSA-N 2 2 361.877 2.827 10 30 FFEELP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC(n3cc[nH+]c3)CC1)C2 ZINC000329277761 512018781 /nfs/dbraw/zinc/01/87/81/512018781.db2.gz LUDSFZUYYLDUKQ-HNNXBMFYSA-N 2 2 370.501 2.943 10 30 FFEELP CN(C[C@H]1CCC[N@H+](C)C1)C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329336898 512028952 /nfs/dbraw/zinc/02/89/52/512028952.db2.gz PLKVFXIPIIIRTL-HOTGVXAUSA-N 2 2 361.534 2.683 10 30 FFEELP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)CC[NH+]2C2CC2)c1 ZINC000329035222 965961907 /nfs/dbraw/zinc/96/19/07/965961907.db2.gz MPTYITZKCOFUKM-LWYYNNOASA-N 2 2 373.497 2.649 10 30 FFEELP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)CC[NH+]2C2CC2)c1 ZINC000329035222 965961917 /nfs/dbraw/zinc/96/19/17/965961917.db2.gz MPTYITZKCOFUKM-LWYYNNOASA-N 2 2 373.497 2.649 10 30 FFEELP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3C[C@H](OC)C[NH+]3C)CC[N@@H+]2C2CC2)c1 ZINC000329035222 965961925 /nfs/dbraw/zinc/96/19/25/965961925.db2.gz MPTYITZKCOFUKM-LWYYNNOASA-N 2 2 373.497 2.649 10 30 FFEELP C[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[N@@H+]1C ZINC000329676391 967935060 /nfs/dbraw/zinc/93/50/60/967935060.db2.gz UTZOPQCUSRZPOY-BZUAXINKSA-N 2 2 361.534 2.824 10 30 FFEELP C[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[N@H+]1C ZINC000329676391 967935067 /nfs/dbraw/zinc/93/50/67/967935067.db2.gz UTZOPQCUSRZPOY-BZUAXINKSA-N 2 2 361.534 2.824 10 30 FFEELP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000182000263 510701052 /nfs/dbraw/zinc/70/10/52/510701052.db2.gz QEBJCOWZBJXQOU-UTKZUKDTSA-N 2 2 365.477 2.659 10 30 FFEELP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000182000263 510701058 /nfs/dbraw/zinc/70/10/58/510701058.db2.gz QEBJCOWZBJXQOU-UTKZUKDTSA-N 2 2 365.477 2.659 10 30 FFEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000178746928 510752976 /nfs/dbraw/zinc/75/29/76/510752976.db2.gz OMXUTWFRKTYXSP-MRXNPFEDSA-N 2 2 357.845 2.820 10 30 FFEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000178746928 510752980 /nfs/dbraw/zinc/75/29/80/510752980.db2.gz OMXUTWFRKTYXSP-MRXNPFEDSA-N 2 2 357.845 2.820 10 30 FFEELP COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195279152 510755413 /nfs/dbraw/zinc/75/54/13/510755413.db2.gz ZAODRISKPWGYJC-LJQANCHMSA-N 2 2 350.466 2.916 10 30 FFEELP COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195279152 510755418 /nfs/dbraw/zinc/75/54/18/510755418.db2.gz ZAODRISKPWGYJC-LJQANCHMSA-N 2 2 350.466 2.916 10 30 FFEELP COc1cc(C#N)ccc1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195279152 510755427 /nfs/dbraw/zinc/75/54/27/510755427.db2.gz ZAODRISKPWGYJC-LJQANCHMSA-N 2 2 350.466 2.916 10 30 FFEELP COc1cc(C#N)ccc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195279152 510755436 /nfs/dbraw/zinc/75/54/36/510755436.db2.gz ZAODRISKPWGYJC-LJQANCHMSA-N 2 2 350.466 2.916 10 30 FFEELP CC(C)[N@@H+]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329281477 967615856 /nfs/dbraw/zinc/61/58/56/967615856.db2.gz NHAWSEZREHLOGE-INIZCTEOSA-N 2 2 361.534 2.826 10 30 FFEELP CC(C)[N@H+]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329281477 967615859 /nfs/dbraw/zinc/61/58/59/967615859.db2.gz NHAWSEZREHLOGE-INIZCTEOSA-N 2 2 361.534 2.826 10 30 FFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)CCC2 ZINC000328662374 511910580 /nfs/dbraw/zinc/91/05/80/511910580.db2.gz XHEKJHVFRMTEHQ-JENIJYKNSA-N 2 2 371.529 2.932 10 30 FFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C1)CCC2 ZINC000328662374 511910587 /nfs/dbraw/zinc/91/05/87/511910587.db2.gz XHEKJHVFRMTEHQ-JENIJYKNSA-N 2 2 371.529 2.932 10 30 FFEELP C[N@H+](CCCOc1ccc(C#N)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942237 509862407 /nfs/dbraw/zinc/86/24/07/509862407.db2.gz ULBJPXKYVHPWDU-UHFFFAOYSA-N 2 2 367.497 2.620 10 30 FFEELP C[N@@H+](CCCOc1ccc(C#N)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942237 509862411 /nfs/dbraw/zinc/86/24/11/509862411.db2.gz ULBJPXKYVHPWDU-UHFFFAOYSA-N 2 2 367.497 2.620 10 30 FFEELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCOc2cccc(C#N)c2)C1 ZINC000195290123 510763714 /nfs/dbraw/zinc/76/37/14/510763714.db2.gz LEDHWUXMRMJTDT-FQEVSTJZSA-N 2 2 350.466 2.786 10 30 FFEELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCOc2cccc(C#N)c2)C1 ZINC000195290123 510763720 /nfs/dbraw/zinc/76/37/20/510763720.db2.gz LEDHWUXMRMJTDT-FQEVSTJZSA-N 2 2 350.466 2.786 10 30 FFEELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000195290123 510763725 /nfs/dbraw/zinc/76/37/25/510763725.db2.gz LEDHWUXMRMJTDT-FQEVSTJZSA-N 2 2 350.466 2.786 10 30 FFEELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000195290123 510763731 /nfs/dbraw/zinc/76/37/31/510763731.db2.gz LEDHWUXMRMJTDT-FQEVSTJZSA-N 2 2 350.466 2.786 10 30 FFEELP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@H]([NH+](C)C)C3)n2)C1 ZINC000328905293 511949482 /nfs/dbraw/zinc/94/94/82/511949482.db2.gz AQUWDNSKRUJWNW-ZFWWWQNUSA-N 2 2 351.520 2.556 10 30 FFEELP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@H]([NH+](C)C)C3)n2)C1 ZINC000328905293 511949490 /nfs/dbraw/zinc/94/94/90/511949490.db2.gz AQUWDNSKRUJWNW-ZFWWWQNUSA-N 2 2 351.520 2.556 10 30 FFEELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC000329824005 512102122 /nfs/dbraw/zinc/10/21/22/512102122.db2.gz ZTGBYDGNIIIGNK-MQVJKMGUSA-N 2 2 359.518 2.831 10 30 FFEELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC000329824005 512102123 /nfs/dbraw/zinc/10/21/23/512102123.db2.gz ZTGBYDGNIIIGNK-MQVJKMGUSA-N 2 2 359.518 2.831 10 30 FFEELP C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180655357 510038057 /nfs/dbraw/zinc/03/80/57/510038057.db2.gz IKHJWPZMVANGFI-OXQOHEQNSA-N 2 2 362.433 2.834 10 30 FFEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000247779096 510870327 /nfs/dbraw/zinc/87/03/27/510870327.db2.gz RLEKSXGVSYBLQP-QAPCUYQASA-N 2 2 351.454 2.981 10 30 FFEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000247779096 510870328 /nfs/dbraw/zinc/87/03/28/510870328.db2.gz RLEKSXGVSYBLQP-QAPCUYQASA-N 2 2 351.454 2.981 10 30 FFEELP Cn1cc([C@H]2[C@H](C[N@H+](C)CCNC(=O)C3CCCC3)CCC[NH+]2C)cn1 ZINC000328646136 511906608 /nfs/dbraw/zinc/90/66/08/511906608.db2.gz SKFBBSGWEARDLI-PKOBYXMFSA-N 2 2 361.534 2.882 10 30 FFEELP Cn1cc([C@H]2[C@H](C[N@@H+](C)CCNC(=O)C3CCCC3)CCC[NH+]2C)cn1 ZINC000328646136 511906610 /nfs/dbraw/zinc/90/66/10/511906610.db2.gz SKFBBSGWEARDLI-PKOBYXMFSA-N 2 2 361.534 2.882 10 30 FFEELP Cn1cc([C@H]2[C@H](C[NH+](C)CCNC(=O)C3CCCC3)CCC[N@@H+]2C)cn1 ZINC000328646136 511906613 /nfs/dbraw/zinc/90/66/13/511906613.db2.gz SKFBBSGWEARDLI-PKOBYXMFSA-N 2 2 361.534 2.882 10 30 FFEELP Cn1cc([C@H]2[C@H](C[NH+](C)CCNC(=O)C3CCCC3)CCC[N@H+]2C)cn1 ZINC000328646136 511906618 /nfs/dbraw/zinc/90/66/18/511906618.db2.gz SKFBBSGWEARDLI-PKOBYXMFSA-N 2 2 361.534 2.882 10 30 FFEELP CC(C)[NH+]1CCC([NH+]=C([O-])N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329233551 512010595 /nfs/dbraw/zinc/01/05/95/512010595.db2.gz MAXZDWYOJQPLSX-MRXNPFEDSA-N 2 2 361.534 2.872 10 30 FFEELP CC(C)[NH+]1CCC(NC([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329233551 512010598 /nfs/dbraw/zinc/01/05/98/512010598.db2.gz MAXZDWYOJQPLSX-MRXNPFEDSA-N 2 2 361.534 2.872 10 30 FFEELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOc2ccccc2C#N)C1 ZINC000195280915 510757808 /nfs/dbraw/zinc/75/78/08/510757808.db2.gz OVRVTHVLTNXEQN-LJQANCHMSA-N 2 2 350.466 2.786 10 30 FFEELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOc2ccccc2C#N)C1 ZINC000195280915 510757814 /nfs/dbraw/zinc/75/78/14/510757814.db2.gz OVRVTHVLTNXEQN-LJQANCHMSA-N 2 2 350.466 2.786 10 30 FFEELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000195280915 510757820 /nfs/dbraw/zinc/75/78/20/510757820.db2.gz OVRVTHVLTNXEQN-LJQANCHMSA-N 2 2 350.466 2.786 10 30 FFEELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000195280915 510757827 /nfs/dbraw/zinc/75/78/27/510757827.db2.gz OVRVTHVLTNXEQN-LJQANCHMSA-N 2 2 350.466 2.786 10 30 FFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCCC[C@@H]([NH+]3CCCC3)C1)CCC2 ZINC000328721693 511920856 /nfs/dbraw/zinc/92/08/56/511920856.db2.gz RLPOOKIQTQBOMH-ZWKOTPCHSA-N 2 2 359.518 2.933 10 30 FFEELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC[C@H]3CC[C@@H](C1)[N@@H+]3C(C)C)CCC2 ZINC000328718869 511921181 /nfs/dbraw/zinc/92/11/81/511921181.db2.gz QAFLDGBHVGJPED-KURKYZTESA-N 2 2 359.518 2.930 10 30 FFEELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC[C@H]3CC[C@@H](C1)[N@H+]3C(C)C)CCC2 ZINC000328718869 511921186 /nfs/dbraw/zinc/92/11/86/511921186.db2.gz QAFLDGBHVGJPED-KURKYZTESA-N 2 2 359.518 2.930 10 30 FFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000106217619 250260341 /nfs/dbraw/zinc/26/03/41/250260341.db2.gz WYDTWNLYTLTJAF-GOSISDBHSA-N 2 2 351.454 2.983 10 30 FFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000106217619 250260343 /nfs/dbraw/zinc/26/03/43/250260343.db2.gz WYDTWNLYTLTJAF-GOSISDBHSA-N 2 2 351.454 2.983 10 30 FFEELP N#CCCN(C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171648180 510278573 /nfs/dbraw/zinc/27/85/73/510278573.db2.gz UMEDWVSJOKWHSC-SFHVURJKSA-N 2 2 363.465 2.762 10 30 FFEELP N#CCCN(C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000171648180 510278582 /nfs/dbraw/zinc/27/85/82/510278582.db2.gz UMEDWVSJOKWHSC-SFHVURJKSA-N 2 2 363.465 2.762 10 30 FFEELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000329093040 511982183 /nfs/dbraw/zinc/98/21/83/511982183.db2.gz KCMKGAMLWCESOX-ZBFHGGJFSA-N 2 2 363.531 2.843 10 30 FFEELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000329093040 511982185 /nfs/dbraw/zinc/98/21/85/511982185.db2.gz KCMKGAMLWCESOX-ZBFHGGJFSA-N 2 2 363.531 2.843 10 30 FFEELP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[NH+](C3CCCC3)CC1)C2 ZINC000329249773 512014115 /nfs/dbraw/zinc/01/41/15/512014115.db2.gz XGQVAFOPNSRVBQ-INIZCTEOSA-N 2 2 373.545 2.970 10 30 FFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000106217273 250259245 /nfs/dbraw/zinc/25/92/45/250259245.db2.gz RLEKSXGVSYBLQP-MAUKXSAKSA-N 2 2 351.454 2.981 10 30 FFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000106217273 250259248 /nfs/dbraw/zinc/25/92/48/250259248.db2.gz RLEKSXGVSYBLQP-MAUKXSAKSA-N 2 2 351.454 2.981 10 30 FFEELP N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647903 510276737 /nfs/dbraw/zinc/27/67/37/510276737.db2.gz ZYGKDWJMFMIERY-CQSZACIVSA-N 2 2 369.856 2.979 10 30 FFEELP N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171647903 510276743 /nfs/dbraw/zinc/27/67/43/510276743.db2.gz ZYGKDWJMFMIERY-CQSZACIVSA-N 2 2 369.856 2.979 10 30 FFEELP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195290774 510763407 /nfs/dbraw/zinc/76/34/07/510763407.db2.gz XDYQLUAVGFYNPA-AZUAARDMSA-N 2 2 358.530 2.648 10 30 FFEELP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195290774 510763412 /nfs/dbraw/zinc/76/34/12/510763412.db2.gz XDYQLUAVGFYNPA-AZUAARDMSA-N 2 2 358.530 2.648 10 30 FFEELP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195290774 510763415 /nfs/dbraw/zinc/76/34/15/510763415.db2.gz XDYQLUAVGFYNPA-AZUAARDMSA-N 2 2 358.530 2.648 10 30 FFEELP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195290774 510763421 /nfs/dbraw/zinc/76/34/21/510763421.db2.gz XDYQLUAVGFYNPA-AZUAARDMSA-N 2 2 358.530 2.648 10 30 FFEELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000329093034 511981726 /nfs/dbraw/zinc/98/17/26/511981726.db2.gz KCMKGAMLWCESOX-GOEBONIOSA-N 2 2 363.531 2.843 10 30 FFEELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000329093034 511981733 /nfs/dbraw/zinc/98/17/33/511981733.db2.gz KCMKGAMLWCESOX-GOEBONIOSA-N 2 2 363.531 2.843 10 30 FFEELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123801798 508740375 /nfs/dbraw/zinc/74/03/75/508740375.db2.gz LTPZJJDYARHLOR-UZLBHIALSA-N 2 2 360.465 2.601 10 30 FFEELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123801798 508740379 /nfs/dbraw/zinc/74/03/79/508740379.db2.gz LTPZJJDYARHLOR-UZLBHIALSA-N 2 2 360.465 2.601 10 30 FFEELP C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180655324 510038205 /nfs/dbraw/zinc/03/82/05/510038205.db2.gz IKHJWPZMVANGFI-UZLBHIALSA-N 2 2 362.433 2.834 10 30 FFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000171524864 510206657 /nfs/dbraw/zinc/20/66/57/510206657.db2.gz ZXNAKBPEUQGEJB-GOSISDBHSA-N 2 2 351.454 2.983 10 30 FFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000171524864 510206661 /nfs/dbraw/zinc/20/66/61/510206661.db2.gz ZXNAKBPEUQGEJB-GOSISDBHSA-N 2 2 351.454 2.983 10 30 FFEELP N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171647897 510278091 /nfs/dbraw/zinc/27/80/91/510278091.db2.gz ZYGKDWJMFMIERY-AWEZNQCLSA-N 2 2 369.856 2.979 10 30 FFEELP N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171647897 510278095 /nfs/dbraw/zinc/27/80/95/510278095.db2.gz ZYGKDWJMFMIERY-AWEZNQCLSA-N 2 2 369.856 2.979 10 30 FFEELP O=C(NCc1cn2c([nH+]1)CCCC2)NC1CC[NH+](CC2CCCC2)CC1 ZINC000328841783 511938408 /nfs/dbraw/zinc/93/84/08/511938408.db2.gz OXXKABZBZXMKBV-UHFFFAOYSA-N 2 2 359.518 2.878 10 30 FFEELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000329093037 511982320 /nfs/dbraw/zinc/98/23/20/511982320.db2.gz KCMKGAMLWCESOX-HOCLYGCPSA-N 2 2 363.531 2.843 10 30 FFEELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000329093037 511982323 /nfs/dbraw/zinc/98/23/23/511982323.db2.gz KCMKGAMLWCESOX-HOCLYGCPSA-N 2 2 363.531 2.843 10 30 FFEELP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H]1c1ccccc1 ZINC000329090524 511980877 /nfs/dbraw/zinc/98/08/77/511980877.db2.gz WNZGUSBADJMGER-BJLQDIEVSA-N 2 2 368.481 2.864 10 30 FFEELP CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H]1c1ccccc1 ZINC000329090524 511980884 /nfs/dbraw/zinc/98/08/84/511980884.db2.gz WNZGUSBADJMGER-BJLQDIEVSA-N 2 2 368.481 2.864 10 30 FFEELP Cc1ccc(N(CCC#N)C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1C ZINC000248199160 509259231 /nfs/dbraw/zinc/25/92/31/509259231.db2.gz YBRNIJYILWHHLF-PZJWPPBQSA-N 2 2 368.525 2.966 10 30 FFEELP Cc1ccc(N(CCC#N)C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C ZINC000248199160 509259236 /nfs/dbraw/zinc/25/92/36/509259236.db2.gz YBRNIJYILWHHLF-PZJWPPBQSA-N 2 2 368.525 2.966 10 30 FFEELP Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000248199160 509259244 /nfs/dbraw/zinc/25/92/44/509259244.db2.gz YBRNIJYILWHHLF-PZJWPPBQSA-N 2 2 368.525 2.966 10 30 FFEELP Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000248199160 509259255 /nfs/dbraw/zinc/25/92/55/509259255.db2.gz YBRNIJYILWHHLF-PZJWPPBQSA-N 2 2 368.525 2.966 10 30 FFEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000178748213 510752720 /nfs/dbraw/zinc/75/27/20/510752720.db2.gz KSRUSAYECPMIMO-MRXNPFEDSA-N 2 2 369.494 2.910 10 30 FFEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000178748213 510752725 /nfs/dbraw/zinc/75/27/25/510752725.db2.gz KSRUSAYECPMIMO-MRXNPFEDSA-N 2 2 369.494 2.910 10 30 FFEELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cc(C#N)n(C)c2)[C@@H]1c1cnn(C)c1 ZINC000364589957 510958322 /nfs/dbraw/zinc/95/83/22/510958322.db2.gz OKFIWZZSJRSXAL-FXAWDEMLSA-N 2 2 354.502 2.535 10 30 FFEELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cc(C#N)n(C)c2)[C@@H]1c1cnn(C)c1 ZINC000364589957 510958325 /nfs/dbraw/zinc/95/83/25/510958325.db2.gz OKFIWZZSJRSXAL-FXAWDEMLSA-N 2 2 354.502 2.535 10 30 FFEELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cc(C#N)n(C)c2)[C@@H]1c1cnn(C)c1 ZINC000364589957 510958330 /nfs/dbraw/zinc/95/83/30/510958330.db2.gz OKFIWZZSJRSXAL-FXAWDEMLSA-N 2 2 354.502 2.535 10 30 FFEELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cc(C#N)n(C)c2)[C@@H]1c1cnn(C)c1 ZINC000364589957 510958334 /nfs/dbraw/zinc/95/83/34/510958334.db2.gz OKFIWZZSJRSXAL-FXAWDEMLSA-N 2 2 354.502 2.535 10 30 FFEELP C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367413698 512487758 /nfs/dbraw/zinc/48/77/58/512487758.db2.gz VLOBMLAPYVTPLV-OAQYLSRUSA-N 2 2 350.466 2.583 10 30 FFEELP C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367413698 512487763 /nfs/dbraw/zinc/48/77/63/512487763.db2.gz VLOBMLAPYVTPLV-OAQYLSRUSA-N 2 2 350.466 2.583 10 30 FFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000106217336 508398136 /nfs/dbraw/zinc/39/81/36/508398136.db2.gz DCNYBVFEDHPRCA-QGZVFWFLSA-N 2 2 357.502 2.767 10 30 FFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000106217336 508398137 /nfs/dbraw/zinc/39/81/37/508398137.db2.gz DCNYBVFEDHPRCA-QGZVFWFLSA-N 2 2 357.502 2.767 10 30 FFEELP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000157743050 508605193 /nfs/dbraw/zinc/60/51/93/508605193.db2.gz OGJXJVOLBWTWOW-KRWDZBQOSA-N 2 2 352.438 2.775 10 30 FFEELP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000157743050 508605195 /nfs/dbraw/zinc/60/51/95/508605195.db2.gz OGJXJVOLBWTWOW-KRWDZBQOSA-N 2 2 352.438 2.775 10 30 FFEELP Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(C#N)c1C ZINC000154571762 508812041 /nfs/dbraw/zinc/81/20/41/508812041.db2.gz APRFNNASZCTCNJ-CZUORRHYSA-N 2 2 355.442 2.765 10 30 FFEELP Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(C#N)c1C ZINC000154571762 508812045 /nfs/dbraw/zinc/81/20/45/508812045.db2.gz APRFNNASZCTCNJ-CZUORRHYSA-N 2 2 355.442 2.765 10 30 FFEELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOc2ccc(C#N)cc2)C1 ZINC000195300452 510772163 /nfs/dbraw/zinc/77/21/63/510772163.db2.gz FTIIYTGAOQFUBQ-HXUWFJFHSA-N 2 2 350.466 2.786 10 30 FFEELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOc2ccc(C#N)cc2)C1 ZINC000195300452 510772171 /nfs/dbraw/zinc/77/21/71/510772171.db2.gz FTIIYTGAOQFUBQ-HXUWFJFHSA-N 2 2 350.466 2.786 10 30 FFEELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000195300452 510772174 /nfs/dbraw/zinc/77/21/74/510772174.db2.gz FTIIYTGAOQFUBQ-HXUWFJFHSA-N 2 2 350.466 2.786 10 30 FFEELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000195300452 510772181 /nfs/dbraw/zinc/77/21/81/510772181.db2.gz FTIIYTGAOQFUBQ-HXUWFJFHSA-N 2 2 350.466 2.786 10 30 FFEELP C#CCC[NH+]1CCN(c2c(C(=O)OCC)c[nH+]c3c(C)cccc32)CC1 ZINC000301982292 511703848 /nfs/dbraw/zinc/70/38/48/511703848.db2.gz JORDGLUCIWWJGZ-UHFFFAOYSA-N 2 2 351.450 2.865 10 30 FFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H](C3CC[NH+](C)CC3)C1)CCC2 ZINC000328772035 511929636 /nfs/dbraw/zinc/92/96/36/511929636.db2.gz AZBAIWLWANFXNV-ROUUACIJSA-N 2 2 359.518 2.647 10 30 FFEELP CC(C)[N@@H+]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329281480 967616223 /nfs/dbraw/zinc/61/62/23/967616223.db2.gz NHAWSEZREHLOGE-MRXNPFEDSA-N 2 2 361.534 2.826 10 30 FFEELP CC(C)[N@H+]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329281480 967616229 /nfs/dbraw/zinc/61/62/29/967616229.db2.gz NHAWSEZREHLOGE-MRXNPFEDSA-N 2 2 361.534 2.826 10 30 FFEELP C[NH+]1CCC(CNC(=O)/C=C/c2cccc(C#N)c2)([NH+]2CCCCC2)CC1 ZINC000172753963 509215863 /nfs/dbraw/zinc/21/58/63/509215863.db2.gz VILPHHTXXKXMSH-CMDGGOBGSA-N 2 2 366.509 2.638 10 30 FFEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000171524867 510207149 /nfs/dbraw/zinc/20/71/49/510207149.db2.gz ZXNAKBPEUQGEJB-SFHVURJKSA-N 2 2 351.454 2.983 10 30 FFEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000171524867 510207153 /nfs/dbraw/zinc/20/71/53/510207153.db2.gz ZXNAKBPEUQGEJB-SFHVURJKSA-N 2 2 351.454 2.983 10 30 FFEELP CC(C)c1[nH+]c2c(n1C)CCN(C([O-])=[NH+]C[C@@H]1CCCn3cc[nH+]c31)C2 ZINC000328606660 511892055 /nfs/dbraw/zinc/89/20/55/511892055.db2.gz KOSHLQNQPSEXQK-AWEZNQCLSA-N 2 2 356.474 2.590 10 30 FFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCCC[C@H]([NH+]3CCCC3)C1)CCC2 ZINC000328721692 511920755 /nfs/dbraw/zinc/92/07/55/511920755.db2.gz RLPOOKIQTQBOMH-ROUUACIJSA-N 2 2 359.518 2.933 10 30 FFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000106214435 250254829 /nfs/dbraw/zinc/25/48/29/250254829.db2.gz QNGRVGJNFHBGFA-QGZVFWFLSA-N 2 2 351.454 2.983 10 30 FFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000106214435 250254834 /nfs/dbraw/zinc/25/48/34/250254834.db2.gz QNGRVGJNFHBGFA-QGZVFWFLSA-N 2 2 351.454 2.983 10 30 FFEELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000106166011 508396784 /nfs/dbraw/zinc/39/67/84/508396784.db2.gz XVPHZASGNKICTC-UHFFFAOYSA-N 2 2 365.481 2.621 10 30 FFEELP CCO[C@@H]1C[C@](O)(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000189420253 509567370 /nfs/dbraw/zinc/56/73/70/509567370.db2.gz SBESJRDIYQYDOL-IRLDBZIGSA-N 2 2 371.525 2.678 10 30 FFEELP C[N@H+](CC#Cc1ccc(Cl)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000177133880 509892280 /nfs/dbraw/zinc/89/22/80/509892280.db2.gz UKAUSXLIXBTAME-UHFFFAOYSA-N 2 2 356.901 2.984 10 30 FFEELP C[N@@H+](CC#Cc1ccc(Cl)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000177133880 509892284 /nfs/dbraw/zinc/89/22/84/509892284.db2.gz UKAUSXLIXBTAME-UHFFFAOYSA-N 2 2 356.901 2.984 10 30 FFEELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000246750484 510653621 /nfs/dbraw/zinc/65/36/21/510653621.db2.gz LTPZJJDYARHLOR-OXQOHEQNSA-N 2 2 360.465 2.601 10 30 FFEELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000246750484 510653623 /nfs/dbraw/zinc/65/36/23/510653623.db2.gz LTPZJJDYARHLOR-OXQOHEQNSA-N 2 2 360.465 2.601 10 30 FFEELP C[C@H]([NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000182087009 510750892 /nfs/dbraw/zinc/75/08/92/510750892.db2.gz VYZNPZPMQAFWPC-WMQCIHAUSA-N 2 2 365.477 2.875 10 30 FFEELP C[C@H]([NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000182087009 510750898 /nfs/dbraw/zinc/75/08/98/510750898.db2.gz VYZNPZPMQAFWPC-WMQCIHAUSA-N 2 2 365.477 2.875 10 30 FFEELP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CC[NH+](C3CCC3)CC1)C2 ZINC000329383641 512037317 /nfs/dbraw/zinc/03/73/17/512037317.db2.gz OYLUWHMAAPNPGU-OAHLLOKOSA-N 2 2 359.518 2.580 10 30 FFEELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329784958 968036454 /nfs/dbraw/zinc/03/64/54/968036454.db2.gz WOEBNTHTJLUMRN-GVDBMIGSSA-N 2 2 373.545 2.968 10 30 FFEELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329784958 968036463 /nfs/dbraw/zinc/03/64/63/968036463.db2.gz WOEBNTHTJLUMRN-GVDBMIGSSA-N 2 2 373.545 2.968 10 30 FFEELP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195254222 510738964 /nfs/dbraw/zinc/73/89/64/510738964.db2.gz FJCYFYKWCUQILF-KRWDZBQOSA-N 2 2 364.559 2.630 10 30 FFEELP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195254222 510738969 /nfs/dbraw/zinc/73/89/69/510738969.db2.gz FJCYFYKWCUQILF-KRWDZBQOSA-N 2 2 364.559 2.630 10 30 FFEELP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195254222 510738977 /nfs/dbraw/zinc/73/89/77/510738977.db2.gz FJCYFYKWCUQILF-KRWDZBQOSA-N 2 2 364.559 2.630 10 30 FFEELP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195254222 510738985 /nfs/dbraw/zinc/73/89/85/510738985.db2.gz FJCYFYKWCUQILF-KRWDZBQOSA-N 2 2 364.559 2.630 10 30 FFEELP CCO[C@H]1C[C@](O)(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000189420275 509567341 /nfs/dbraw/zinc/56/73/41/509567341.db2.gz SBESJRDIYQYDOL-UNMCSNQZSA-N 2 2 371.525 2.678 10 30 FFEELP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CC[NH+](C3CCCC3)CC1)C2 ZINC000329249776 512013739 /nfs/dbraw/zinc/01/37/39/512013739.db2.gz XGQVAFOPNSRVBQ-MRXNPFEDSA-N 2 2 373.545 2.970 10 30 FFEELP C[N@H+](CCOc1ccccc1C#N)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328648978 210125179 /nfs/dbraw/zinc/12/51/79/210125179.db2.gz UVGWXIRVMZFDCZ-FPOVZHCZSA-N 2 2 350.466 2.957 10 30 FFEELP C[N@@H+](CCOc1ccccc1C#N)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328648978 210125185 /nfs/dbraw/zinc/12/51/85/210125185.db2.gz UVGWXIRVMZFDCZ-FPOVZHCZSA-N 2 2 350.466 2.957 10 30 FFEELP C[NH+](CCOc1ccccc1C#N)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328648978 210125190 /nfs/dbraw/zinc/12/51/90/210125190.db2.gz UVGWXIRVMZFDCZ-FPOVZHCZSA-N 2 2 350.466 2.957 10 30 FFEELP C[NH+](CCOc1ccccc1C#N)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328648978 210125192 /nfs/dbraw/zinc/12/51/92/210125192.db2.gz UVGWXIRVMZFDCZ-FPOVZHCZSA-N 2 2 350.466 2.957 10 30 FFEELP N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1Cl ZINC000171646704 510275961 /nfs/dbraw/zinc/27/59/61/510275961.db2.gz RIMVPYKGQWDZBW-CQSZACIVSA-N 2 2 369.856 2.979 10 30 FFEELP N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1Cl ZINC000171646704 510275969 /nfs/dbraw/zinc/27/59/69/510275969.db2.gz RIMVPYKGQWDZBW-CQSZACIVSA-N 2 2 369.856 2.979 10 30 FFEELP C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1C ZINC000174889180 510368689 /nfs/dbraw/zinc/36/86/89/510368689.db2.gz ZJEFPYVSTUGRDS-FQEVSTJZSA-N 2 2 372.557 2.576 10 30 FFEELP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1C ZINC000174889180 510368698 /nfs/dbraw/zinc/36/86/98/510368698.db2.gz ZJEFPYVSTUGRDS-FQEVSTJZSA-N 2 2 372.557 2.576 10 30 FFEELP Cc1nc2n(n1)CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182006962 510704450 /nfs/dbraw/zinc/70/44/50/510704450.db2.gz ZJFYJCJXPHXLHL-LJQANCHMSA-N 2 2 350.470 2.547 10 30 FFEELP CC(C)c1[nH+]c2c(n1C)CCN(C([O-])=[NH+]C[C@H]1CCCn3cc[nH+]c31)C2 ZINC000328606662 511892335 /nfs/dbraw/zinc/89/23/35/511892335.db2.gz KOSHLQNQPSEXQK-CQSZACIVSA-N 2 2 356.474 2.590 10 30 FFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)CCC2 ZINC000328698235 511916653 /nfs/dbraw/zinc/91/66/53/511916653.db2.gz HLTNIMSTAWRNMV-OALUTQOASA-N 2 2 367.497 2.972 10 30 FFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)CCC2 ZINC000328698235 511916657 /nfs/dbraw/zinc/91/66/57/511916657.db2.gz HLTNIMSTAWRNMV-OALUTQOASA-N 2 2 367.497 2.972 10 30 FFEELP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@@H]([NH+](C)C)C3)n2)C1 ZINC000328905292 511949023 /nfs/dbraw/zinc/94/90/23/511949023.db2.gz AQUWDNSKRUJWNW-UKRRQHHQSA-N 2 2 351.520 2.556 10 30 FFEELP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@@H]([NH+](C)C)C3)n2)C1 ZINC000328905292 511949025 /nfs/dbraw/zinc/94/90/25/511949025.db2.gz AQUWDNSKRUJWNW-UKRRQHHQSA-N 2 2 351.520 2.556 10 30 FFEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000106214437 250254859 /nfs/dbraw/zinc/25/48/59/250254859.db2.gz QNGRVGJNFHBGFA-KRWDZBQOSA-N 2 2 351.454 2.983 10 30 FFEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000106214437 250254863 /nfs/dbraw/zinc/25/48/63/250254863.db2.gz QNGRVGJNFHBGFA-KRWDZBQOSA-N 2 2 351.454 2.983 10 30 FFEELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)Nc3sccc3C#N)C2)[nH+]1 ZINC000171652805 510283436 /nfs/dbraw/zinc/28/34/36/510283436.db2.gz OJGCAHLSWLTHTN-CQSZACIVSA-N 2 2 355.467 2.696 10 30 FFEELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)Nc3sccc3C#N)C2)[nH+]1 ZINC000171652805 510283444 /nfs/dbraw/zinc/28/34/44/510283444.db2.gz OJGCAHLSWLTHTN-CQSZACIVSA-N 2 2 355.467 2.696 10 30 FFEELP C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)CCO1 ZINC000092079611 508042035 /nfs/dbraw/zinc/04/20/35/508042035.db2.gz NFRMEDTVLJPRSX-SFHVURJKSA-N 2 2 356.514 2.722 10 30 FFEELP C[C@H]1C[N@H+](C2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)CCO1 ZINC000092079611 508042039 /nfs/dbraw/zinc/04/20/39/508042039.db2.gz NFRMEDTVLJPRSX-SFHVURJKSA-N 2 2 356.514 2.722 10 30 FFEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000177372471 510019520 /nfs/dbraw/zinc/01/95/20/510019520.db2.gz WCFLDUUDBHNGET-OAHLLOKOSA-N 2 2 357.483 2.845 10 30 FFEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000177372471 510019527 /nfs/dbraw/zinc/01/95/27/510019527.db2.gz WCFLDUUDBHNGET-OAHLLOKOSA-N 2 2 357.483 2.845 10 30 FFEELP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000182000249 510701461 /nfs/dbraw/zinc/70/14/61/510701461.db2.gz QEBJCOWZBJXQOU-UWJYYQICSA-N 2 2 365.477 2.659 10 30 FFEELP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000182000249 510701466 /nfs/dbraw/zinc/70/14/66/510701466.db2.gz QEBJCOWZBJXQOU-UWJYYQICSA-N 2 2 365.477 2.659 10 30 FFEELP CN(CC1CC[NH+](C)CC1)C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329188835 512000689 /nfs/dbraw/zinc/00/06/89/512000689.db2.gz BSRZOGNKHZYVPR-MRXNPFEDSA-N 2 2 361.534 2.683 10 30 FFEELP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH+]4CCC[C@H]4C3)n2)C1 ZINC000329349578 512031905 /nfs/dbraw/zinc/03/19/05/512031905.db2.gz DWACTEWJGKIKIG-ZBFHGGJFSA-N 2 2 363.531 2.701 10 30 FFEELP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH+]4CCC[C@H]4C3)n2)C1 ZINC000329349578 512031911 /nfs/dbraw/zinc/03/19/11/512031911.db2.gz DWACTEWJGKIKIG-ZBFHGGJFSA-N 2 2 363.531 2.701 10 30 FFEELP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)n2)C1 ZINC000329349578 512031917 /nfs/dbraw/zinc/03/19/17/512031917.db2.gz DWACTEWJGKIKIG-ZBFHGGJFSA-N 2 2 363.531 2.701 10 30 FFEELP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH+]4CCC[C@H]4C3)n2)C1 ZINC000329349577 512032398 /nfs/dbraw/zinc/03/23/98/512032398.db2.gz DWACTEWJGKIKIG-HOCLYGCPSA-N 2 2 363.531 2.701 10 30 FFEELP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH+]4CCC[C@H]4C3)n2)C1 ZINC000329349577 512032402 /nfs/dbraw/zinc/03/24/02/512032402.db2.gz DWACTEWJGKIKIG-HOCLYGCPSA-N 2 2 363.531 2.701 10 30 FFEELP C[C@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)n2)C1 ZINC000329349577 512032404 /nfs/dbraw/zinc/03/24/04/512032404.db2.gz DWACTEWJGKIKIG-HOCLYGCPSA-N 2 2 363.531 2.701 10 30 FFEELP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)CC[NH+]2C2CC2)c1 ZINC000329035223 965961541 /nfs/dbraw/zinc/96/15/41/965961541.db2.gz MPTYITZKCOFUKM-ZGXWSNOMSA-N 2 2 373.497 2.649 10 30 FFEELP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)CC[NH+]2C2CC2)c1 ZINC000329035223 965961549 /nfs/dbraw/zinc/96/15/49/965961549.db2.gz MPTYITZKCOFUKM-ZGXWSNOMSA-N 2 2 373.497 2.649 10 30 FFEELP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3C[C@H](OC)C[NH+]3C)CC[N@@H+]2C2CC2)c1 ZINC000329035223 965961558 /nfs/dbraw/zinc/96/15/58/965961558.db2.gz MPTYITZKCOFUKM-ZGXWSNOMSA-N 2 2 373.497 2.649 10 30 FFEELP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000157742897 508605060 /nfs/dbraw/zinc/60/50/60/508605060.db2.gz OGJXJVOLBWTWOW-QGZVFWFLSA-N 2 2 352.438 2.775 10 30 FFEELP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000157742897 508605066 /nfs/dbraw/zinc/60/50/66/508605066.db2.gz OGJXJVOLBWTWOW-QGZVFWFLSA-N 2 2 352.438 2.775 10 30 FFEELP CCO[C@H]1C[C@@](O)(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000189420319 509566932 /nfs/dbraw/zinc/56/69/32/509566932.db2.gz SBESJRDIYQYDOL-RBBKRZOGSA-N 2 2 371.525 2.678 10 30 FFEELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000190482116 510156067 /nfs/dbraw/zinc/15/60/67/510156067.db2.gz PFPRBHMQHJUBQR-LJQANCHMSA-N 2 2 360.465 2.555 10 30 FFEELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000190482116 510156073 /nfs/dbraw/zinc/15/60/73/510156073.db2.gz PFPRBHMQHJUBQR-LJQANCHMSA-N 2 2 360.465 2.555 10 30 FFEELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000190482116 510156078 /nfs/dbraw/zinc/15/60/78/510156078.db2.gz PFPRBHMQHJUBQR-LJQANCHMSA-N 2 2 360.465 2.555 10 30 FFEELP N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1=O ZINC000246616758 510586377 /nfs/dbraw/zinc/58/63/77/510586377.db2.gz YOSCGDKKWJESJF-ZBFHGGJFSA-N 2 2 367.478 2.554 10 30 FFEELP N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1=O ZINC000246616758 510586385 /nfs/dbraw/zinc/58/63/85/510586385.db2.gz YOSCGDKKWJESJF-ZBFHGGJFSA-N 2 2 367.478 2.554 10 30 FFEELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc(OCC#N)cc2)nc[nH+]1 ZINC000181934555 510667954 /nfs/dbraw/zinc/66/79/54/510667954.db2.gz BCSJWBDFBKXPNK-WBVHZDCISA-N 2 2 366.469 2.740 10 30 FFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@@H]([NH+]3CCCC3)CC1)CCC2 ZINC000328657925 511911406 /nfs/dbraw/zinc/91/14/06/511911406.db2.gz QAPYOVPPGAZRQV-ZWKOTPCHSA-N 2 2 359.518 2.933 10 30 FFEELP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H]1c1ccccc1 ZINC000329090525 511981087 /nfs/dbraw/zinc/98/10/87/511981087.db2.gz WNZGUSBADJMGER-HBFSDRIKSA-N 2 2 368.481 2.864 10 30 FFEELP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H]1c1ccccc1 ZINC000329090525 511981089 /nfs/dbraw/zinc/98/10/89/511981089.db2.gz WNZGUSBADJMGER-HBFSDRIKSA-N 2 2 368.481 2.864 10 30 FFEELP C=CCC[C@H](C[N@@H+]1CCCOCC1)Oc1ccc(Cn2cc[nH+]c2)cn1 ZINC000072411680 507785799 /nfs/dbraw/zinc/78/57/99/507785799.db2.gz HOUVQCCNNVKJAP-LJQANCHMSA-N 2 2 356.470 2.762 10 30 FFEELP C=CCC[C@H](C[N@H+]1CCCOCC1)Oc1ccc(Cn2cc[nH+]c2)cn1 ZINC000072411680 507785802 /nfs/dbraw/zinc/78/58/02/507785802.db2.gz HOUVQCCNNVKJAP-LJQANCHMSA-N 2 2 356.470 2.762 10 30 FFEELP C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000173196594 509449183 /nfs/dbraw/zinc/44/91/83/509449183.db2.gz IBELVKRUULXTRC-MRXNPFEDSA-N 2 2 353.470 2.883 10 30 FFEELP N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1=O ZINC000177034566 509829908 /nfs/dbraw/zinc/82/99/08/509829908.db2.gz YOSCGDKKWJESJF-GDBMZVCRSA-N 2 2 367.478 2.554 10 30 FFEELP N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1=O ZINC000177034566 509829911 /nfs/dbraw/zinc/82/99/11/509829911.db2.gz YOSCGDKKWJESJF-GDBMZVCRSA-N 2 2 367.478 2.554 10 30 FFEELP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H]1c1ccccc1 ZINC000329080752 511979558 /nfs/dbraw/zinc/97/95/58/511979558.db2.gz RIPCJAXZBNTRHH-HOJAQTOUSA-N 2 2 368.481 2.864 10 30 FFEELP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H]1c1ccccc1 ZINC000329080752 511979566 /nfs/dbraw/zinc/97/95/66/511979566.db2.gz RIPCJAXZBNTRHH-HOJAQTOUSA-N 2 2 368.481 2.864 10 30 FFEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000106214532 250255442 /nfs/dbraw/zinc/25/54/42/250255442.db2.gz GXPYVRSATKGIRD-HNNXBMFYSA-N 2 2 355.442 2.803 10 30 FFEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000106214532 250255444 /nfs/dbraw/zinc/25/54/44/250255444.db2.gz GXPYVRSATKGIRD-HNNXBMFYSA-N 2 2 355.442 2.803 10 30 FFEELP C=CCOc1cccc(C[NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)c1 ZINC000109069885 507936045 /nfs/dbraw/zinc/93/60/45/507936045.db2.gz FPWMQGDPROPDAJ-QGZVFWFLSA-N 2 2 353.470 2.842 10 30 FFEELP C[C@@H](C#N)Oc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000121205489 509149891 /nfs/dbraw/zinc/14/98/91/509149891.db2.gz FUVKLIJKOKVLOW-SFHVURJKSA-N 2 2 367.497 2.770 10 30 FFEELP C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000121205489 509149893 /nfs/dbraw/zinc/14/98/93/509149893.db2.gz FUVKLIJKOKVLOW-SFHVURJKSA-N 2 2 367.497 2.770 10 30 FFEELP C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180675848 510049716 /nfs/dbraw/zinc/04/97/16/510049716.db2.gz QHEMARUGKUQAPV-MRXNPFEDSA-N 2 2 351.454 2.866 10 30 FFEELP Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C#N)c1C ZINC000171643432 510272155 /nfs/dbraw/zinc/27/21/55/510272155.db2.gz HPVWWDGOOZNDOS-GDBMZVCRSA-N 2 2 367.453 2.924 10 30 FFEELP Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C#N)c1C ZINC000171643432 510272162 /nfs/dbraw/zinc/27/21/62/510272162.db2.gz HPVWWDGOOZNDOS-GDBMZVCRSA-N 2 2 367.453 2.924 10 30 FFEELP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@H]([NH+](C)C)C3)n2)C1 ZINC000328905290 511949045 /nfs/dbraw/zinc/94/90/45/511949045.db2.gz AQUWDNSKRUJWNW-HIFRSBDPSA-N 2 2 351.520 2.556 10 30 FFEELP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@H]([NH+](C)C)C3)n2)C1 ZINC000328905290 511949046 /nfs/dbraw/zinc/94/90/46/511949046.db2.gz AQUWDNSKRUJWNW-HIFRSBDPSA-N 2 2 351.520 2.556 10 30 FFEELP C[C@H](NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000329268955 512017336 /nfs/dbraw/zinc/01/73/36/512017336.db2.gz GUUFLUZOYLDIGN-TXPKVOOTSA-N 2 2 353.470 2.873 10 30 FFEELP C[C@H](NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000329268955 512017343 /nfs/dbraw/zinc/01/73/43/512017343.db2.gz GUUFLUZOYLDIGN-TXPKVOOTSA-N 2 2 353.470 2.873 10 30 FFEELP Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2ccc(F)c(C#N)c2)CCC[NH+]1C ZINC000500412668 515696923 /nfs/dbraw/zinc/69/69/23/515696923.db2.gz WQHBYUUJPYCJKU-OXJNMPFZSA-N 2 2 355.461 2.946 10 30 FFEELP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2ccc(F)c(C#N)c2)CCC[NH+]1C ZINC000500412668 515696932 /nfs/dbraw/zinc/69/69/32/515696932.db2.gz WQHBYUUJPYCJKU-OXJNMPFZSA-N 2 2 355.461 2.946 10 30 FFEELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2ccc(F)c(C#N)c2)CCC[N@@H+]1C ZINC000500412668 515696938 /nfs/dbraw/zinc/69/69/38/515696938.db2.gz WQHBYUUJPYCJKU-OXJNMPFZSA-N 2 2 355.461 2.946 10 30 FFEELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2ccc(F)c(C#N)c2)CCC[N@H+]1C ZINC000500412668 515696946 /nfs/dbraw/zinc/69/69/46/515696946.db2.gz WQHBYUUJPYCJKU-OXJNMPFZSA-N 2 2 355.461 2.946 10 30 FFEELP C=C(C)CNC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(C)n3)CC2)CC1 ZINC000015062279 518606303 /nfs/dbraw/zinc/60/63/03/518606303.db2.gz PNXKFUMJGAPFIA-UHFFFAOYSA-N 2 2 370.541 2.759 10 30 FFEELP Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c(C#N)c1C ZINC000106164312 250245649 /nfs/dbraw/zinc/24/56/49/250245649.db2.gz XUUBENXYYDVXBS-AWEZNQCLSA-N 2 2 369.469 2.783 10 30 FFEELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000106166396 250246438 /nfs/dbraw/zinc/24/64/38/250246438.db2.gz LCUUTILNLNOCSM-UHFFFAOYSA-N 2 2 371.872 2.838 10 30 FFEELP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106164822 250246924 /nfs/dbraw/zinc/24/69/24/250246924.db2.gz MAHJZFPPTOGFAB-OAHLLOKOSA-N 2 2 351.454 2.573 10 30 FFEELP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106164821 250246977 /nfs/dbraw/zinc/24/69/77/250246977.db2.gz MAHJZFPPTOGFAB-HNNXBMFYSA-N 2 2 351.454 2.573 10 30 FFEELP Cc1cc(N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C#N)c(C)[nH+]1 ZINC000302395458 258100679 /nfs/dbraw/zinc/10/06/79/258100679.db2.gz CVRSJWIYZXDZTP-NRFANRHFSA-N 2 2 350.466 2.643 10 30 FFEELP C[N@H+](CC#Cc1cccc(Cl)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000159941269 508915149 /nfs/dbraw/zinc/91/51/49/508915149.db2.gz ZVHBMJOUQXRJPU-UHFFFAOYSA-N 2 2 356.901 2.984 10 30 FFEELP COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000177034694 509831708 /nfs/dbraw/zinc/83/17/08/509831708.db2.gz FJIFHPILWWPMHW-XLIONFOSSA-N 2 2 364.449 2.910 10 30 FFEELP COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000177034694 509831715 /nfs/dbraw/zinc/83/17/15/509831715.db2.gz FJIFHPILWWPMHW-XLIONFOSSA-N 2 2 364.449 2.910 10 30 FFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1C[N@H+](Cc3ccccc3)CCO1)CCC2 ZINC000328662729 511912497 /nfs/dbraw/zinc/91/24/97/511912497.db2.gz XNLGVXREHSIMDG-OALUTQOASA-N 2 2 368.481 2.926 10 30 FFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc3ccccc3)CCO1)CCC2 ZINC000328662729 511912499 /nfs/dbraw/zinc/91/24/99/511912499.db2.gz XNLGVXREHSIMDG-OALUTQOASA-N 2 2 368.481 2.926 10 30 FFEELP CC(C)[NH+]1CCC([NH+]=C([O-])N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329233550 512010694 /nfs/dbraw/zinc/01/06/94/512010694.db2.gz MAXZDWYOJQPLSX-INIZCTEOSA-N 2 2 361.534 2.872 10 30 FFEELP CC(C)[NH+]1CCC(NC([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329233550 512010697 /nfs/dbraw/zinc/01/06/97/512010697.db2.gz MAXZDWYOJQPLSX-INIZCTEOSA-N 2 2 361.534 2.872 10 30 FFEELP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[C@@H]([NH+]3CCCCC3)C1)C2 ZINC000329257529 967587885 /nfs/dbraw/zinc/58/78/85/967587885.db2.gz DYMOHAIPTXMVFJ-DLBZAZTESA-N 2 2 373.545 2.970 10 30 FFEELP C[C@H]([NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000245948161 510223665 /nfs/dbraw/zinc/22/36/65/510223665.db2.gz VYZNPZPMQAFWPC-DZFGPLHGSA-N 2 2 365.477 2.875 10 30 FFEELP C[C@H]([NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000245948161 510223670 /nfs/dbraw/zinc/22/36/70/510223670.db2.gz VYZNPZPMQAFWPC-DZFGPLHGSA-N 2 2 365.477 2.875 10 30 FFEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000177372491 510020293 /nfs/dbraw/zinc/02/02/93/510020293.db2.gz WCFLDUUDBHNGET-HNNXBMFYSA-N 2 2 357.483 2.845 10 30 FFEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000177372491 510020296 /nfs/dbraw/zinc/02/02/96/510020296.db2.gz WCFLDUUDBHNGET-HNNXBMFYSA-N 2 2 357.483 2.845 10 30 FFEELP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000245630045 510049910 /nfs/dbraw/zinc/04/99/10/510049910.db2.gz SBXFZHQMQZMNFS-DUXKGJEZSA-N 2 2 365.477 2.702 10 30 FFEELP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000245630045 510049914 /nfs/dbraw/zinc/04/99/14/510049914.db2.gz SBXFZHQMQZMNFS-DUXKGJEZSA-N 2 2 365.477 2.702 10 30 FFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246279133 510403532 /nfs/dbraw/zinc/40/35/32/510403532.db2.gz AFFYUUACCUYSIL-IEBWSBKVSA-N 2 2 352.438 2.868 10 30 FFEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246279133 510403539 /nfs/dbraw/zinc/40/35/39/510403539.db2.gz AFFYUUACCUYSIL-IEBWSBKVSA-N 2 2 352.438 2.868 10 30 FFEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000178754049 510756861 /nfs/dbraw/zinc/75/68/61/510756861.db2.gz RCCUXMXARIMOCV-INIZCTEOSA-N 2 2 357.845 2.820 10 30 FFEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000178754049 510756867 /nfs/dbraw/zinc/75/68/67/510756867.db2.gz RCCUXMXARIMOCV-INIZCTEOSA-N 2 2 357.845 2.820 10 30 FFEELP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCn2cc[nH+]c2C1 ZINC000329025273 511969032 /nfs/dbraw/zinc/96/90/32/511969032.db2.gz VEHQMSPADOJEJY-KRWDZBQOSA-N 2 2 367.497 2.708 10 30 FFEELP C[N@H+](Cc1cn2ccccc2c1C#N)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129409 250241265 /nfs/dbraw/zinc/24/12/65/250241265.db2.gz WQLIDUCXHQXLFK-UHFFFAOYSA-N 2 2 362.481 2.604 10 30 FFEELP C[N@@H+](Cc1cn2ccccc2c1C#N)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129409 250241268 /nfs/dbraw/zinc/24/12/68/250241268.db2.gz WQLIDUCXHQXLFK-UHFFFAOYSA-N 2 2 362.481 2.604 10 30 FFEELP Cc1ccc(N(CCC#N)C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1C ZINC000248199159 509259146 /nfs/dbraw/zinc/25/91/46/509259146.db2.gz YBRNIJYILWHHLF-FPOVZHCZSA-N 2 2 368.525 2.966 10 30 FFEELP Cc1ccc(N(CCC#N)C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C ZINC000248199159 509259155 /nfs/dbraw/zinc/25/91/55/509259155.db2.gz YBRNIJYILWHHLF-FPOVZHCZSA-N 2 2 368.525 2.966 10 30 FFEELP Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000248199159 509259161 /nfs/dbraw/zinc/25/91/61/509259161.db2.gz YBRNIJYILWHHLF-FPOVZHCZSA-N 2 2 368.525 2.966 10 30 FFEELP Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000248199159 509259167 /nfs/dbraw/zinc/25/91/67/509259167.db2.gz YBRNIJYILWHHLF-FPOVZHCZSA-N 2 2 368.525 2.966 10 30 FFEELP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248661518 509424431 /nfs/dbraw/zinc/42/44/31/509424431.db2.gz XDYQLUAVGFYNPA-ICSRJNTNSA-N 2 2 358.530 2.648 10 30 FFEELP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248661518 509424437 /nfs/dbraw/zinc/42/44/37/509424437.db2.gz XDYQLUAVGFYNPA-ICSRJNTNSA-N 2 2 358.530 2.648 10 30 FFEELP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248661518 509424443 /nfs/dbraw/zinc/42/44/43/509424443.db2.gz XDYQLUAVGFYNPA-ICSRJNTNSA-N 2 2 358.530 2.648 10 30 FFEELP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248661518 509424450 /nfs/dbraw/zinc/42/44/50/509424450.db2.gz XDYQLUAVGFYNPA-ICSRJNTNSA-N 2 2 358.530 2.648 10 30 FFEELP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nnc2n1CCCC2 ZINC000181834891 510618373 /nfs/dbraw/zinc/61/83/73/510618373.db2.gz WXQUHSYDGUUQII-INIZCTEOSA-N 2 2 364.497 2.801 10 30 FFEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H](C3CC[NH+](C)CC3)C1)CCC2 ZINC000328772036 511929662 /nfs/dbraw/zinc/92/96/62/511929662.db2.gz AZBAIWLWANFXNV-ZWKOTPCHSA-N 2 2 359.518 2.647 10 30 FFEELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329799332 512098780 /nfs/dbraw/zinc/09/87/80/512098780.db2.gz IDOWQPAUVYZYEG-PMPSAXMXSA-N 2 2 361.534 2.728 10 30 FFEELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329799332 512098783 /nfs/dbraw/zinc/09/87/83/512098783.db2.gz IDOWQPAUVYZYEG-PMPSAXMXSA-N 2 2 361.534 2.728 10 30 FFEELP