smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](F)(C#N)C1)[NH+]1CCCC1 ZINC001305807390 1069336303 /nfs/dbraw/zinc/33/63/03/1069336303.db2.gz ANCSPSKVAIANAH-BEFAXECRSA-N 1 0 450.360 3.352 20 30 JGEDRO CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC#N)CC1)[NH+]1CCCC1 ZINC001305845315 1069394904 /nfs/dbraw/zinc/39/49/04/1069394904.db2.gz BXFMMJWRYZSWAA-LJQANCHMSA-N 1 0 455.632 3.274 20 30 JGEDRO CN(Cc1cccc(C#N)c1)c1nnc(CNC(=O)c2cccs2)n1CC1([NH+](C)C)CCC1 ZINC001298329217 1064204658 /nfs/dbraw/zinc/20/46/58/1064204658.db2.gz TYTFHXKYPBGXBW-UHFFFAOYSA-N 1 0 463.611 3.262 20 30 JGEDRO CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001298578608 1064352759 /nfs/dbraw/zinc/35/27/59/1064352759.db2.gz OZUYQQMXGUGQDC-NRFANRHFSA-N 1 0 452.603 3.466 20 30 JGEDRO CN(CCCc1ccccn1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001298655340 1064430745 /nfs/dbraw/zinc/43/07/45/1064430745.db2.gz RWJLKPQUMSOGDG-UHFFFAOYSA-N 1 0 472.641 3.307 20 30 JGEDRO CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001298727797 1064537409 /nfs/dbraw/zinc/53/74/09/1064537409.db2.gz IRUQNRATGHZOTN-UHFFFAOYSA-N 1 0 479.673 3.486 20 30 JGEDRO CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001299017247 1064802632 /nfs/dbraw/zinc/80/26/32/1064802632.db2.gz VKEGMXWKQBBPJU-GJZUVCINSA-N 1 0 463.630 3.290 20 30 JGEDRO COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[NH+](CC(C)C)CC2)CCCC1 ZINC001299819015 1065012932 /nfs/dbraw/zinc/01/29/32/1065012932.db2.gz IDKNASSZYABEAM-UHFFFAOYSA-N 1 0 452.603 3.466 20 30 JGEDRO COc1cc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc(OC)c1OC ZINC001299846328 1065046795 /nfs/dbraw/zinc/04/67/95/1065046795.db2.gz HYPADFPTSKACRG-NRFANRHFSA-N 1 0 498.628 3.068 20 30 JGEDRO COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2([NH+](C)C)CCCC2)cc(OC)c1OC ZINC001299850269 1065053771 /nfs/dbraw/zinc/05/37/71/1065053771.db2.gz GXBVHLWIKTZTEH-QHCPKHFHSA-N 1 0 472.565 3.287 20 30 JGEDRO COc1cc(OC)cc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H](C)C[NH+]2CCOCC2)c1 ZINC001299937133 1065204369 /nfs/dbraw/zinc/20/43/69/1065204369.db2.gz DSBXIZUBFWBHKW-LJQANCHMSA-N 1 0 468.602 3.061 20 30 JGEDRO COc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(CC#N)CC2)[NH+]2CCCC2)cc1 ZINC001299987058 1065289080 /nfs/dbraw/zinc/28/90/80/1065289080.db2.gz OWDVAQFNMYQYOL-QHCPKHFHSA-N 1 0 479.629 3.392 20 30 JGEDRO COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC001299997950 1065309085 /nfs/dbraw/zinc/30/90/85/1065309085.db2.gz UUYAESTWKSNSIU-OALUTQOASA-N 1 0 456.591 3.059 20 30 JGEDRO COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC001299998120 1065309784 /nfs/dbraw/zinc/30/97/84/1065309784.db2.gz ZCYWRCYTMHCBKQ-QYZOEREBSA-N 1 0 470.618 3.446 20 30 JGEDRO Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001492360525 1065422236 /nfs/dbraw/zinc/42/22/36/1065422236.db2.gz VPRUQDRHZSDRQE-ROKPMTFOSA-N 1 0 456.566 3.107 20 30 JGEDRO Cc1ccc(SCc2nnc(N3CC[C@](F)(C#N)C3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001492460199 1065508585 /nfs/dbraw/zinc/50/85/85/1065508585.db2.gz REEDELLGXHNMRV-OFVILXPXSA-N 1 0 499.660 3.264 20 30 JGEDRO Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001492468240 1065516507 /nfs/dbraw/zinc/51/65/07/1065516507.db2.gz YMDGAMJXLIHSEM-NHCUHLMSSA-N 1 0 470.643 3.109 20 30 JGEDRO C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001300823975 1065551660 /nfs/dbraw/zinc/55/16/60/1065551660.db2.gz MDHUDQYMKDNIKO-UHFFFAOYSA-N 1 0 491.409 3.274 20 30 JGEDRO C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001300830765 1065563032 /nfs/dbraw/zinc/56/30/32/1065563032.db2.gz KUNAVWROUDNKAW-QGZVFWFLSA-N 1 0 456.429 3.365 20 30 JGEDRO C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001300832551 1065565991 /nfs/dbraw/zinc/56/59/91/1065565991.db2.gz NKRXWWFZCIFVCB-UHFFFAOYSA-N 1 0 491.390 3.311 20 30 JGEDRO C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC001300834890 1065570456 /nfs/dbraw/zinc/57/04/56/1065570456.db2.gz YLLJSJIWKMNJPD-SFHVURJKSA-N 1 0 464.408 3.409 20 30 JGEDRO CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC[C@H]1C ZINC001300839611 1065575709 /nfs/dbraw/zinc/57/57/09/1065575709.db2.gz SBMNSTYFUITORW-MDAIXWLXSA-N 1 0 482.629 3.089 20 30 JGEDRO C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001300840261 1065577626 /nfs/dbraw/zinc/57/76/26/1065577626.db2.gz WMBHLNGWXSVJBW-UHFFFAOYSA-N 1 0 474.451 3.244 20 30 JGEDRO C=C(Br)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001300844424 1065584807 /nfs/dbraw/zinc/58/48/07/1065584807.db2.gz MCCVZJGLZRRDIR-IBGZPJMESA-N 1 0 474.451 3.162 20 30 JGEDRO C=C(Br)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001300852838 1065598474 /nfs/dbraw/zinc/59/84/74/1065598474.db2.gz DUAYOTIVRMBHKP-GOSISDBHSA-N 1 0 465.465 3.055 20 30 JGEDRO C=C(Br)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001300862799 1065623410 /nfs/dbraw/zinc/62/34/10/1065623410.db2.gz FVNPDBHIKVZKGJ-YESZJQIVSA-N 1 0 483.455 3.488 20 30 JGEDRO C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001300873472 1065649404 /nfs/dbraw/zinc/64/94/04/1065649404.db2.gz JGFYWXGXLNKFEP-DENIHFKCSA-N 1 0 458.651 3.242 20 30 JGEDRO C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001300873586 1065650336 /nfs/dbraw/zinc/65/03/36/1065650336.db2.gz KFNJQFHIAUQACG-IFMALSPDSA-N 1 0 481.645 3.465 20 30 JGEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](C(C)C)CC1 ZINC001300873837 1065650966 /nfs/dbraw/zinc/65/09/66/1065650966.db2.gz HRADXZGFJDYWGZ-XXBNENTESA-N 1 0 455.603 3.474 20 30 JGEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC001300881244 1065666405 /nfs/dbraw/zinc/66/64/05/1065666405.db2.gz MZHLJANUTJKZPO-XPNTWCBSSA-N 1 0 454.619 3.177 20 30 JGEDRO C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@@H+]1CCC[C@@H]1C ZINC001300901489 1065697363 /nfs/dbraw/zinc/69/73/63/1065697363.db2.gz OPJSRILIYUCTPB-SFHVURJKSA-N 1 0 459.664 3.433 20 30 JGEDRO C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C1CC1)[NH+](C)C ZINC001300901717 1065698326 /nfs/dbraw/zinc/69/83/26/1065698326.db2.gz RDNVCFZBKYDILW-IBGZPJMESA-N 1 0 459.664 3.289 20 30 JGEDRO C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001300905160 1065705233 /nfs/dbraw/zinc/70/52/33/1065705233.db2.gz LAGNTBPNJKBABJ-NRFANRHFSA-N 1 0 474.675 3.472 20 30 JGEDRO C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CC=CCC1 ZINC001300917964 1065718632 /nfs/dbraw/zinc/71/86/32/1065718632.db2.gz QXQIQZJEDRDQAD-FQEVSTJZSA-N 1 0 460.623 3.251 20 30 JGEDRO C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001300930940 1065730939 /nfs/dbraw/zinc/73/09/39/1065730939.db2.gz RWIQDFVCZWEMRB-KRWDZBQOSA-N 1 0 463.424 3.171 20 30 JGEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001300930889 1065730961 /nfs/dbraw/zinc/73/09/61/1065730961.db2.gz OQTFXIQIOHEJKF-SFHVURJKSA-N 1 0 462.440 3.217 20 30 JGEDRO C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001300952458 1065755755 /nfs/dbraw/zinc/75/57/55/1065755755.db2.gz WIWUGEGIWUNCFF-VQTJNVASSA-N 1 0 460.623 3.227 20 30 JGEDRO C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001300952451 1065755816 /nfs/dbraw/zinc/75/58/16/1065755816.db2.gz WIWUGEGIWUNCFF-PMACEKPBSA-N 1 0 460.623 3.227 20 30 JGEDRO C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001300973026 1065782232 /nfs/dbraw/zinc/78/22/32/1065782232.db2.gz ULQFIABMPRTUSR-WIYYLYMNSA-N 1 0 473.021 3.127 20 30 JGEDRO C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001301012733 1065845028 /nfs/dbraw/zinc/84/50/28/1065845028.db2.gz GYFGTDGZQBJSQD-LJQANCHMSA-N 1 0 451.962 3.389 20 30 JGEDRO C=C(Cl)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001301045974 1065892741 /nfs/dbraw/zinc/89/27/41/1065892741.db2.gz ZVCLFYMAWZVGQV-QZTJIDSGSA-N 1 0 467.014 3.014 20 30 JGEDRO C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001301047242 1065894343 /nfs/dbraw/zinc/89/43/43/1065894343.db2.gz DBSGMCRSGQNLFS-UHFFFAOYSA-N 1 0 466.033 3.270 20 30 JGEDRO C=C1CCN(c2nnc(COc3ccccc3OC)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001301095935 1065943077 /nfs/dbraw/zinc/94/30/77/1065943077.db2.gz RMYYGKMGBQUUTQ-UHFFFAOYSA-N 1 0 468.646 3.296 20 30 JGEDRO C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC001301105907 1065952319 /nfs/dbraw/zinc/95/23/19/1065952319.db2.gz NXLWBXNZTXRDBZ-UYAOXDASSA-N 1 0 476.647 3.111 20 30 JGEDRO C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001301119510 1065962380 /nfs/dbraw/zinc/96/23/80/1065962380.db2.gz LRYMLEIXUMBUEU-HXUWFJFHSA-N 1 0 455.603 3.212 20 30 JGEDRO C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001301119509 1065962516 /nfs/dbraw/zinc/96/25/16/1065962516.db2.gz LRYMLEIXUMBUEU-FQEVSTJZSA-N 1 0 455.603 3.212 20 30 JGEDRO C=CC1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)CCOC)CC1 ZINC001301123208 1065963808 /nfs/dbraw/zinc/96/38/08/1065963808.db2.gz AGBWOMAORBNZJV-NRFANRHFSA-N 1 0 476.666 3.373 20 30 JGEDRO C=CCC(C)(C)Cn1c(N2CC[NH+](CC3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001301159313 1065995156 /nfs/dbraw/zinc/99/51/56/1065995156.db2.gz YHWOKPUURLSMIY-VWLOTQADSA-N 1 0 461.651 3.081 20 30 JGEDRO C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001301176236 1066009025 /nfs/dbraw/zinc/00/90/25/1066009025.db2.gz TZEVIHITPSBOJL-HSZRJFAPSA-N 1 0 482.629 3.061 20 30 JGEDRO C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC001301197917 1066023830 /nfs/dbraw/zinc/02/38/30/1066023830.db2.gz SBCOKNXEZKYYFF-UHFFFAOYSA-N 1 0 450.631 3.452 20 30 JGEDRO C=CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001301197183 1066023856 /nfs/dbraw/zinc/02/38/56/1066023856.db2.gz GOBWXILAIJGSPL-YPAWHYETSA-N 1 0 472.678 3.296 20 30 JGEDRO C=CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001301203167 1066027581 /nfs/dbraw/zinc/02/75/81/1066027581.db2.gz UQLNZKVSKCLKFB-HXUWFJFHSA-N 1 0 470.593 3.268 20 30 JGEDRO COC[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001301239208 1066056551 /nfs/dbraw/zinc/05/65/51/1066056551.db2.gz UBOSSNGGKOWOFX-LADGPHEKSA-N 1 0 493.656 3.012 20 30 JGEDRO COC[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001301239207 1066056772 /nfs/dbraw/zinc/05/67/72/1066056772.db2.gz UBOSSNGGKOWOFX-ISKFKSNPSA-N 1 0 493.656 3.012 20 30 JGEDRO C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001301248270 1066065501 /nfs/dbraw/zinc/06/55/01/1066065501.db2.gz CVUVMCLMEGMZNP-UHFFFAOYSA-N 1 0 453.566 3.123 20 30 JGEDRO COC[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001301250567 1066067718 /nfs/dbraw/zinc/06/77/18/1066067718.db2.gz FHKKDBQQEBATJM-HSZRJFAPSA-N 1 0 496.656 3.217 20 30 JGEDRO C=CCCOCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001301261490 1066076273 /nfs/dbraw/zinc/07/62/73/1066076273.db2.gz GNPNGTLWQFPARW-AQNXPRMDSA-N 1 0 462.639 3.172 20 30 JGEDRO C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001301261516 1066076443 /nfs/dbraw/zinc/07/64/43/1066076443.db2.gz HBVBGYYFVZLNPM-YTFSRNRJSA-N 1 0 475.678 3.338 20 30 JGEDRO C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001301268108 1066083246 /nfs/dbraw/zinc/08/32/46/1066083246.db2.gz HDQRVHCEACDWDN-UHFFFAOYSA-N 1 0 452.603 3.414 20 30 JGEDRO C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001301271566 1066084429 /nfs/dbraw/zinc/08/44/29/1066084429.db2.gz WTCRYMRKCTULIU-UHFFFAOYSA-N 1 0 463.424 3.313 20 30 JGEDRO COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001301282220 1066090590 /nfs/dbraw/zinc/09/05/90/1066090590.db2.gz LEKOEPULFBTVTO-JOCHJYFZSA-N 1 0 452.603 3.323 20 30 JGEDRO COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[NH+]2CCCCC2)C1 ZINC001301283087 1066091036 /nfs/dbraw/zinc/09/10/36/1066091036.db2.gz NTABRCMBRPPNBW-QFIPXVFZSA-N 1 0 452.603 3.468 20 30 JGEDRO C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001301286183 1066094640 /nfs/dbraw/zinc/09/46/40/1066094640.db2.gz BQRHWBOPWZDKIP-IBGZPJMESA-N 1 0 459.664 3.373 20 30 JGEDRO C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001301297178 1066102188 /nfs/dbraw/zinc/10/21/88/1066102188.db2.gz MXCHTEGFTIVYPK-FCHUYYIVSA-N 1 0 457.644 3.105 20 30 JGEDRO C=CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCC[C@H]1C)C1CC1 ZINC001301326617 1066120552 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ZINC001304924172 1067966639 /nfs/dbraw/zinc/96/66/39/1067966639.db2.gz HVKJZAJMLLBAKE-RZUBCFFCSA-N 1 0 463.630 3.277 20 30 JGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)C1 ZINC001304924707 1067967745 /nfs/dbraw/zinc/96/77/45/1067967745.db2.gz KBFVPRNYIUDARO-OYRHEFFESA-N 1 0 493.656 3.046 20 30 JGEDRO CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304926981 1067971731 /nfs/dbraw/zinc/97/17/31/1067971731.db2.gz VNHVHCKGRWVTKC-NHCUHLMSSA-N 1 0 450.635 3.363 20 30 JGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1 ZINC001304929280 1067977444 /nfs/dbraw/zinc/97/74/44/1067977444.db2.gz UHAHYOWLCYECRI-MZKRTTBSSA-N 1 0 484.670 3.056 20 30 JGEDRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 ZINC001303468138 1067987721 /nfs/dbraw/zinc/98/77/21/1067987721.db2.gz UOYXSWKMJUXYKC-FPOVZHCZSA-N 1 0 452.603 3.368 20 30 JGEDRO CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001304979420 1068017868 /nfs/dbraw/zinc/01/78/68/1068017868.db2.gz YXVGGWMZAUUWAS-VHFRWLAGSA-N 1 0 479.673 3.219 20 30 JGEDRO C[C@H]1CCC[C@@](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)([NH+](C)C)C1 ZINC001304984466 1068027023 /nfs/dbraw/zinc/02/70/23/1068027023.db2.gz REFUWKJOCHYHQP-HFZDXXHNSA-N 1 0 465.646 3.096 20 30 JGEDRO C[C@@H]1CCC[C@](Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)([NH+](C)C)C1 ZINC001304984437 1068027093 /nfs/dbraw/zinc/02/70/93/1068027093.db2.gz QSZGYZPGURODNW-NRJQMVOHSA-N 1 0 490.450 3.285 20 30 JGEDRO C[C@@H]1CCC[C@](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)([NH+](C)C)C1 ZINC001304984788 1068027866 /nfs/dbraw/zinc/02/78/66/1068027866.db2.gz SMQLHTQQGKTGRE-KOSHJBKYSA-N 1 0 450.591 3.176 20 30 JGEDRO C[C@H]1CCC[C@@](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)([NH+](C)C)C1 ZINC001304984789 1068028077 /nfs/dbraw/zinc/02/80/77/1068028077.db2.gz SMQLHTQQGKTGRE-MHECFPHRSA-N 1 0 450.591 3.176 20 30 JGEDRO C[C@@H]1CCC[C@](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)([NH+](C)C)C1 ZINC001304986745 1068029472 /nfs/dbraw/zinc/02/94/72/1068029472.db2.gz LYZMGJLPZXTMTD-WPWBMXPQSA-N 1 0 484.670 3.199 20 30 JGEDRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(N3CCN(c4nccnc4C#N)C[C@H]3C)nnc2C(C)(C)C)C1 ZINC001305019390 1068065495 /nfs/dbraw/zinc/06/54/95/1068065495.db2.gz MDKBQHADNHHIIQ-WOJBJXKFSA-N 1 0 479.677 3.463 20 30 JGEDRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCOCC2)C1 ZINC001305020643 1068068988 /nfs/dbraw/zinc/06/89/88/1068068988.db2.gz RZRRUCYVDUFWGY-HXUWFJFHSA-N 1 0 452.603 3.466 20 30 JGEDRO CC(C)OCCn1c(Cc2ccccn2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001303565635 1068088050 /nfs/dbraw/zinc/08/80/50/1068088050.db2.gz XMDFIMYOSXRVLO-UHFFFAOYSA-N 1 0 459.598 3.273 20 30 JGEDRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001303569600 1068092120 /nfs/dbraw/zinc/09/21/20/1068092120.db2.gz DBPVQRBQUWXREC-UNMCSNQZSA-N 1 0 452.603 3.179 20 30 JGEDRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 ZINC001303570042 1068092757 /nfs/dbraw/zinc/09/27/57/1068092757.db2.gz NGODZWFEFKDHIB-UHFFFAOYSA-N 1 0 493.656 3.012 20 30 JGEDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001305060199 1068124470 /nfs/dbraw/zinc/12/44/70/1068124470.db2.gz PQJFZRMHYOQGRM-KRWDZBQOSA-N 1 0 489.546 3.196 20 30 JGEDRO C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC001305067356 1068140282 /nfs/dbraw/zinc/14/02/82/1068140282.db2.gz RSWMEIGWLHDYDX-FQEVSTJZSA-N 1 0 452.603 3.464 20 30 JGEDRO C[C@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CC#N)[NH+]1CCC(C)CC1 ZINC001305068716 1068142819 /nfs/dbraw/zinc/14/28/19/1068142819.db2.gz YAKORQMQQOIBFN-LEWJYISDSA-N 1 0 465.650 3.311 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001303627370 1068157172 /nfs/dbraw/zinc/15/71/72/1068157172.db2.gz IYYVZWIKACDUKO-FXAWDEMLSA-N 1 0 458.010 3.280 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001303636163 1068164497 /nfs/dbraw/zinc/16/44/97/1068164497.db2.gz LQPNGFWTRYATJO-BEFAXECRSA-N 1 0 453.522 3.186 20 30 JGEDRO CC(C)[NH+](CCCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)C ZINC001305121953 1068205019 /nfs/dbraw/zinc/20/50/19/1068205019.db2.gz LUURNRDHOUZMDY-IBGZPJMESA-N 1 0 451.623 3.041 20 30 JGEDRO C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2ncccc2C#N)CC1)[NH+](C)C ZINC001303694981 1068237936 /nfs/dbraw/zinc/23/79/36/1068237936.db2.gz QSVIHPMVAZEIGB-QGZVFWFLSA-N 1 0 450.978 3.142 20 30 JGEDRO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2([NH+](C)C)CCC2)CCN1CC(F)(F)F ZINC001305144322 1068243998 /nfs/dbraw/zinc/24/39/98/1068243998.db2.gz VYHKSJSXCZCNBX-KRWDZBQOSA-N 1 0 461.536 3.374 20 30 JGEDRO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305147003 1068248805 /nfs/dbraw/zinc/24/88/05/1068248805.db2.gz BJGJIDCUEYLRDW-GHTZIAJQSA-N 1 0 465.602 3.262 20 30 JGEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[N@H+](C)C1CC1 ZINC001305150388 1068255933 /nfs/dbraw/zinc/25/59/33/1068255933.db2.gz KKIKAGJJJFHKAJ-DLBZAZTESA-N 1 0 461.536 3.372 20 30 JGEDRO C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC#N)C[NH+]1CCCCC1 ZINC001303751476 1068311981 /nfs/dbraw/zinc/31/19/81/1068311981.db2.gz KQZBQGOHXPFHIK-MOPGFXCFSA-N 1 0 458.632 3.209 20 30 JGEDRO C[C@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CC#N)C[NH+]1CCCCC1 ZINC001303752615 1068313677 /nfs/dbraw/zinc/31/36/77/1068313677.db2.gz IIZCPWHOLKSIFH-SFTDATJTSA-N 1 0 465.650 3.312 20 30 JGEDRO C[C@@H]1C[NH+](CCCn2c(COc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)C[C@@H](C)O1 ZINC001305220481 1068358675 /nfs/dbraw/zinc/35/86/75/1068358675.db2.gz FZWXTCAAARHIJO-RTBURBONSA-N 1 0 456.566 3.235 20 30 JGEDRO C[C@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001305229266 1068373939 /nfs/dbraw/zinc/37/39/39/1068373939.db2.gz QQLDXEFUKURHOF-PZJWPPBQSA-N 1 0 452.603 3.322 20 30 JGEDRO CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001305324723 1068545274 /nfs/dbraw/zinc/54/52/74/1068545274.db2.gz SXFAKTFLXJCWGG-KDYSTLNUSA-N 1 0 490.656 3.411 20 30 JGEDRO C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001303916473 1068568289 /nfs/dbraw/zinc/56/82/89/1068568289.db2.gz IZZNSSBPNZNRPI-RBUKOAKNSA-N 1 0 457.598 3.322 20 30 JGEDRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303931745 1068589840 /nfs/dbraw/zinc/58/98/40/1068589840.db2.gz IQGOEVJUVUTJII-RTBURBONSA-N 1 0 456.566 3.408 20 30 JGEDRO C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(F)cc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001303940204 1068600125 /nfs/dbraw/zinc/60/01/25/1068600125.db2.gz VKMXBWKNHYLJQR-BWKNWUBXSA-N 1 0 470.593 3.363 20 30 JGEDRO C[C@]1(C#N)CCCN(c2nnc(CCc3ccccc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001303939959 1068600229 /nfs/dbraw/zinc/60/02/29/1068600229.db2.gz PWTJQOXOJPXQFM-ZEQKJWHPSA-N 1 0 450.631 3.430 20 30 JGEDRO CC[C@@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001305506579 1068743300 /nfs/dbraw/zinc/74/33/00/1068743300.db2.gz UKUHYPGJLYJTEC-OAQYLSRUSA-N 1 0 465.646 3.227 20 30 JGEDRO CC[C@@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC[NH+]1CCSCC1 ZINC001305521542 1068773912 /nfs/dbraw/zinc/77/39/12/1068773912.db2.gz JBTSDZGRUCQPOO-GOSISDBHSA-N 1 0 457.623 3.178 20 30 JGEDRO CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001305530854 1068786401 /nfs/dbraw/zinc/78/64/01/1068786401.db2.gz FGOROYKEEMPZKF-HBMCJLEFSA-N 1 0 465.650 3.433 20 30 JGEDRO CC[C@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC[NH+]1CCSCC1 ZINC001305540007 1068808697 /nfs/dbraw/zinc/80/86/97/1068808697.db2.gz HMMCLUHJZHWMRD-FQEVSTJZSA-N 1 0 453.660 3.034 20 30 JGEDRO CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001305556018 1068833910 /nfs/dbraw/zinc/83/39/10/1068833910.db2.gz KZTPYDKFGVODPB-NKKJXINNSA-N 1 0 466.630 3.478 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001305608448 1068878650 /nfs/dbraw/zinc/87/86/50/1068878650.db2.gz UIJOGUMWYXFNBV-FQEVSTJZSA-N 1 0 469.597 3.140 20 30 JGEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001305608446 1068878792 /nfs/dbraw/zinc/87/87/92/1068878792.db2.gz UIDHUVVJOGOPJW-GOSISDBHSA-N 1 0 480.020 3.317 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C#N)C1 ZINC001305609655 1068882441 /nfs/dbraw/zinc/88/24/41/1068882441.db2.gz ULPHXRBZTLKWTD-GOEBONIOSA-N 1 0 465.371 3.306 20 30 JGEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001305609922 1068883181 /nfs/dbraw/zinc/88/31/81/1068883181.db2.gz FQHYHRVNQLKKKH-HXUWFJFHSA-N 1 0 474.613 3.277 20 30 JGEDRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001305621304 1068907658 /nfs/dbraw/zinc/90/76/58/1068907658.db2.gz VWPOQXWXNPGYAY-UXHICEINSA-N 1 0 491.619 3.115 20 30 JGEDRO 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CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001298965656 1064754145 /nfs/dbraw/zinc/75/41/45/1064754145.db2.gz QINHJQMJFJZGFD-XMSQKQJNSA-N 1 0 451.619 3.146 20 30 JGEDRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001299017240 1064802012 /nfs/dbraw/zinc/80/20/12/1064802012.db2.gz VKEGMXWKQBBPJU-ATIYNZHBSA-N 1 0 463.630 3.290 20 30 JGEDRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001299075665 1064880713 /nfs/dbraw/zinc/88/07/13/1064880713.db2.gz VQMPVQXORBPJLO-DENIHFKCSA-N 1 0 463.630 3.290 20 30 JGEDRO CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001299075667 1064880923 /nfs/dbraw/zinc/88/09/23/1064880923.db2.gz VQMPVQXORBPJLO-KNQAVFIVSA-N 1 0 463.630 3.290 20 30 JGEDRO COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2([NH+](C)C)CCCC2)cc(OC)c1OC ZINC001299850253 1065054060 /nfs/dbraw/zinc/05/40/60/1065054060.db2.gz GXBVHLWIKTZTEH-HSZRJFAPSA-N 1 0 472.565 3.287 20 30 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C=C(Br)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001300834189 1065568507 /nfs/dbraw/zinc/56/85/07/1065568507.db2.gz LFQBZKINECASBP-MRXNPFEDSA-N 1 0 481.826 3.451 20 30 JGEDRO C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001300844007 1065583279 /nfs/dbraw/zinc/58/32/79/1065583279.db2.gz MEGYSJRLUNYVIX-SFHVURJKSA-N 1 0 468.440 3.162 20 30 JGEDRO C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001300862075 1065620501 /nfs/dbraw/zinc/62/05/01/1065620501.db2.gz QHNCTLQUPIAMPD-IRXDYDNUSA-N 1 0 462.392 3.447 20 30 JGEDRO C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001300863729 1065625712 /nfs/dbraw/zinc/62/57/12/1065625712.db2.gz SWLQHHSCQATYSX-OAQYLSRUSA-N 1 0 489.462 3.292 20 30 JGEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001300872266 1065646945 /nfs/dbraw/zinc/64/69/45/1065646945.db2.gz AJPFZKFLUAHIJW-RPWUZVMVSA-N 1 0 464.614 3.345 20 30 JGEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001300873474 1065649468 /nfs/dbraw/zinc/64/94/68/1065649468.db2.gz JGFYWXGXLNKFEP-KNQAVFIVSA-N 1 0 458.651 3.242 20 30 JGEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](C(C)C)CC1 ZINC001300873835 1065650897 /nfs/dbraw/zinc/65/08/97/1065650897.db2.gz HRADXZGFJDYWGZ-CVDCTZTESA-N 1 0 455.603 3.474 20 30 JGEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001300883953 1065672104 /nfs/dbraw/zinc/67/21/04/1065672104.db2.gz GICGGDPMZQLDNV-LSQMVHIFSA-N 1 0 488.721 3.079 20 30 JGEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001300886294 1065673646 /nfs/dbraw/zinc/67/36/46/1065673646.db2.gz WXYREHLGBKLBQA-QSHYMPABSA-N 1 0 486.705 3.227 20 30 JGEDRO C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001300894841 1065686160 /nfs/dbraw/zinc/68/61/60/1065686160.db2.gz IIGJUNDJIVDNEG-UHFFFAOYSA-N 1 0 458.651 3.199 20 30 JGEDRO C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001300912647 1065713084 /nfs/dbraw/zinc/71/30/84/1065713084.db2.gz HWWZOZBTZWUKEE-YADHBBJMSA-N 1 0 452.603 3.477 20 30 JGEDRO C=C(C)CN(CC)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1ncnn1C(C)(C)C ZINC001300921172 1065720680 /nfs/dbraw/zinc/72/06/80/1065720680.db2.gz NXRGBRPWXYEMMP-UHFFFAOYSA-N 1 0 491.688 3.440 20 30 JGEDRO C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001300950913 1065754790 /nfs/dbraw/zinc/75/47/90/1065754790.db2.gz RCUFGDCXKNMLMN-NNWRFLSQSA-N 1 0 457.644 3.246 20 30 JGEDRO COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001300957767 1065763758 /nfs/dbraw/zinc/76/37/58/1065763758.db2.gz IUYGHIXCXZGCJD-OAQYLSRUSA-N 1 0 465.646 3.094 20 30 JGEDRO COC[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001300961584 1065770335 /nfs/dbraw/zinc/77/03/35/1065770335.db2.gz MGOUFFNTHFRCGZ-PCCBWWKXSA-N 1 0 466.630 3.425 20 30 JGEDRO C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001300963579 1065771918 /nfs/dbraw/zinc/77/19/18/1065771918.db2.gz WTXOQTRMTIJGIZ-NRFANRHFSA-N 1 0 454.619 3.047 20 30 JGEDRO C=C(C)COCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001300989982 1065805115 /nfs/dbraw/zinc/80/51/15/1065805115.db2.gz AOOZADJDSNUFOO-UHFFFAOYSA-N 1 0 451.575 3.107 20 30 JGEDRO C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001300997664 1065815670 /nfs/dbraw/zinc/81/56/70/1065815670.db2.gz XWJODQBZVJBJKN-FCHUYYIVSA-N 1 0 458.651 3.084 20 30 JGEDRO C=C(C)COCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001301001291 1065825483 /nfs/dbraw/zinc/82/54/83/1065825483.db2.gz GTZUDCNTTJTHPV-FGZHOGPDSA-N 1 0 461.651 3.090 20 30 JGEDRO C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001301024674 1065861786 /nfs/dbraw/zinc/86/17/86/1065861786.db2.gz PPXVNTMWRBXWEQ-UHFFFAOYSA-N 1 0 450.978 3.367 20 30 JGEDRO C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001301063560 1065914656 /nfs/dbraw/zinc/91/46/56/1065914656.db2.gz DGCHHNZGGHJJCV-UHFFFAOYSA-N 1 0 487.048 3.253 20 30 JGEDRO C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001301063528 1065914907 /nfs/dbraw/zinc/91/49/07/1065914907.db2.gz CGIOSLOEGLBLMD-HXUWFJFHSA-N 1 0 486.064 3.044 20 30 JGEDRO C=C1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001301063957 1065914997 /nfs/dbraw/zinc/91/49/97/1065914997.db2.gz LKEIOOXDTGNXTP-UHFFFAOYSA-N 1 0 486.064 3.044 20 30 JGEDRO C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001301074989 1065924294 /nfs/dbraw/zinc/92/42/94/1065924294.db2.gz POUQOXQFVXTQRU-QFIPXVFZSA-N 1 0 452.603 3.053 20 30 JGEDRO C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](CC)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001301106146 1065952882 /nfs/dbraw/zinc/95/28/82/1065952882.db2.gz QPCPDJGKCPTSCE-WMZHIEFXSA-N 1 0 486.686 3.128 20 30 JGEDRO C=CC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001301124123 1065965088 /nfs/dbraw/zinc/96/50/88/1065965088.db2.gz GFBRLRQHVKFVNF-FPOVZHCZSA-N 1 0 474.650 3.473 20 30 JGEDRO C=CCC(C)(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001301144014 1065981858 /nfs/dbraw/zinc/98/18/58/1065981858.db2.gz SPUJVULDBMGHJR-UHFFFAOYSA-N 1 0 486.686 3.472 20 30 JGEDRO C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001301207480 1066031529 /nfs/dbraw/zinc/03/15/29/1066031529.db2.gz WRGHSFGOVPWRFT-SFHVURJKSA-N 1 0 462.440 3.218 20 30 JGEDRO C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001301209058 1066032829 /nfs/dbraw/zinc/03/28/29/1066032829.db2.gz KIBJQHOPVYQOLH-FQEVSTJZSA-N 1 0 454.619 3.145 20 30 JGEDRO COC[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001301239212 1066056990 /nfs/dbraw/zinc/05/69/90/1066056990.db2.gz UBOSSNGGKOWOFX-VWNXMTODSA-N 1 0 493.656 3.012 20 30 JGEDRO 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499.063 3.248 20 30 JGEDRO C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001301402600 1066183615 /nfs/dbraw/zinc/18/36/15/1066183615.db2.gz ODVUNXVDJCBFBK-GGAORHGYSA-N 1 0 471.671 3.147 20 30 JGEDRO C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001301403043 1066184251 /nfs/dbraw/zinc/18/42/51/1066184251.db2.gz SGKOALLLKAFPDL-OAQYLSRUSA-N 1 0 454.619 3.463 20 30 JGEDRO C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001301428958 1066225490 /nfs/dbraw/zinc/22/54/90/1066225490.db2.gz KDSPVLYJDMEVBY-UHFFFAOYSA-N 1 0 462.602 3.131 20 30 JGEDRO C[C@@H](C#N)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001301952874 1066254540 /nfs/dbraw/zinc/25/45/40/1066254540.db2.gz OIXFVFXPYUYALC-JTHBVZDNSA-N 1 0 477.657 3.287 20 30 JGEDRO C[C@@H](C#N)CN(C)c1nnc(-c2cc(F)ccc2Br)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001301956561 1066260982 /nfs/dbraw/zinc/26/09/82/1066260982.db2.gz KPWJJNDAYNXHOC-INIZCTEOSA-N 1 0 492.441 3.469 20 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Cc1cc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@@H](C)C#N)cc(N2CCCC2)[nH+]1 ZINC001304213764 1067257068 /nfs/dbraw/zinc/25/70/68/1067257068.db2.gz PINBVUPEEJKXHX-SFHVURJKSA-N 1 0 493.637 3.296 20 30 JGEDRO CSC1(Cn2c(N3CCC[C@@](C)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC[NH+](C)CC1 ZINC001302635913 1067265848 /nfs/dbraw/zinc/26/58/48/1067265848.db2.gz WBTPRVUQVTVPES-LADGPHEKSA-N 1 0 476.691 3.276 20 30 JGEDRO CC(C)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001302638511 1067268344 /nfs/dbraw/zinc/26/83/44/1067268344.db2.gz JSHPBQPVBYXLML-NRFANRHFSA-N 1 0 452.603 3.168 20 30 JGEDRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@H](C#N)C2)n1CCC[NH+]1CCCC1 ZINC001304233633 1067272284 /nfs/dbraw/zinc/27/22/84/1067272284.db2.gz WVVFMJLZLFPVIS-OAQYLSRUSA-N 1 0 473.021 3.466 20 30 JGEDRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC001304289410 1067335095 /nfs/dbraw/zinc/33/50/95/1067335095.db2.gz XVUJFLOBZCXICG-BKMJKUGQSA-N 1 0 466.630 3.451 20 30 JGEDRO CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2([NH+](C)C)CCSC2)CCO1 ZINC001302788987 1067380421 /nfs/dbraw/zinc/38/04/21/1067380421.db2.gz NFSMRSXXTKDWIX-XUZZJYLKSA-N 1 0 470.643 3.027 20 30 JGEDRO CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001302802740 1067391516 /nfs/dbraw/zinc/39/15/16/1067391516.db2.gz OAGLJRDSYHOPOS-QFIPXVFZSA-N 1 0 453.660 3.175 20 30 JGEDRO CC(C)C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)[NH+](C)C ZINC001302807970 1067395644 /nfs/dbraw/zinc/39/56/44/1067395644.db2.gz LCXJPXIIUBDIEJ-VXKWHMMOSA-N 1 0 466.590 3.006 20 30 JGEDRO CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1)[NH+](C)C ZINC001302808190 1067396178 /nfs/dbraw/zinc/39/61/78/1067396178.db2.gz NEZHDQJFAHIQQY-HSZRJFAPSA-N 1 0 463.630 3.242 20 30 JGEDRO CC(C)C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1)[NH+](C)C ZINC001302822152 1067410927 /nfs/dbraw/zinc/41/09/27/1067410927.db2.gz ZTFMETGCXHAOBQ-FGZHOGPDSA-N 1 0 466.634 3.089 20 30 JGEDRO CC(C)C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1)[NH+](C)C ZINC001302824854 1067414217 /nfs/dbraw/zinc/41/42/17/1067414217.db2.gz VBKIVUQVAZELGX-AQNXPRMDSA-N 1 0 475.638 3.055 20 30 JGEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCOC(C)(C)C ZINC001302903307 1067488440 /nfs/dbraw/zinc/48/84/40/1067488440.db2.gz ZPJQFTFBPZBCLA-IBGZPJMESA-N 1 0 452.603 3.321 20 30 JGEDRO CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001302954736 1067526825 /nfs/dbraw/zinc/52/68/25/1067526825.db2.gz RJDIMVFTYZKHGQ-FGZHOGPDSA-N 1 0 479.677 3.365 20 30 JGEDRO CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001302955111 1067527271 /nfs/dbraw/zinc/52/72/71/1067527271.db2.gz YEOCUDZDLBOQQH-NRFANRHFSA-N 1 0 450.635 3.334 20 30 JGEDRO N#C[C@]1(F)CCN(c2nnc(-c3ccccc3Br)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001302979214 1067544632 /nfs/dbraw/zinc/54/46/32/1067544632.db2.gz OQQCVNUKXKMQSY-VGOFRKELSA-N 1 0 491.409 3.386 20 30 JGEDRO N#C[C@]1(F)CCN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+]2CC=CCC2)C1 ZINC001302980346 1067545525 /nfs/dbraw/zinc/54/55/25/1067545525.db2.gz PAXWKWWAUIZPCB-GOSISDBHSA-N 1 0 451.369 3.473 20 30 JGEDRO N#CC1CCN(c2nnc(-c3ccc(Br)cc3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001303000945 1067557909 /nfs/dbraw/zinc/55/79/09/1067557909.db2.gz VQZSWOMEPDXEIP-UHFFFAOYSA-N 1 0 473.419 3.294 20 30 JGEDRO N#C[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CCC[NH+]2CCCCC2)CCO1 ZINC001303001651 1067558560 /nfs/dbraw/zinc/55/85/60/1067558560.db2.gz GEHOTSXUTFKUQB-QGZVFWFLSA-N 1 0 477.382 3.451 20 30 JGEDRO CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001303066065 1067601474 /nfs/dbraw/zinc/60/14/74/1067601474.db2.gz TVXZQJLWEWYVEH-REWPJTCUSA-N 1 0 463.630 3.442 20 30 JGEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(-n4cnnn4)cc3)nnc2N(C)[C@H](C)CC#N)CC1 ZINC001303089417 1067625075 /nfs/dbraw/zinc/62/50/75/1067625075.db2.gz AFTRQRHPITWCAK-HXUWFJFHSA-N 1 0 476.633 3.417 20 30 JGEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)CC1 ZINC001303089623 1067625876 /nfs/dbraw/zinc/62/58/76/1067625876.db2.gz DGIMSPMIJADTAV-UHFFFAOYSA-N 1 0 454.644 3.144 20 30 JGEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001303090543 1067627079 /nfs/dbraw/zinc/62/70/79/1067627079.db2.gz WXZWDAXALJJCFM-QHCPKHFHSA-N 1 0 463.630 3.277 20 30 JGEDRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)CC1 ZINC001303182587 1067714391 /nfs/dbraw/zinc/71/43/91/1067714391.db2.gz BXRMACVQYZPMKP-QFIPXVFZSA-N 1 0 452.603 3.038 20 30 JGEDRO Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cs1 ZINC001304648006 1067715824 /nfs/dbraw/zinc/71/58/24/1067715824.db2.gz HNJHYUBBTVSECY-MBSDFSHPSA-N 1 0 479.654 3.235 20 30 JGEDRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(C)C)C2)C1 ZINC001303204123 1067740138 /nfs/dbraw/zinc/74/01/38/1067740138.db2.gz GBSKSLIZCRTBGL-GOTSBHOMSA-N 1 0 452.603 3.035 20 30 JGEDRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC(C)(C)OC(C)(C)C2)C1 ZINC001303204508 1067741080 /nfs/dbraw/zinc/74/10/80/1067741080.db2.gz NIMSNEIOZCBKDI-HSZRJFAPSA-N 1 0 496.656 3.479 20 30 JGEDRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@](C)(C#N)C2)C1 ZINC001303208718 1067746595 /nfs/dbraw/zinc/74/65/95/1067746595.db2.gz XWIWLFANOQOOKQ-BVAGGSTKSA-N 1 0 477.613 3.216 20 30 JGEDRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@](C)(C#N)C2)C1 ZINC001303208720 1067746632 /nfs/dbraw/zinc/74/66/32/1067746632.db2.gz XWIWLFANOQOOKQ-OZXSUGGESA-N 1 0 477.613 3.216 20 30 JGEDRO Cc1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC001304691650 1067764839 /nfs/dbraw/zinc/76/48/39/1067764839.db2.gz OWWNTOILVJIZLT-NRFANRHFSA-N 1 0 465.627 3.455 20 30 JGEDRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001303256710 1067783842 /nfs/dbraw/zinc/78/38/42/1067783842.db2.gz PHDLRRDHQBEGFA-UHFFFAOYSA-N 1 0 484.670 3.198 20 30 JGEDRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 ZINC001303263844 1067791016 /nfs/dbraw/zinc/79/10/16/1067791016.db2.gz HBQFVNFLOBWGIT-PKTZIBPZSA-N 1 0 463.630 3.290 20 30 JGEDRO CC(C)[N@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001303268394 1067796532 /nfs/dbraw/zinc/79/65/32/1067796532.db2.gz HCSMPQJIHLPOJK-QHCPKHFHSA-N 1 0 458.010 3.332 20 30 JGEDRO Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCC[N@H+]3CCCC[C@@H]3C)CC2)c1C#N ZINC001304732203 1067805333 /nfs/dbraw/zinc/80/53/33/1067805333.db2.gz YXGFSWOGJMDQRI-IBGZPJMESA-N 1 0 467.666 3.080 20 30 JGEDRO CC(C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001303278747 1067807682 /nfs/dbraw/zinc/80/76/82/1067807682.db2.gz OSGCMIBBMGVHQQ-GOSISDBHSA-N 1 0 479.551 3.142 20 30 JGEDRO Cc1cc(C)n([C@@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCOCC[NH+](C)C)C2)n1 ZINC001304736032 1067809701 /nfs/dbraw/zinc/80/97/01/1067809701.db2.gz WTZWHTAAQNRISK-HSZRJFAPSA-N 1 0 462.602 3.050 20 30 JGEDRO CC(C)[NH+](CCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C ZINC001303291461 1067816004 /nfs/dbraw/zinc/81/60/04/1067816004.db2.gz PNXRCJZKEFAPOV-UHFFFAOYSA-N 1 0 473.629 3.442 20 30 JGEDRO CC(C)[NH+](CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1)C(C)C ZINC001303291691 1067816671 /nfs/dbraw/zinc/81/66/71/1067816671.db2.gz VPYGDZQZVABXOY-UHFFFAOYSA-N 1 0 475.645 3.386 20 30 JGEDRO CC(C)[NH+](CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1)C(C)C ZINC001303292415 1067817854 /nfs/dbraw/zinc/81/78/54/1067817854.db2.gz ZIFXKISMNIULEG-HSZRJFAPSA-N 1 0 490.653 3.189 20 30 JGEDRO Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CC2([NH+]3CCSCC3)CCCCC2)n1 ZINC001304741617 1067818458 /nfs/dbraw/zinc/81/84/58/1067818458.db2.gz SQOHDCBOXHCZFY-LJQANCHMSA-N 1 0 470.691 3.487 20 30 JGEDRO CC(C)[NH+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2ccco2)CC1)C(C)C ZINC001303295539 1067819726 /nfs/dbraw/zinc/81/97/26/1067819726.db2.gz DTVPHMAFOIXFLE-UHFFFAOYSA-N 1 0 475.597 3.491 20 30 JGEDRO CC(C)[NH+]1CCC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001303302828 1067827672 /nfs/dbraw/zinc/82/76/72/1067827672.db2.gz NWHCANZRBJYHHU-UHFFFAOYSA-N 1 0 477.613 3.094 20 30 JGEDRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3Cl)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001303307342 1067835020 /nfs/dbraw/zinc/83/50/20/1067835020.db2.gz BMXAAQMOGXWQRV-LNVKXUELSA-N 1 0 484.004 3.045 20 30 JGEDRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC2CCOCC2)CC1 ZINC001303312068 1067841506 /nfs/dbraw/zinc/84/15/06/1067841506.db2.gz XMOFXXZGXCGLRH-UHFFFAOYSA-N 1 0 452.603 3.180 20 30 JGEDRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001303312110 1067842228 /nfs/dbraw/zinc/84/22/28/1067842228.db2.gz ZEXSDCLFUFRDOE-NRFANRHFSA-N 1 0 491.562 3.000 20 30 JGEDRO CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001303354484 1067881736 /nfs/dbraw/zinc/88/17/36/1067881736.db2.gz MIEUXRANVVYZEX-ICSRJNTNSA-N 1 0 455.632 3.301 20 30 JGEDRO 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JGEDRO CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@]2([NH+](C)C)CCSC2)CCOC1 ZINC001303481945 1068003912 /nfs/dbraw/zinc/00/39/12/1068003912.db2.gz OYRAIISJPDZOEF-RPBOFIJWSA-N 1 0 484.670 3.264 20 30 JGEDRO C[C@@H]1CCC[C@@](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)([NH+](C)C)C1 ZINC001304984051 1068026405 /nfs/dbraw/zinc/02/64/05/1068026405.db2.gz OOIRDMDKKAIMNI-KBMIEXCESA-N 1 0 484.670 3.341 20 30 JGEDRO C[C@@H]1CCCC[N@@H+]1CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 ZINC001305013091 1068053450 /nfs/dbraw/zinc/05/34/50/1068053450.db2.gz FAICGOZIUJBJNB-WIYYLYMNSA-N 1 0 453.547 3.237 20 30 JGEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 ZINC001305014644 1068056282 /nfs/dbraw/zinc/05/62/82/1068056282.db2.gz UFYPUEQEROQKMX-OAQYLSRUSA-N 1 0 493.656 3.298 20 30 JGEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 ZINC001305014642 1068056348 /nfs/dbraw/zinc/05/63/48/1068056348.db2.gz UFYPUEQEROQKMX-NRFANRHFSA-N 1 0 493.656 3.298 20 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JGEDRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CC[C@](F)(C#N)C2)C[C@@H](C)O1 ZINC001305113447 1068189929 /nfs/dbraw/zinc/18/99/29/1068189929.db2.gz ULEUIPAWBYWKIH-FHAGJXEFSA-N 1 0 454.594 3.393 20 30 JGEDRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@](F)(C#N)C2)C[C@H](C)O1 ZINC001305113721 1068190726 /nfs/dbraw/zinc/19/07/26/1068190726.db2.gz WCOOLZXTHGQBSU-SRGWNRLKSA-N 1 0 476.547 3.477 20 30 JGEDRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCn2cccn2)C[C@@H](C)O1 ZINC001305115346 1068194115 /nfs/dbraw/zinc/19/41/15/1068194115.db2.gz XDWHXLKRKOZBOL-WOJBJXKFSA-N 1 0 462.602 3.037 20 30 JGEDRO C[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)[NH+]1CCCCC1 ZINC001303665189 1068198354 /nfs/dbraw/zinc/19/83/54/1068198354.db2.gz SHYMDULADIVSQX-VAMGGRTRSA-N 1 0 472.659 3.339 20 30 JGEDRO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC001303692043 1068232929 /nfs/dbraw/zinc/23/29/29/1068232929.db2.gz OLZINGFFMKJQQL-YLJYHZDGSA-N 1 0 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1 0 459.639 3.473 20 30 JGEDRO C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC#N)CC1)[N@H+](C)C1CC1 ZINC001303725488 1068277580 /nfs/dbraw/zinc/27/75/80/1068277580.db2.gz VXZONYMGNNSSNI-NQIIRXRSSA-N 1 0 487.649 3.199 20 30 JGEDRO C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1)[NH+](C)C ZINC001303738057 1068297118 /nfs/dbraw/zinc/29/71/18/1068297118.db2.gz RUVJPOWIUHUGKR-KRWDZBQOSA-N 1 0 468.993 3.370 20 30 JGEDRO C[C@@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N)C[NH+]1CCCCC1 ZINC001303753231 1068314615 /nfs/dbraw/zinc/31/46/15/1068314615.db2.gz MGCMPIWWONDRKE-QHAWAJNXSA-N 1 0 489.665 3.447 20 30 JGEDRO C[C@@H]1C[N@@H+](CCCn2c(COc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)C[C@H](C)O1 ZINC001305220477 1068358265 /nfs/dbraw/zinc/35/82/65/1068358265.db2.gz FZWXTCAAARHIJO-KDURUIRLSA-N 1 0 456.566 3.235 20 30 JGEDRO C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001305221016 1068359048 /nfs/dbraw/zinc/35/90/48/1068359048.db2.gz IFSJOHXPGUHNSR-VQTJNVASSA-N 1 0 470.643 3.171 20 30 JGEDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CC(F)(F)Br ZINC001305222786 1068363877 /nfs/dbraw/zinc/36/38/77/1068363877.db2.gz MUKSIFVUIAXAOM-CZUORRHYSA-N 1 0 451.319 3.477 20 30 JGEDRO C[C@@H]([NH2+]C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1)c1ccccc1 ZINC001303804361 1068405032 /nfs/dbraw/zinc/40/50/32/1068405032.db2.gz SWUDWBGXBSIQKN-CTNGQTDRSA-N 1 0 484.670 3.440 20 30 JGEDRO C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)[NH+](C)C ZINC001303896928 1068536919 /nfs/dbraw/zinc/53/69/19/1068536919.db2.gz DMRSNNFAMWKLGF-MOPGFXCFSA-N 1 0 478.576 3.101 20 30 JGEDRO CC[C@H](C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)OC ZINC001305351864 1068597468 /nfs/dbraw/zinc/59/74/68/1068597468.db2.gz OCOJGWQJRNKHAD-GBXCKJPGSA-N 1 0 476.629 3.324 20 30 JGEDRO C[C@]1(C#N)CCCN(c2nnc(CCc3ccccc3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001303939957 1068599571 /nfs/dbraw/zinc/59/95/71/1068599571.db2.gz PWTJQOXOJPXQFM-JYFHCDHNSA-N 1 0 450.631 3.430 20 30 JGEDRO CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001305556021 1068833956 /nfs/dbraw/zinc/83/39/56/1068833956.db2.gz KZTPYDKFGVODPB-ZTCOLXNVSA-N 1 0 466.630 3.478 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C#N)C1 ZINC001305604496 1068870074 /nfs/dbraw/zinc/87/00/74/1068870074.db2.gz FYMRCEFZACNWBE-GOEBONIOSA-N 1 0 465.371 3.306 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001305613626 1068889945 /nfs/dbraw/zinc/88/99/45/1068889945.db2.gz GQIJPVCXIIDERI-VJBMBRPKSA-N 1 0 452.603 3.352 20 30 JGEDRO CC[C@@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001305617861 1068900568 /nfs/dbraw/zinc/90/05/68/1068900568.db2.gz CZDPLZSZDHPIKA-OAQYLSRUSA-N 1 0 499.623 3.052 20 30 JGEDRO CC[C@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCNC(=O)C1N=CC=CC1=O)c1ccccc1 ZINC001305670345 1069016072 /nfs/dbraw/zinc/01/60/72/1069016072.db2.gz KAYGPKRNBSNTKH-NCEYNEKKSA-N 1 0 491.640 3.267 20 30 JGEDRO CCC(CC)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1)[NH+](C)C ZINC001305703710 1069087806 /nfs/dbraw/zinc/08/78/06/1069087806.db2.gz JEDFAORTLXOTKT-WMZOPIPTSA-N 1 0 464.412 3.131 20 30 JGEDRO CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1)[NH+](C)C ZINC001305703660 1069087815 /nfs/dbraw/zinc/08/78/15/1069087815.db2.gz IOMNSYHNBZPAEB-GOTSBHOMSA-N 1 0 451.619 3.288 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1)[NH+](C)C ZINC001305706978 1069097382 /nfs/dbraw/zinc/09/73/82/1069097382.db2.gz WYWVIYKVYNNDHJ-HSZRJFAPSA-N 1 0 473.629 3.300 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC)C(=O)C1)[NH+]1CCOCC1 ZINC001305709159 1069103265 /nfs/dbraw/zinc/10/32/65/1069103265.db2.gz OBBVNSAFKHNRSF-XMMPIXPASA-N 1 0 493.656 3.012 20 30 JGEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(C)=O)C1)[NH+](C)C ZINC001305710917 1069109426 /nfs/dbraw/zinc/10/94/26/1069109426.db2.gz XUBOPZLVCBCUPA-GOTSBHOMSA-N 1 0 451.619 3.288 20 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JGEDRO CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)[C@@H](C)C1 ZINC001301725170 1066639023 /nfs/dbraw/zinc/63/90/23/1066639023.db2.gz NAYPOITURMZZJH-YADARESESA-N 1 0 463.630 3.384 20 30 JGEDRO CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)[C@H](C)C1 ZINC001301725168 1066639051 /nfs/dbraw/zinc/63/90/51/1066639051.db2.gz NAYPOITURMZZJH-NTKDMRAZSA-N 1 0 463.630 3.384 20 30 JGEDRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 ZINC001302190688 1066672071 /nfs/dbraw/zinc/67/20/71/1066672071.db2.gz ADOSXRHANCGPJP-QFIPXVFZSA-N 1 0 452.603 3.180 20 30 JGEDRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2CCOCC2)CC1 ZINC001302191150 1066673374 /nfs/dbraw/zinc/67/33/74/1066673374.db2.gz SBKJDOQHIQIDMZ-UHFFFAOYSA-N 1 0 479.673 3.486 20 30 JGEDRO COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001302195719 1066685158 /nfs/dbraw/zinc/68/51/58/1066685158.db2.gz HMTALUKKXWFDCQ-PKTZIBPZSA-N 1 0 466.630 3.426 20 30 JGEDRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)CC1 ZINC001302202037 1066697298 /nfs/dbraw/zinc/69/72/98/1066697298.db2.gz BJIOHSLCNRKDGY-NRFANRHFSA-N 1 0 452.603 3.180 20 30 JGEDRO CC(C)(C)[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)CC1 ZINC001302203084 1066699158 /nfs/dbraw/zinc/69/91/58/1066699158.db2.gz NTKKQJHCHVBHCM-HXUWFJFHSA-N 1 0 472.684 3.498 20 30 JGEDRO COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001302219828 1066722943 /nfs/dbraw/zinc/72/29/43/1066722943.db2.gz HEYDDAWJWJXEJX-QHCPKHFHSA-N 1 0 466.630 3.428 20 30 JGEDRO CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001302310569 1066904095 /nfs/dbraw/zinc/90/40/95/1066904095.db2.gz LVQJCNTYFIBTCK-QFIPXVFZSA-N 1 0 482.629 3.092 20 30 JGEDRO CC(C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC001302336426 1066935988 /nfs/dbraw/zinc/93/59/88/1066935988.db2.gz LJPUHQLZYRYVJP-UHFFFAOYSA-N 1 0 470.643 3.095 20 30 JGEDRO COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001301939197 1066984013 /nfs/dbraw/zinc/98/40/13/1066984013.db2.gz POFGAXUSBKXANR-NFBKMPQASA-N 1 0 493.656 3.059 20 30 JGEDRO COCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001301939205 1066984092 /nfs/dbraw/zinc/98/40/92/1066984092.db2.gz POFGAXUSBKXANR-OFNKIYASSA-N 1 0 493.656 3.059 20 30 JGEDRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001302431045 1067018115 /nfs/dbraw/zinc/01/81/15/1067018115.db2.gz GNBDLPKAFDIGQA-RBBKRZOGSA-N 1 0 463.630 3.290 20 30 JGEDRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCCC2)C1 ZINC001302432339 1067021586 /nfs/dbraw/zinc/02/15/86/1067021586.db2.gz VUDMPCRGSYFQCZ-QFIPXVFZSA-N 1 0 463.630 3.291 20 30 JGEDRO CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001302441638 1067038296 /nfs/dbraw/zinc/03/82/96/1067038296.db2.gz BMYJAPKIBBKLLU-UHFFFAOYSA-N 1 0 463.630 3.434 20 30 JGEDRO Cc1nc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)sc1C ZINC001304050242 1067092284 /nfs/dbraw/zinc/09/22/84/1067092284.db2.gz OITRHZNHTJYHBF-UHFFFAOYSA-N 1 0 492.653 3.122 20 30 JGEDRO Cc1ncsc1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCC[NH+]1CCOCC1 ZINC001304082403 1067129500 /nfs/dbraw/zinc/12/95/00/1067129500.db2.gz CTNGHCPSAMLDTA-UHFFFAOYSA-N 1 0 451.600 3.331 20 30 JGEDRO CS[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001302543388 1067176003 /nfs/dbraw/zinc/17/60/03/1067176003.db2.gz YTPIUYOJWFHCGF-IBGZPJMESA-N 1 0 490.637 3.261 20 30 JGEDRO CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001302565716 1067204833 /nfs/dbraw/zinc/20/48/33/1067204833.db2.gz GVFRLNQRSNLMSE-RBUKOAKNSA-N 1 0 470.643 3.170 20 30 JGEDRO CS[C@@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1)C(C)(C)C ZINC001302593723 1067231688 /nfs/dbraw/zinc/23/16/88/1067231688.db2.gz XKJZAIZHLDHCSR-PKTZIBPZSA-N 1 0 497.713 3.149 20 30 JGEDRO CSC1(Cn2c(-c3ccc(Br)cc3)nnc2N2CCO[C@H](C#N)C2)CC[NH+](C)CC1 ZINC001302599853 1067236350 /nfs/dbraw/zinc/23/63/50/1067236350.db2.gz ZQGBHNUDJDGOPO-GOSISDBHSA-N 1 0 491.459 3.264 20 30 JGEDRO CC(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302680914 1067306893 /nfs/dbraw/zinc/30/68/93/1067306893.db2.gz RYFWVMSNQVWKLF-UHFFFAOYSA-N 1 0 482.652 3.012 20 30 JGEDRO Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001304291132 1067338621 /nfs/dbraw/zinc/33/86/21/1067338621.db2.gz KLTZRZAKMWADOR-NRFANRHFSA-N 1 0 452.603 3.467 20 30 JGEDRO Cc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2C[C@H](CC(C)C)[NH+](C)C)o1 ZINC001304325171 1067373883 /nfs/dbraw/zinc/37/38/83/1067373883.db2.gz KZWWNPAVVFWBDY-ICSRJNTNSA-N 1 0 477.617 3.200 20 30 JGEDRO CC(C)C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)[NH+](C)C ZINC001302807969 1067395695 /nfs/dbraw/zinc/39/56/95/1067395695.db2.gz LCXJPXIIUBDIEJ-FGZHOGPDSA-N 1 0 466.590 3.006 20 30 JGEDRO CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1)[NH+](C)C ZINC001302808922 1067397216 /nfs/dbraw/zinc/39/72/16/1067397216.db2.gz SHWIJTAZSHLNOB-OPJGWUQDSA-N 1 0 452.603 3.177 20 30 JGEDRO CC(C)C[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1)[NH+](C)C ZINC001302812697 1067400035 /nfs/dbraw/zinc/40/00/35/1067400035.db2.gz SBWADCKOMQCHJO-SJORKVTESA-N 1 0 461.408 3.413 20 30 JGEDRO CC(C)C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1)[NH+](C)C ZINC001302824853 1067414271 /nfs/dbraw/zinc/41/42/71/1067414271.db2.gz VBKIVUQVAZELGX-AABGKKOBSA-N 1 0 475.638 3.055 20 30 JGEDRO Cc1ccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1C ZINC001304406799 1067471054 /nfs/dbraw/zinc/47/10/54/1067471054.db2.gz FWMUBAPMZMXMHE-QFIPXVFZSA-N 1 0 466.630 3.451 20 30 JGEDRO CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001302948275 1067521983 /nfs/dbraw/zinc/52/19/83/1067521983.db2.gz BOKOILKLXQKAIY-NRFANRHFSA-N 1 0 464.643 3.434 20 30 JGEDRO CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001302954665 1067526447 /nfs/dbraw/zinc/52/64/47/1067526447.db2.gz PLDDHKLZXWFQRA-VXKWHMMOSA-N 1 0 487.656 3.374 20 30 JGEDRO CC(C)Cc1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1Cc1ccc(C#N)o1 ZINC001302966422 1067536902 /nfs/dbraw/zinc/53/69/02/1067536902.db2.gz RKQPEWXAEJKGJT-UHFFFAOYSA-N 1 0 461.614 3.244 20 30 JGEDRO N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001302979360 1067544766 /nfs/dbraw/zinc/54/47/66/1067544766.db2.gz IKKXYFSDKZIWAC-IBGZPJMESA-N 1 0 465.396 3.198 20 30 JGEDRO N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Br)s3)n2CC[N@H+]2CC=CCC2)C1 ZINC001302980347 1067545376 /nfs/dbraw/zinc/54/53/76/1067545376.db2.gz PAXWKWWAUIZPCB-SFHVURJKSA-N 1 0 451.369 3.473 20 30 JGEDRO N#Cc1ccc(-c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CCSC(F)(F)F)cc1 ZINC001302988780 1067549743 /nfs/dbraw/zinc/54/97/43/1067549743.db2.gz ABAVNLBURSNLCI-UHFFFAOYSA-N 1 0 466.533 3.371 20 30 JGEDRO N#Cc1ccc(C[N@H+]2CCCN(c3nnc([C@H]4CCC(=O)N4)n3CCSC(F)(F)F)CC2)cc1 ZINC001302991713 1067552946 /nfs/dbraw/zinc/55/29/46/1067552946.db2.gz LREFVBOPAALSIY-GOSISDBHSA-N 1 0 493.559 3.066 20 30 JGEDRO Cc1cccc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCNC(=O)C3N=CC=CC3=O)CC2)c1 ZINC001304499344 1067574535 /nfs/dbraw/zinc/57/45/35/1067574535.db2.gz WOUANSOQHFZFPG-OCOZRVBESA-N 1 0 491.640 3.024 20 30 JGEDRO CC(C)CCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@@H+]1CCC[C@H]1C ZINC001303065322 1067600735 /nfs/dbraw/zinc/60/07/35/1067600735.db2.gz AYNWNFUCZIKSSI-HXUWFJFHSA-N 1 0 476.629 3.442 20 30 JGEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001303090085 1067626226 /nfs/dbraw/zinc/62/62/26/1067626226.db2.gz MUMYUBIRZWPCEO-QHCPKHFHSA-N 1 0 463.630 3.277 20 30 JGEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001303172501 1067706094 /nfs/dbraw/zinc/70/60/94/1067706094.db2.gz HVSBJEDPJVJGNL-FUHWJXTLSA-N 1 0 476.423 3.132 20 30 JGEDRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)CC1 ZINC001303182586 1067714537 /nfs/dbraw/zinc/71/45/37/1067714537.db2.gz BXRMACVQYZPMKP-JOCHJYFZSA-N 1 0 452.603 3.038 20 30 JGEDRO CC(C)C[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)CC1 ZINC001303198758 1067734631 /nfs/dbraw/zinc/73/46/31/1067734631.db2.gz KOAWGFNNGQGYSG-OAQYLSRUSA-N 1 0 472.684 3.355 20 30 JGEDRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(CCCc3ccccc3)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001303203162 1067739117 /nfs/dbraw/zinc/73/91/17/1067739117.db2.gz CAMQRQCONNCXIK-WIOPSUGQSA-N 1 0 454.594 3.252 20 30 JGEDRO CC(C)COCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001303233563 1067766371 /nfs/dbraw/zinc/76/63/71/1067766371.db2.gz PDNPDOORMCABAK-QHCPKHFHSA-N 1 0 452.603 3.180 20 30 JGEDRO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCCC2)CC1 ZINC001303252552 1067778487 /nfs/dbraw/zinc/77/84/87/1067778487.db2.gz UOTDIBIOXJTBNO-UHFFFAOYSA-N 1 0 463.630 3.386 20 30 JGEDRO CC(C)[N@H+](C)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 ZINC001303261572 1067788064 /nfs/dbraw/zinc/78/80/64/1067788064.db2.gz NLJUBEUIHZOYEP-QHCPKHFHSA-N 1 0 452.603 3.464 20 30 JGEDRO CC(C)[N@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001303262254 1067789357 /nfs/dbraw/zinc/78/93/57/1067789357.db2.gz COZPQLTULFNVTM-UHFFFAOYSA-N 1 0 462.577 3.408 20 30 JGEDRO CC(C)[N@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001303262906 1067790238 /nfs/dbraw/zinc/79/02/38/1067790238.db2.gz IFZGFBJZMHNVCD-UHFFFAOYSA-N 1 0 453.635 3.094 20 30 JGEDRO CC(C)[N@H+](C)CCCn1c(CCc2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001303268657 1067796804 /nfs/dbraw/zinc/79/68/04/1067796804.db2.gz RSDZGPUIHVQVIM-UHFFFAOYSA-N 1 0 472.641 3.387 20 30 JGEDRO Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCC[N@H+]3CCCC[C@H]3C)CC2)c1C#N ZINC001304732204 1067805313 /nfs/dbraw/zinc/80/53/13/1067805313.db2.gz YXGFSWOGJMDQRI-LJQANCHMSA-N 1 0 467.666 3.080 20 30 JGEDRO CC(C)[N@H+](C)CCn1c(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nnc1C(C)(C)C ZINC001303279037 1067808492 /nfs/dbraw/zinc/80/84/92/1067808492.db2.gz ZMILYGTWGMIQFF-UHFFFAOYSA-N 1 0 466.590 3.362 20 30 JGEDRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2CCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC001304734984 1067809118 /nfs/dbraw/zinc/80/91/18/1067809118.db2.gz HQINMVXWIJORIH-JOCHJYFZSA-N 1 0 475.645 3.090 20 30 JGEDRO CC(C)[NH+](CCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C ZINC001303292311 1067817509 /nfs/dbraw/zinc/81/75/09/1067817509.db2.gz DGWZBLYSNNIWHU-JOCHJYFZSA-N 1 0 466.634 3.232 20 30 JGEDRO CC(C)[NH+](CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](c2ccccc2)[C@H](C#N)C1)C(C)C ZINC001303292505 1067817927 /nfs/dbraw/zinc/81/79/27/1067817927.db2.gz HKJWYAGXVUNAJT-PKTZIBPZSA-N 1 0 463.630 3.376 20 30 JGEDRO CC(C)[NH+]1CCC(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCOC(F)F)CC2)CC1 ZINC001303296496 1067820091 /nfs/dbraw/zinc/82/00/91/1067820091.db2.gz ACDMCDYTINMBDV-UHFFFAOYSA-N 1 0 487.599 3.441 20 30 JGEDRO CC(C)[NH+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)C(C)C ZINC001303298305 1067822985 /nfs/dbraw/zinc/82/29/85/1067822985.db2.gz KSIUNZUSJFEFHJ-OAQYLSRUSA-N 1 0 469.609 3.238 20 30 JGEDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001303305161 1067832684 /nfs/dbraw/zinc/83/26/84/1067832684.db2.gz NRUULZZPRIJPND-NQIIRXRSSA-N 1 0 458.994 3.360 20 30 JGEDRO Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2Cc2cccc(OCC[NH+](C)C)c2)n1 ZINC001304753086 1067833665 /nfs/dbraw/zinc/83/36/65/1067833665.db2.gz YUXXLXJMHPYWGW-UHFFFAOYSA-N 1 0 476.629 3.259 20 30 JGEDRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCOC(F)(F)F)C2)CC1 ZINC001303316640 1067843786 /nfs/dbraw/zinc/84/37/86/1067843786.db2.gz HJRHOJRZTVTQPC-NRFANRHFSA-N 1 0 491.562 3.348 20 30 JGEDRO CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001303329933 1067858644 /nfs/dbraw/zinc/85/86/44/1067858644.db2.gz LNENBQXDANYWKH-FQEVSTJZSA-N 1 0 451.600 3.289 20 30 JGEDRO CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001303330866 1067860701 /nfs/dbraw/zinc/86/07/01/1067860701.db2.gz GOUSCJBGEQKRON-HXUWFJFHSA-N 1 0 451.600 3.289 20 30 JGEDRO CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001303401924 1067929602 /nfs/dbraw/zinc/92/96/02/1067929602.db2.gz BCRMEIBFNSLLMX-FQEVSTJZSA-N 1 0 496.635 3.018 20 30 JGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)C1 ZINC001304924171 1067966628 /nfs/dbraw/zinc/96/66/28/1067966628.db2.gz HVKJZAJMLLBAKE-KCZVDYSFSA-N 1 0 463.630 3.277 20 30 JGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)C1 ZINC001304924551 1067967342 /nfs/dbraw/zinc/96/73/42/1067967342.db2.gz IIMJMXQBAPEAAO-OOICKAIWSA-N 1 0 476.691 3.068 20 30 JGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)C1 ZINC001304924706 1067967716 /nfs/dbraw/zinc/96/77/16/1067967716.db2.gz KBFVPRNYIUDARO-NHCUHLMSSA-N 1 0 493.656 3.046 20 30 JGEDRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCCOCC2)C1 ZINC001304926205 1067969920 /nfs/dbraw/zinc/96/99/20/1067969920.db2.gz FVUXXKZZLJQDSC-SFTDATJTSA-N 1 0 452.603 3.323 20 30 JGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCCOCC2)C1 ZINC001304926197 1067969940 /nfs/dbraw/zinc/96/99/40/1067969940.db2.gz FVUXXKZZLJQDSC-NHCUHLMSSA-N 1 0 452.603 3.323 20 30 JGEDRO CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926983 1067971869 /nfs/dbraw/zinc/97/18/69/1067971869.db2.gz VNHVHCKGRWVTKC-OYRHEFFESA-N 1 0 450.635 3.363 20 30 JGEDRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 ZINC001303464183 1067983526 /nfs/dbraw/zinc/98/35/26/1067983526.db2.gz AVNIIOQMWWYEID-JOCHJYFZSA-N 1 0 487.599 3.140 20 30 JGEDRO CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCOC1 ZINC001303474484 1067993724 /nfs/dbraw/zinc/99/37/24/1067993724.db2.gz BEQHXPIBTTZQRQ-ZBLYBZFDSA-N 1 0 496.656 3.062 20 30 JGEDRO CC(C)O[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CCOC1 ZINC001303481938 1068003367 /nfs/dbraw/zinc/00/33/67/1068003367.db2.gz OYRAIISJPDZOEF-DQEYMECFSA-N 1 0 484.670 3.264 20 30 JGEDRO CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001304979417 1068017655 /nfs/dbraw/zinc/01/76/55/1068017655.db2.gz YXVGGWMZAUUWAS-LOYIFYEOSA-N 1 0 479.673 3.219 20 30 JGEDRO CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304983177 1068024731 /nfs/dbraw/zinc/02/47/31/1068024731.db2.gz JDTHUABZGXUYDL-UMEGOILYSA-N 1 0 465.650 3.289 20 30 JGEDRO C[C@@H]1CCC[C@@](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)([NH+](C)C)C1 ZINC001304984468 1068027315 /nfs/dbraw/zinc/02/73/15/1068027315.db2.gz REFUWKJOCHYHQP-QFQXNSOFSA-N 1 0 465.646 3.096 20 30 JGEDRO C[C@H]1CCCC[N@@H+]1CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 ZINC001305013083 1068053392 /nfs/dbraw/zinc/05/33/92/1068053392.db2.gz FAICGOZIUJBJNB-GHTZIAJQSA-N 1 0 453.547 3.237 20 30 JGEDRO C[C@H]1CCCC[N@@H+]1CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001305015275 1068057258 /nfs/dbraw/zinc/05/72/58/1068057258.db2.gz CJZPVKNCVIQRJW-UNMCSNQZSA-N 1 0 479.629 3.085 20 30 JGEDRO C[C@H]1CCCC[N@@H+]1CCCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1 ZINC001305019080 1068064932 /nfs/dbraw/zinc/06/49/32/1068064932.db2.gz JUVFOXVXQNHRIL-FQEVSTJZSA-N 1 0 462.602 3.363 20 30 JGEDRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305022659 1068074128 /nfs/dbraw/zinc/07/41/28/1068074128.db2.gz CMQMSFOTFNWFSS-UAFMIMERSA-N 1 0 456.566 3.406 20 30 JGEDRO C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305025765 1068081811 /nfs/dbraw/zinc/08/18/11/1068081811.db2.gz UMTSVLVFLCMWFQ-MBOZVWFJSA-N 1 0 460.529 3.396 20 30 JGEDRO C[C@H]1CCC[N@H+](CCCCn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C#N)c2)C1 ZINC001305042027 1068097318 /nfs/dbraw/zinc/09/73/18/1068097318.db2.gz HGMPEWBAUQPSJE-NRFANRHFSA-N 1 0 463.630 3.421 20 30 JGEDRO CC(C)SCCn1c(-c2cnccn2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001303577265 1068101793 /nfs/dbraw/zinc/10/17/93/1068101793.db2.gz KOVPOQQXIPBAFN-UHFFFAOYSA-N 1 0 462.627 3.461 20 30 JGEDRO C[C@@H]1CCC[N@H+](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CCCO)CC2)C1 ZINC001305046716 1068104555 /nfs/dbraw/zinc/10/45/55/1068104555.db2.gz BVORBURFEUVITE-OAQYLSRUSA-N 1 0 466.630 3.450 20 30 JGEDRO C[C@H]1CCC[N@H+](CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOC(C)(C)C2)C1 ZINC001305053332 1068117585 /nfs/dbraw/zinc/11/75/85/1068117585.db2.gz YHBJZEWTXXECMY-NRFANRHFSA-N 1 0 465.646 3.096 20 30 JGEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C)[NH+]1CCC(C)CC1 ZINC001305063514 1068132231 /nfs/dbraw/zinc/13/22/31/1068132231.db2.gz POQHRLXANHSHAY-LJQANCHMSA-N 1 0 451.619 3.288 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccc(Cl)c2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001303627373 1068157250 /nfs/dbraw/zinc/15/72/50/1068157250.db2.gz IYYVZWIKACDUKO-YLJYHZDGSA-N 1 0 458.010 3.280 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC[N@H+](C)C1CCCCC1 ZINC001303629211 1068160079 /nfs/dbraw/zinc/16/00/79/1068160079.db2.gz JCWXGHRFMBVKDN-LJQANCHMSA-N 1 0 462.606 3.314 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2)n1CCC[NH+]1CCC(O)CC1 ZINC001303629648 1068160497 /nfs/dbraw/zinc/16/04/97/1068160497.db2.gz OXVJJZMIHNXYSW-INIZCTEOSA-N 1 0 461.408 3.293 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001303636170 1068164416 /nfs/dbraw/zinc/16/44/16/1068164416.db2.gz LQPNGFWTRYATJO-DNVCBOLYSA-N 1 0 453.522 3.186 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCCC1(C)C ZINC001303637015 1068164873 /nfs/dbraw/zinc/16/48/73/1068164873.db2.gz RGJSVZAGCHAVOB-WXVAWEFUSA-N 1 0 479.673 3.322 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCCC1(C)C ZINC001303637014 1068164901 /nfs/dbraw/zinc/16/49/01/1068164901.db2.gz RGJSVZAGCHAVOB-CUNXSJBXSA-N 1 0 479.673 3.322 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001303637542 1068165516 /nfs/dbraw/zinc/16/55/16/1068165516.db2.gz XKWZSNGDIHYHBI-NRFANRHFSA-N 1 0 451.619 3.285 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1OCCC1(C)C ZINC001303637658 1068165842 /nfs/dbraw/zinc/16/58/42/1068165842.db2.gz YHGGZSKTDBIUIY-GGAORHGYSA-N 1 0 465.646 3.196 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001303641004 1068168475 /nfs/dbraw/zinc/16/84/75/1068168475.db2.gz OXIRDVYMFQNFKT-NZQKXSOJSA-N 1 0 473.629 3.493 20 30 JGEDRO CC1CC[NH+](CCCn2c(CNC(=O)c3cccs3)nnc2N2CCC(C#N)CC2)CC1 ZINC001305104094 1068171951 /nfs/dbraw/zinc/17/19/51/1068171951.db2.gz SIQJQMKTQHOZBX-UHFFFAOYSA-N 1 0 455.632 3.132 20 30 JGEDRO C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1F ZINC001305111244 1068182424 /nfs/dbraw/zinc/18/24/24/1068182424.db2.gz AHBLHWJHRXFJLE-IWQHBPENSA-N 1 0 470.593 3.411 20 30 JGEDRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CC[C@](F)(C#N)C2)C[C@H](C)O1 ZINC001305113440 1068190150 /nfs/dbraw/zinc/19/01/50/1068190150.db2.gz ULEUIPAWBYWKIH-DFIYOIEZSA-N 1 0 454.594 3.393 20 30 JGEDRO C[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1)[NH+]1CCCCC1 ZINC001303663738 1068195511 /nfs/dbraw/zinc/19/55/11/1068195511.db2.gz FBBYPXMMDRGJJD-LJQANCHMSA-N 1 0 470.643 3.095 20 30 JGEDRO C[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC001303665507 1068199001 /nfs/dbraw/zinc/19/90/01/1068199001.db2.gz UTQRZXVEFFZTAP-IBGZPJMESA-N 1 0 470.643 3.095 20 30 JGEDRO C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001305123782 1068208719 /nfs/dbraw/zinc/20/87/19/1068208719.db2.gz ZEVIAHQYVMJWFW-PKOBYXMFSA-N 1 0 479.658 3.317 20 30 JGEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)c2nccs2)CC1)[NH+](C)C ZINC001303697918 1068241382 /nfs/dbraw/zinc/24/13/82/1068241382.db2.gz ATPZKRXPPDPBKZ-MSOLQXFVSA-N 1 0 450.616 3.107 20 30 JGEDRO 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C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(COc2ccc(C#N)cc2)n1CCCNC(=O)OC(C)(C)C ZINC001305219870 1068357029 /nfs/dbraw/zinc/35/70/29/1068357029.db2.gz CTTSJXUBNGMKIS-CTNGQTDRSA-N 1 0 495.628 3.316 20 30 JGEDRO C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C[C@H]1C ZINC001305220030 1068357433 /nfs/dbraw/zinc/35/74/33/1068357433.db2.gz DTUIEPHTLWYHNS-NJDAHSKKSA-N 1 0 452.603 3.322 20 30 JGEDRO C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C[C@H]1C ZINC001305220032 1068357644 /nfs/dbraw/zinc/35/76/44/1068357644.db2.gz DTUIEPHTLWYHNS-QHAWAJNXSA-N 1 0 452.603 3.322 20 30 JGEDRO CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305310062 1068518926 /nfs/dbraw/zinc/51/89/26/1068518926.db2.gz FMDAOPJVMSMVKH-ISCCLHIJSA-N 1 0 496.656 3.215 20 30 JGEDRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001303896569 1068535914 /nfs/dbraw/zinc/53/59/14/1068535914.db2.gz DHAIAEQGFCWKDF-MFSJNOQSSA-N 1 0 474.556 3.236 20 30 JGEDRO CC[C@@H](C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)OC ZINC001305351872 1068597419 /nfs/dbraw/zinc/59/74/19/1068597419.db2.gz OCOJGWQJRNKHAD-YKSBVNFPSA-N 1 0 476.629 3.324 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001305613620 1068888998 /nfs/dbraw/zinc/88/89/98/1068888998.db2.gz GQIJPVCXIIDERI-AJSBUHFISA-N 1 0 452.603 3.352 20 30 JGEDRO CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1)[NH+](C)C ZINC001305703661 1069087909 /nfs/dbraw/zinc/08/79/09/1069087909.db2.gz IOMNSYHNBZPAEB-PKTZIBPZSA-N 1 0 451.619 3.288 20 30 JGEDRO CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1)[NH+]1CCOCC1 ZINC001305704917 1069092311 /nfs/dbraw/zinc/09/23/11/1069092311.db2.gz OCEWJFKIAWKDKP-GOTSBHOMSA-N 1 0 452.603 3.179 20 30 JGEDRO CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(OC)C1)[NH+]1CCOCC1 ZINC001305705182 1069092770 /nfs/dbraw/zinc/09/27/70/1069092770.db2.gz OOGXKJCIEOLUGP-QFIPXVFZSA-N 1 0 452.603 3.179 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)[C@H](C)CC#N)[NH+]1CCOCC1 ZINC001305709789 1069105519 /nfs/dbraw/zinc/10/55/19/1069105519.db2.gz GBIJMJYZMGHUKZ-XMSQKQJNSA-N 1 0 492.628 3.469 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)C[C@@H](C)C#N)[NH+]1CCOCC1 ZINC001305711876 1069111674 /nfs/dbraw/zinc/11/16/74/1069111674.db2.gz QYPGNOZVMGAVQK-PGRDOPGGSA-N 1 0 492.628 3.327 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C)[NH+](C)C ZINC001305715690 1069120871 /nfs/dbraw/zinc/12/08/71/1069120871.db2.gz NQFWWUYBGQNVOV-NTKDMRAZSA-N 1 0 481.645 3.152 20 30 JGEDRO CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001305756579 1069211102 /nfs/dbraw/zinc/21/11/02/1069211102.db2.gz ZEQPHWXDRDYYHF-IECBHUPTSA-N 1 0 461.630 3.397 20 30 JGEDRO CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001305756575 1069211233 /nfs/dbraw/zinc/21/12/33/1069211233.db2.gz ZEQPHWXDRDYYHF-GLDPYIMESA-N 1 0 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CC(=O)Nc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001165034355 721895605 /nfs/dbraw/zinc/89/56/05/721895605.db2.gz DGWHHXLRWIJPHS-XXBNENTESA-N 1 0 492.605 3.157 20 30 JGEDRO COc1cc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(C#N)c(Cl)n1 ZINC001164978236 722127940 /nfs/dbraw/zinc/12/79/40/722127940.db2.gz NZYVBJOCNONNBB-VQIMIIECSA-N 1 0 463.916 3.282 20 30 JGEDRO CC[C@H](Cn1c([C@H](C)OCCOC)nnc1N1CC[C@](F)(C#N)C1)[N@@H+]1CCc2ccccc2C1 ZINC001305805444 1069332008 /nfs/dbraw/zinc/33/20/08/1069332008.db2.gz BRMSVQVGOJBRNL-SWHJIRTISA-N 1 0 470.593 3.281 20 30 JGEDRO CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1)OC ZINC001305818224 1069352707 /nfs/dbraw/zinc/35/27/07/1069352707.db2.gz MZXHTEKPTMBQBF-XMMPIXPASA-N 1 0 465.646 3.237 20 30 JGEDRO CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001305878414 1069431614 /nfs/dbraw/zinc/43/16/14/1069431614.db2.gz CYQXOESLHFXSGS-SQJMNOBHSA-N 1 0 452.603 3.202 20 30 JGEDRO 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1068347067 /nfs/dbraw/zinc/34/70/67/1068347067.db2.gz LBGNFSYARRFFRK-WMZHIEFXSA-N 1 0 484.670 3.483 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305219284 1068356071 /nfs/dbraw/zinc/35/60/71/1068356071.db2.gz AQHVEPVERLRVMN-ADAARDCZSA-N 1 0 489.665 3.286 20 30 JGEDRO C[C@@H]1C[N@@H+](CCCn2c(N3CCN(c4cccc(F)c4C#N)CC3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305220500 1068358310 /nfs/dbraw/zinc/35/83/10/1068358310.db2.gz GEXGIHVESFRIIY-BGYRXZFFSA-N 1 0 483.636 3.412 20 30 JGEDRO C[C@@H]1C[N@H+](CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)(C#N)CC2)CCCO1 ZINC001305221772 1068361561 /nfs/dbraw/zinc/36/15/61/1068361561.db2.gz LZHAMGXFRZZTQP-OAQYLSRUSA-N 1 0 477.613 3.360 20 30 JGEDRO C[C@H]1C[N@H+](CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCCO2)CCCO1 ZINC001305224053 1068366318 /nfs/dbraw/zinc/36/63/18/1068366318.db2.gz WLXXOHMBFHMFSK-XUZZJYLKSA-N 1 0 482.629 3.235 20 30 JGEDRO C[C@@H]1C[N@H+](CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCCCO2)CCCO1 ZINC001305224047 1068366364 /nfs/dbraw/zinc/36/63/64/1068366364.db2.gz WLXXOHMBFHMFSK-QPPBQGQZSA-N 1 0 482.629 3.235 20 30 JGEDRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001305261709 1068431373 /nfs/dbraw/zinc/43/13/73/1068431373.db2.gz IDYCIZQYQVREOS-DHIUTWEWSA-N 1 0 463.630 3.432 20 30 JGEDRO CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305310070 1068519062 /nfs/dbraw/zinc/51/90/62/1068519062.db2.gz FMDAOPJVMSMVKH-PBDKAQRYSA-N 1 0 496.656 3.215 20 30 JGEDRO C[C@]1(C#N)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[NH+]2CCOCC2)C1 ZINC001303937778 1068596239 /nfs/dbraw/zinc/59/62/39/1068596239.db2.gz UIVZDHGSIIROEM-OAQYLSRUSA-N 1 0 476.423 3.278 20 30 JGEDRO CC[C@H](C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)OC ZINC001305351870 1068597391 /nfs/dbraw/zinc/59/73/91/1068597391.db2.gz OCOJGWQJRNKHAD-RDPSFJRHSA-N 1 0 476.629 3.324 20 30 JGEDRO C[C@]1(C#N)CCCN(c2nnc(COc3ccccc3F)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001303939586 1068599077 /nfs/dbraw/zinc/59/90/77/1068599077.db2.gz IDKSAPBJIFGMQI-CJFMBICVSA-N 1 0 470.593 3.363 20 30 JGEDRO C[C@@]1(C#N)CCCN(c2nnc(COc3ccccc3F)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001303939589 1068599180 /nfs/dbraw/zinc/59/91/80/1068599180.db2.gz IDKSAPBJIFGMQI-NLFFAJNJSA-N 1 0 470.593 3.363 20 30 JGEDRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001303940566 1068600812 /nfs/dbraw/zinc/60/08/12/1068600812.db2.gz CLCZVBDBZULAAT-DNRQZRRGSA-N 1 0 458.651 3.174 20 30 JGEDRO CC[C@H](C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001305506578 1068743248 /nfs/dbraw/zinc/74/32/48/1068743248.db2.gz UKUHYPGJLYJTEC-NRFANRHFSA-N 1 0 465.646 3.227 20 30 JGEDRO CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001305530857 1068786389 /nfs/dbraw/zinc/78/63/89/1068786389.db2.gz FGOROYKEEMPZKF-PWRODBHTSA-N 1 0 465.650 3.433 20 30 JGEDRO CC[C@@H](C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC[NH+]1CCSCC1 ZINC001305540008 1068808513 /nfs/dbraw/zinc/80/85/13/1068808513.db2.gz HMMCLUHJZHWMRD-HXUWFJFHSA-N 1 0 453.660 3.034 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 ZINC001305604899 1068870586 /nfs/dbraw/zinc/87/05/86/1068870586.db2.gz GSJSIULPRPLVPS-IBGZPJMESA-N 1 0 462.602 3.166 20 30 JGEDRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001305607739 1068876468 /nfs/dbraw/zinc/87/64/68/1068876468.db2.gz YISOAVKLIXEIRH-NFBKMPQASA-N 1 0 478.645 3.054 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC001305607647 1068876578 /nfs/dbraw/zinc/87/65/78/1068876578.db2.gz NCCFACRTPPNPMD-FQEVSTJZSA-N 1 0 489.672 3.220 20 30 JGEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001305609523 1068882649 /nfs/dbraw/zinc/88/26/49/1068882649.db2.gz VGYNCTGQFRMYPK-MRXNPFEDSA-N 1 0 450.509 3.441 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001305618848 1068901912 /nfs/dbraw/zinc/90/19/12/1068901912.db2.gz HEJGNOJEDXURAP-NRFANRHFSA-N 1 0 499.623 3.052 20 30 JGEDRO CC[C@@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CCC2)C1 ZINC001305622908 1068912027 /nfs/dbraw/zinc/91/20/27/1068912027.db2.gz RHMRBJOMZWATOX-HXUWFJFHSA-N 1 0 452.603 3.466 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1)[NH+](C)C ZINC001305703708 1069087851 /nfs/dbraw/zinc/08/78/51/1069087851.db2.gz JEDFAORTLXOTKT-FUHWJXTLSA-N 1 0 464.412 3.131 20 30 JGEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)[NH+](C)C ZINC001305710806 1069108803 /nfs/dbraw/zinc/10/88/03/1069108803.db2.gz KZNVLLQHBVDWBA-GMAHTHKFSA-N 1 0 450.635 3.192 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCOC1)[NH+]1CCOCC1 ZINC001305710912 1069108899 /nfs/dbraw/zinc/10/88/99/1069108899.db2.gz XSPMYBHJHDKDIO-DHIUTWEWSA-N 1 0 452.603 3.179 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(C)=O)C1)[NH+](C)C ZINC001305710919 1069109445 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C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001301567224 1066391736 /nfs/dbraw/zinc/39/17/36/1066391736.db2.gz FNQXWAZYBULMKU-IRLDBZIGSA-N 1 0 459.660 3.492 20 30 JGEDRO C=CCO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[N@H+]2CC)C1 ZINC001301567532 1066392386 /nfs/dbraw/zinc/39/23/86/1066392386.db2.gz IKKSTTCMGMJMOY-PLACYPQZSA-N 1 0 474.650 3.314 20 30 JGEDRO C=CCO[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H]2CCC[N@H+]2CC)C1 ZINC001301567531 1066392539 /nfs/dbraw/zinc/39/25/39/1066392539.db2.gz IKKSTTCMGMJMOY-MHTWAQMVSA-N 1 0 474.650 3.314 20 30 JGEDRO CC(C)(C)[C@@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC[NH+]2CCOCC2)CCO1 ZINC001302031476 1066397103 /nfs/dbraw/zinc/39/71/03/1066397103.db2.gz RNCRKHJROCIYTJ-HHHXNRCGSA-N 1 0 496.656 3.483 20 30 JGEDRO C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001301577208 1066407661 /nfs/dbraw/zinc/40/76/61/1066407661.db2.gz LOXZXXRZUWJNCO-FQEVSTJZSA-N 1 0 464.035 3.264 20 30 JGEDRO C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001301586049 1066421703 /nfs/dbraw/zinc/42/17/03/1066421703.db2.gz HLMHZYLDAIPHMO-UHFFFAOYSA-N 1 0 471.671 3.119 20 30 JGEDRO C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)nnc1C(C)(C)C ZINC001301596314 1066438545 /nfs/dbraw/zinc/43/85/45/1066438545.db2.gz LECLSWAZMXUPNP-UXHICEINSA-N 1 0 451.681 3.267 20 30 JGEDRO C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001301601938 1066446016 /nfs/dbraw/zinc/44/60/16/1066446016.db2.gz VCKYIBWLSMHPQQ-SFHVURJKSA-N 1 0 472.615 3.462 20 30 JGEDRO C=CCSCCn1c(-c2ccccc2OC)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001301603698 1066448454 /nfs/dbraw/zinc/44/84/54/1066448454.db2.gz DVHZGXHPZNLFCJ-NRFANRHFSA-N 1 0 470.687 3.478 20 30 JGEDRO COCCC[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(C)(C#N)CC1 ZINC001301607310 1066453806 /nfs/dbraw/zinc/45/38/06/1066453806.db2.gz KIGAXWIXGHBNOO-UHFFFAOYSA-N 1 0 467.618 3.246 20 30 JGEDRO C=CCSCCn1c(COc2ccc(C)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001301620409 1066476964 /nfs/dbraw/zinc/47/69/64/1066476964.db2.gz FOSLXOICJCIDTR-UHFFFAOYSA-N 1 0 457.644 3.386 20 30 JGEDRO C=CCSCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001301622212 1066480656 /nfs/dbraw/zinc/48/06/56/1066480656.db2.gz BSWJHYLEDAYXGA-KDURUIRLSA-N 1 0 464.680 3.498 20 30 JGEDRO COCCO[C@@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CC1(C)CC1 ZINC001302073582 1066485085 /nfs/dbraw/zinc/48/50/85/1066485085.db2.gz UHGZXJWYHOVMKD-FQEVSTJZSA-N 1 0 452.603 3.386 20 30 JGEDRO COCCO[C@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CC1(C)CC1 ZINC001302073583 1066485163 /nfs/dbraw/zinc/48/51/63/1066485163.db2.gz UHGZXJWYHOVMKD-HXUWFJFHSA-N 1 0 452.603 3.386 20 30 JGEDRO COCCO[C@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@H]1C[C@@H]1C ZINC001302074177 1066486409 /nfs/dbraw/zinc/48/64/09/1066486409.db2.gz ZQWMNTYFIMHYEV-MIZPHKNDSA-N 1 0 452.603 3.242 20 30 JGEDRO COCCO[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001302085458 1066509329 /nfs/dbraw/zinc/50/93/29/1066509329.db2.gz SULWEDRIMHFMPF-GOTSBHOMSA-N 1 0 495.672 3.321 20 30 JGEDRO CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001301696323 1066584496 /nfs/dbraw/zinc/58/44/96/1066584496.db2.gz MPURAWFJHAOMCC-RXFWQSSRSA-N 1 0 463.630 3.386 20 30 JGEDRO COCC[N@H+](C)CCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C)(C#N)CC1 ZINC001301713319 1066611775 /nfs/dbraw/zinc/61/17/75/1066611775.db2.gz KNTVGBLHBRINPK-UHFFFAOYSA-N 1 0 478.439 3.144 20 30 JGEDRO COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001302164946 1066626216 /nfs/dbraw/zinc/62/62/16/1066626216.db2.gz CLUGWYAZASACBX-GMAHTHKFSA-N 1 0 452.603 3.179 20 30 JGEDRO COCC[N@H+](C)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC#N)CC1 ZINC001301722172 1066628294 /nfs/dbraw/zinc/62/82/94/1066628294.db2.gz NOOYQVSWCTWRBI-NRFANRHFSA-N 1 0 489.665 3.448 20 30 JGEDRO COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001302167507 1066634913 /nfs/dbraw/zinc/63/49/13/1066634913.db2.gz WQXHVIMMZGSTOC-JOCHJYFZSA-N 1 0 464.570 3.344 20 30 JGEDRO COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001302170081 1066639006 /nfs/dbraw/zinc/63/90/06/1066639006.db2.gz ZJLXOASWROOJGQ-NFBKMPQASA-N 1 0 452.603 3.323 20 30 JGEDRO COCC[N@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N(C)C[C@H](C)C#N ZINC001301727962 1066646546 /nfs/dbraw/zinc/64/65/46/1066646546.db2.gz PMLDGKHRASPBIG-CQSZACIVSA-N 1 0 453.360 3.021 20 30 JGEDRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001302190744 1066671975 /nfs/dbraw/zinc/67/19/75/1066671975.db2.gz BUQVARGAKIBCMQ-OAQYLSRUSA-N 1 0 463.630 3.290 20 30 JGEDRO COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001302195710 1066685089 /nfs/dbraw/zinc/68/50/89/1066685089.db2.gz HMTALUKKXWFDCQ-DHIUTWEWSA-N 1 0 466.630 3.426 20 30 JGEDRO COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001302197691 1066688891 /nfs/dbraw/zinc/68/88/91/1066688891.db2.gz VYRUONNEGDQMCV-QNWVGRARSA-N 1 0 496.656 3.194 20 30 JGEDRO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[NH+](C(C)C)C(C)C)[C@@H](C)C1 ZINC001301759046 1066695306 /nfs/dbraw/zinc/69/53/06/1066695306.db2.gz LDJPLBGRZCYVQK-NRFANRHFSA-N 1 0 481.645 3.295 20 30 JGEDRO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[NH+](C(C)C)C(C)C)[C@H](C)C1 ZINC001301759047 1066695334 /nfs/dbraw/zinc/69/53/34/1066695334.db2.gz LDJPLBGRZCYVQK-OAQYLSRUSA-N 1 0 481.645 3.295 20 30 JGEDRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 ZINC001302203340 1066700181 /nfs/dbraw/zinc/70/01/81/1066700181.db2.gz OCPGBSVOBUSNGS-NRFANRHFSA-N 1 0 487.599 3.093 20 30 JGEDRO COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001301802795 1066754099 /nfs/dbraw/zinc/75/40/99/1066754099.db2.gz FETKZHSSRHBJMQ-WOJBJXKFSA-N 1 0 465.602 3.071 20 30 JGEDRO CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCC2)C1 ZINC001302243024 1066770958 /nfs/dbraw/zinc/77/09/58/1066770958.db2.gz OWFUVWDTARKDRP-NRFANRHFSA-N 1 0 465.602 3.406 20 30 JGEDRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001301818115 1066777595 /nfs/dbraw/zinc/77/75/95/1066777595.db2.gz JLQZSYSUZYQTCP-WMZHIEFXSA-N 1 0 463.630 3.432 20 30 JGEDRO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001301819558 1066780679 /nfs/dbraw/zinc/78/06/79/1066780679.db2.gz VMYYABBXSYJPBX-ROKPMTFOSA-N 1 0 463.630 3.290 20 30 JGEDRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001301852889 1066830225 /nfs/dbraw/zinc/83/02/25/1066830225.db2.gz HJJBUPHBYJVKHV-GGAORHGYSA-N 1 0 463.630 3.290 20 30 JGEDRO CC(C)(C)OC(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001302272986 1066832873 /nfs/dbraw/zinc/83/28/73/1066832873.db2.gz LTLLXVWAVBIESZ-UHFFFAOYSA-N 1 0 465.602 3.406 20 30 JGEDRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001302278403 1066845926 /nfs/dbraw/zinc/84/59/26/1066845926.db2.gz QDTMBQIXNJSUIO-WWNPGLIZSA-N 1 0 482.629 3.444 20 30 JGEDRO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001302284674 1066855090 /nfs/dbraw/zinc/85/50/90/1066855090.db2.gz TXBCIUIOJHCQIM-NMFSUFKKSA-N 1 0 462.614 3.201 20 30 JGEDRO C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@]3(C)C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)cc1 ZINC001301870554 1066862177 /nfs/dbraw/zinc/86/21/77/1066862177.db2.gz ZSNIVYQBTUETOO-PLQXJYEYSA-N 1 0 453.608 3.135 20 30 JGEDRO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001301873321 1066871747 /nfs/dbraw/zinc/87/17/47/1066871747.db2.gz SYASSTZWSYOLDO-ZCYQVOJMSA-N 1 0 493.656 3.202 20 30 JGEDRO CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001301878910 1066883415 /nfs/dbraw/zinc/88/34/15/1066883415.db2.gz HJLQFMWATGGTQL-HXUWFJFHSA-N 1 0 463.630 3.434 20 30 JGEDRO CC(C)(O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001302354085 1066947177 /nfs/dbraw/zinc/94/71/77/1066947177.db2.gz NMKXJAVKMIYVCH-UHFFFAOYSA-N 1 0 480.535 3.069 20 30 JGEDRO COCC[N@@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2sc(C)nc2C)C[C@H]1C ZINC001301927413 1066962144 /nfs/dbraw/zinc/96/21/44/1066962144.db2.gz FKGUCHPHYJQVIA-QGZVFWFLSA-N 1 0 481.626 3.007 20 30 JGEDRO CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC[NH+]2CCC(C)CC2)C1 ZINC001302380657 1066963926 /nfs/dbraw/zinc/96/39/26/1066963926.db2.gz MMIVPIYLDIJWTI-HSZRJFAPSA-N 1 0 452.603 3.466 20 30 JGEDRO COCC[N@@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCS2)C[C@H]1C ZINC001301928054 1066965122 /nfs/dbraw/zinc/96/51/22/1066965122.db2.gz RVPSBBCAFUZMHG-KNQAVFIVSA-N 1 0 470.643 3.171 20 30 JGEDRO CO[C@@H]1CC[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)(C)C[NH+](C)C)C[C@H]12 ZINC001302382425 1066965590 /nfs/dbraw/zinc/96/55/90/1066965590.db2.gz BLBGQWQPISTIMF-BAGYTPMASA-N 1 0 452.603 3.178 20 30 JGEDRO COCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001301939208 1066984190 /nfs/dbraw/zinc/98/41/90/1066984190.db2.gz POFGAXUSBKXANR-REWPJTCUSA-N 1 0 493.656 3.059 20 30 JGEDRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001302421310 1067007252 /nfs/dbraw/zinc/00/72/52/1067007252.db2.gz UONHKGZFWGWQIC-NRFANRHFSA-N 1 0 481.645 3.058 20 30 JGEDRO CC(C)[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC#N)[NH+]1CCCC1 ZINC001302514520 1067130688 /nfs/dbraw/zinc/13/06/88/1067130688.db2.gz BZTCPNSAMDOPKP-UYAOXDASSA-N 1 0 472.663 3.097 20 30 JGEDRO Cc1ncsc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1([NH+](C)C)CCOCC1 ZINC001304097385 1067138815 /nfs/dbraw/zinc/13/88/15/1067138815.db2.gz ORXFAOMZJFUXHL-UHFFFAOYSA-N 1 0 481.626 3.241 20 30 JGEDRO CC(C)[C@H](Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001302532362 1067161793 /nfs/dbraw/zinc/16/17/93/1067161793.db2.gz ZKZOPWJXUIDWOW-NRFANRHFSA-N 1 0 450.635 3.289 20 30 JGEDRO CC(C)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1CCNC(=O)C1N=CC=CC1=O ZINC001302571352 1067211186 /nfs/dbraw/zinc/21/11/86/1067211186.db2.gz NXTLWFQHCPWKFH-FLWFTESMSA-N 1 0 491.640 3.417 20 30 JGEDRO CC(C)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1CCNC(=O)C1N=CC=CC1=O ZINC001302571354 1067211202 /nfs/dbraw/zinc/21/12/02/1067211202.db2.gz NXTLWFQHCPWKFH-XCRFCFENSA-N 1 0 491.640 3.417 20 30 JGEDRO Cc1cc(Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)cc(N2CCCC2)[nH+]1 ZINC001304225246 1067264008 /nfs/dbraw/zinc/26/40/08/1067264008.db2.gz MWZLDAXNUZBANL-CPJSRVTESA-N 1 0 467.618 3.409 20 30 JGEDRO Cc1ccc([C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)[NH+](C)C)cc1 ZINC001304273737 1067310496 /nfs/dbraw/zinc/31/04/96/1067310496.db2.gz JMHGWZGZHNNYDI-QUCCMNQESA-N 1 0 484.402 3.376 20 30 JGEDRO CSC[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302694945 1067320014 /nfs/dbraw/zinc/32/00/14/1067320014.db2.gz BSGFUKOIXLMNFG-QHCPKHFHSA-N 1 0 467.687 3.422 20 30 JGEDRO CC(C)c1noc([C@@H](C)N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)[NH+](C)C)CC2)n1 ZINC001302727079 1067343051 /nfs/dbraw/zinc/34/30/51/1067343051.db2.gz ZLGNVIOUADOENB-RBUKOAKNSA-N 1 0 477.617 3.156 20 30 JGEDRO CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001302736661 1067349501 /nfs/dbraw/zinc/34/95/01/1067349501.db2.gz KDJOZWVRJJWBRX-XZOQPEGZSA-N 1 0 463.630 3.384 20 30 JGEDRO CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1)[NH+](C)C ZINC001302809124 1067397709 /nfs/dbraw/zinc/39/77/09/1067397709.db2.gz UOLZNOXYTVUXFC-XPWALMASSA-N 1 0 452.603 3.177 20 30 JGEDRO CC(C)C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001302819401 1067407029 /nfs/dbraw/zinc/40/70/29/1067407029.db2.gz MKLPEVJOWFGFGR-AREMUKBSSA-N 1 0 486.668 3.434 20 30 JGEDRO CC(C)C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001302819402 1067407099 /nfs/dbraw/zinc/40/70/99/1067407099.db2.gz MKLPEVJOWFGFGR-SANMLTNESA-N 1 0 486.668 3.434 20 30 JGEDRO CC(C)Cc1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1CCNC(=O)C1N=CC=CC1=O ZINC001302838477 1067424820 /nfs/dbraw/zinc/42/48/20/1067424820.db2.gz VKCAXDRDPVHENN-OZSVZHKOSA-N 1 0 491.640 3.104 20 30 JGEDRO Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1C ZINC001304405869 1067469192 /nfs/dbraw/zinc/46/91/92/1067469192.db2.gz ZVKVYAHBUCFYGI-QFIPXVFZSA-N 1 0 452.603 3.061 20 30 JGEDRO Cc1ccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2C[C@H]2CCC[N@@H+]2CCCO)cc1C ZINC001304406797 1067471078 /nfs/dbraw/zinc/47/10/78/1067471078.db2.gz FWMUBAPMZMXMHE-JOCHJYFZSA-N 1 0 466.630 3.451 20 30 JGEDRO Cc1ccc(OCc2nnc(N3CCC(CC#N)CC3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001304409356 1067474738 /nfs/dbraw/zinc/47/47/38/1067474738.db2.gz NNWYDUVVLZGMTB-UHFFFAOYSA-N 1 0 452.603 3.142 20 30 JGEDRO Cc1ccc(OCc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001304418537 1067492650 /nfs/dbraw/zinc/49/26/50/1067492650.db2.gz QVIQRPSBMMNNQC-OAQYLSRUSA-N 1 0 474.613 3.017 20 30 JGEDRO CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCCC[NH+]1CCCC1 ZINC001302950351 1067524327 /nfs/dbraw/zinc/52/43/27/1067524327.db2.gz VFZKNKTWWDQMEV-UHFFFAOYSA-N 1 0 450.635 3.336 20 30 JGEDRO N#C[C@]1(F)CCN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001302979361 1067544787 /nfs/dbraw/zinc/54/47/87/1067544787.db2.gz IKKXYFSDKZIWAC-LJQANCHMSA-N 1 0 465.396 3.198 20 30 JGEDRO N#Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)o1 ZINC001302989782 1067550775 /nfs/dbraw/zinc/55/07/75/1067550775.db2.gz SQLAPZPDKHBANF-UHFFFAOYSA-N 1 0 499.497 3.421 20 30 JGEDRO N#Cc1ccc(-c2nnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2CCSC(F)(F)F)cc1 ZINC001302989837 1067551301 /nfs/dbraw/zinc/55/13/01/1067551301.db2.gz URUQEKLFKSJKMD-GOSISDBHSA-N 1 0 466.533 3.371 20 30 JGEDRO N#C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCCCCC2)CCO1 ZINC001303002011 1067559113 /nfs/dbraw/zinc/55/91/13/1067559113.db2.gz QCALUORTRMGVPG-HNNXBMFYSA-N 1 0 465.421 3.374 20 30 JGEDRO Cc1cccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304507673 1067581689 /nfs/dbraw/zinc/58/16/89/1067581689.db2.gz VAJBJXZGVVWKKW-DFIYOIEZSA-N 1 0 470.593 3.495 20 30 JGEDRO CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001303064331 1067599893 /nfs/dbraw/zinc/59/98/93/1067599893.db2.gz WXJLLCGXPAOBKF-UHFFFAOYSA-N 1 0 481.645 3.466 20 30 JGEDRO CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc2C1 ZINC001303067002 1067601891 /nfs/dbraw/zinc/60/18/91/1067601891.db2.gz XDWWOJVCMRYFKU-URXFXBBRSA-N 1 0 498.697 3.393 20 30 JGEDRO CC(C)CC[NH+]1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1 ZINC001303091397 1067628140 /nfs/dbraw/zinc/62/81/40/1067628140.db2.gz UKALTXXOIFCWOQ-JOCHJYFZSA-N 1 0 476.691 3.068 20 30 JGEDRO CC(C)CCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001303094908 1067631428 /nfs/dbraw/zinc/63/14/28/1067631428.db2.gz KCGDYTYHBFALMT-RUZDIDTESA-N 1 0 452.603 3.177 20 30 JGEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)C[C@@H](C)C#N)C1 ZINC001303172178 1067704771 /nfs/dbraw/zinc/70/47/71/1067704771.db2.gz BHRGRLVSODSSEM-VQTJNVASSA-N 1 0 476.629 3.156 20 30 JGEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)C[C@H](C)C#N)C1 ZINC001303172179 1067705018 /nfs/dbraw/zinc/70/50/18/1067705018.db2.gz BHRGRLVSODSSEM-WOJBJXKFSA-N 1 0 476.629 3.156 20 30 JGEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)C[C@@H](C)C#N)C1 ZINC001303172176 1067705053 /nfs/dbraw/zinc/70/50/53/1067705053.db2.gz BHRGRLVSODSSEM-PMACEKPBSA-N 1 0 476.629 3.156 20 30 JGEDRO CC(C)CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001303227967 1067763522 /nfs/dbraw/zinc/76/35/22/1067763522.db2.gz ZFXOALSKJZRGOM-ZEQRLZLVSA-N 1 0 466.630 3.425 20 30 JGEDRO CC(C)CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001303230155 1067764603 /nfs/dbraw/zinc/76/46/03/1067764603.db2.gz KCFHWHLUTQTCBX-JOCHJYFZSA-N 1 0 470.643 3.029 20 30 JGEDRO CC(C)COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001303233642 1067766581 /nfs/dbraw/zinc/76/65/81/1067766581.db2.gz PWZUVFKFVWFBGA-UHFFFAOYSA-N 1 0 466.630 3.428 20 30 JGEDRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001303268383 1067796429 /nfs/dbraw/zinc/79/64/29/1067796429.db2.gz GZEJJNPSODEDEA-YPAWHYETSA-N 1 0 457.667 3.104 20 30 JGEDRO CC(C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C ZINC001303278484 1067806404 /nfs/dbraw/zinc/80/64/04/1067806404.db2.gz GKAOMLLPONIMLM-JOCHJYFZSA-N 1 0 462.602 3.316 20 30 JGEDRO CC(C)[NH+](CCn1c(Cc2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)C(C)C ZINC001303297141 1067821557 /nfs/dbraw/zinc/82/15/57/1067821557.db2.gz OEGNXZJTJUBZDF-QFIPXVFZSA-N 1 0 453.610 3.303 20 30 JGEDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@H](C)CC#N)C1 ZINC001303302491 1067827253 /nfs/dbraw/zinc/82/72/53/1067827253.db2.gz JXAYEEMICVXQRJ-RTBURBONSA-N 1 0 458.632 3.207 20 30 JGEDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@@H](C)CC#N)C1 ZINC001303302490 1067827303 /nfs/dbraw/zinc/82/73/03/1067827303.db2.gz JXAYEEMICVXQRJ-RBUKOAKNSA-N 1 0 458.632 3.207 20 30 JGEDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001303302536 1067827791 /nfs/dbraw/zinc/82/77/91/1067827791.db2.gz LJQSPVPDDNHHNU-FQEVSTJZSA-N 1 0 451.619 3.288 20 30 JGEDRO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3Cl)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001303307343 1067834886 /nfs/dbraw/zinc/83/48/86/1067834886.db2.gz BMXAAQMOGXWQRV-XTQSDGFTSA-N 1 0 484.004 3.045 20 30 JGEDRO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)n2CCCOC(F)F)n1 ZINC001304757969 1067842087 /nfs/dbraw/zinc/84/20/87/1067842087.db2.gz BDUDYKLMIPEIIW-UHFFFAOYSA-N 1 0 498.582 3.353 20 30 JGEDRO CC(C)[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001303312111 1067842285 /nfs/dbraw/zinc/84/22/85/1067842285.db2.gz ZEXSDCLFUFRDOE-OAQYLSRUSA-N 1 0 491.562 3.000 20 30 JGEDRO CC(C)NC(=O)c1nnc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1Cc1ccc(C#N)o1 ZINC001303366437 1067894916 /nfs/dbraw/zinc/89/49/16/1067894916.db2.gz ONCRULYPNBGIAW-UHFFFAOYSA-N 1 0 475.597 3.278 20 30 JGEDRO CC(C)NC(=O)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CC1CC(F)(F)C1 ZINC001303398706 1067927176 /nfs/dbraw/zinc/92/71/76/1067927176.db2.gz RVZPCHYUPRJQBX-UHFFFAOYSA-N 1 0 471.556 3.046 20 30 JGEDRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001304923454 1067965201 /nfs/dbraw/zinc/96/52/01/1067965201.db2.gz FYSJERUFYZGEEO-JTAQYXEDSA-N 1 0 463.630 3.277 20 30 JGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)C1 ZINC001304924553 1067967370 /nfs/dbraw/zinc/96/73/70/1067967370.db2.gz IIMJMXQBAPEAAO-SEDAZVQISA-N 1 0 476.691 3.068 20 30 JGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)C1 ZINC001304924555 1067967415 /nfs/dbraw/zinc/96/74/15/1067967415.db2.gz IIMJMXQBAPEAAO-WHLIWEHUSA-N 1 0 476.691 3.068 20 30 JGEDRO CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304926344 1067969777 /nfs/dbraw/zinc/96/97/77/1067969777.db2.gz RCUGHKGMJLPLDX-SFTDATJTSA-N 1 0 450.635 3.363 20 30 JGEDRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)c2ccco2)CC1 ZINC001303467708 1067986583 /nfs/dbraw/zinc/98/65/83/1067986583.db2.gz FWIRKPKMOHCWFL-VWLOTQADSA-N 1 0 464.570 3.196 20 30 JGEDRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CC1 ZINC001303467985 1067986967 /nfs/dbraw/zinc/98/69/67/1067986967.db2.gz OVCXXCKTDBBQDS-UHFFFAOYSA-N 1 0 468.993 3.246 20 30 JGEDRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2C)CC1 ZINC001303468139 1067987601 /nfs/dbraw/zinc/98/76/01/1067987601.db2.gz UOYXSWKMJUXYKC-PZJWPPBQSA-N 1 0 452.603 3.368 20 30 JGEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)F)CC1 ZINC001304976967 1068015711 /nfs/dbraw/zinc/01/57/11/1068015711.db2.gz OPGFZVUVTRTVSJ-PMACEKPBSA-N 1 0 487.599 3.441 20 30 JGEDRO C[C@@H]1CCC[C@@](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)([NH+](C)C)C1 ZINC001304986739 1068029589 /nfs/dbraw/zinc/02/95/89/1068029589.db2.gz LYZMGJLPZXTMTD-OPJGWUQDSA-N 1 0 484.670 3.199 20 30 JGEDRO C[C@@H]1CCC[C@](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)([NH+](C)C)C1 ZINC001304991021 1068033039 /nfs/dbraw/zinc/03/30/39/1068033039.db2.gz UYUSLFYLUAKWBW-VSDWSMLSSA-N 1 0 473.622 3.222 20 30 JGEDRO C[C@H]1CCC[N@H+](CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@](F)(C#N)C2)C1 ZINC001305042441 1068097487 /nfs/dbraw/zinc/09/74/87/1068097487.db2.gz JDGOUSWHBPDXCY-SBUREZEXSA-N 1 0 473.984 3.035 20 30 JGEDRO C[C@H]1CCC[N@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001305044655 1068102033 /nfs/dbraw/zinc/10/20/33/1068102033.db2.gz BGLJUHVKSRZGEN-RXVVDRJESA-N 1 0 453.547 3.094 20 30 JGEDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001305060122 1068124342 /nfs/dbraw/zinc/12/43/42/1068124342.db2.gz ONZIRDOOVOVVQM-QZTJIDSGSA-N 1 0 461.536 3.374 20 30 JGEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC001305065351 1068136955 /nfs/dbraw/zinc/13/69/55/1068136955.db2.gz YLPRQPQJRBWKHV-QFIPXVFZSA-N 1 0 479.673 3.484 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001305068718 1068142798 /nfs/dbraw/zinc/14/27/98/1068142798.db2.gz YAKORQMQQOIBFN-NHCUHLMSSA-N 1 0 465.650 3.311 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001303627395 1068157101 /nfs/dbraw/zinc/15/71/01/1068157101.db2.gz JRSDLDXUMIJDFA-CVDCTZTESA-N 1 0 489.628 3.016 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCC1CCOCC1 ZINC001303635815 1068163758 /nfs/dbraw/zinc/16/37/58/1068163758.db2.gz FNCKPINCBMIHAS-QFIPXVFZSA-N 1 0 465.646 3.198 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCC1CCOCC1 ZINC001303635814 1068163793 /nfs/dbraw/zinc/16/37/93/1068163793.db2.gz FNCKPINCBMIHAS-JOCHJYFZSA-N 1 0 465.646 3.198 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCc1ccccn1 ZINC001303637708 1068165917 /nfs/dbraw/zinc/16/59/17/1068165917.db2.gz ZBDTWPDOJZCDBW-JOCHJYFZSA-N 1 0 458.614 3.019 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001303641005 1068168381 /nfs/dbraw/zinc/16/83/81/1068168381.db2.gz OXIRDVYMFQNFKT-OFNKIYASSA-N 1 0 473.629 3.493 20 30 JGEDRO CC1CC[NH+](CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001305106290 1068174135 /nfs/dbraw/zinc/17/41/35/1068174135.db2.gz SULCIKNAQHFQGG-UHFFFAOYSA-N 1 0 457.573 3.326 20 30 JGEDRO CC1CC[NH+](CCCn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001305107078 1068175696 /nfs/dbraw/zinc/17/56/96/1068175696.db2.gz XUBCHUCLJYNHOS-QHCPKHFHSA-N 1 0 484.670 3.342 20 30 JGEDRO CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001305111274 1068182897 /nfs/dbraw/zinc/18/28/97/1068182897.db2.gz APYPBAUDKAAYSV-ZFGGDYGUSA-N 1 0 496.656 3.478 20 30 JGEDRO C[C@@H]1C[NH+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC=CCC2)C[C@@H](C)O1 ZINC001305112689 1068187934 /nfs/dbraw/zinc/18/79/34/1068187934.db2.gz OOTIVBHFEQBYQH-WOJBJXKFSA-N 1 0 450.587 3.383 20 30 JGEDRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)C[C@@H](C)O1 ZINC001305114471 1068192409 /nfs/dbraw/zinc/19/24/09/1068192409.db2.gz YJFAOZGRTYABCI-NHCUHLMSSA-N 1 0 494.688 3.348 20 30 JGEDRO C[C@H]1C[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)C[C@H](C)O1 ZINC001305114473 1068192483 /nfs/dbraw/zinc/19/24/83/1068192483.db2.gz YJFAOZGRTYABCI-SFTDATJTSA-N 1 0 494.688 3.348 20 30 JGEDRO C[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC001303664631 1068197269 /nfs/dbraw/zinc/19/72/69/1068197269.db2.gz MALUERLLRIFIBO-DENIHFKCSA-N 1 0 470.643 3.095 20 30 JGEDRO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)[NH+](C)C ZINC001303695161 1068237888 /nfs/dbraw/zinc/23/78/88/1068237888.db2.gz RQWKJHTXLNOOOY-INIZCTEOSA-N 1 0 468.968 3.281 20 30 JGEDRO C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305147004 1068248793 /nfs/dbraw/zinc/24/87/93/1068248793.db2.gz BJGJIDCUEYLRDW-NQIIRXRSSA-N 1 0 465.602 3.262 20 30 JGEDRO CC(C)[NH+](CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1)C(C)C ZINC001305150812 1068256843 /nfs/dbraw/zinc/25/68/43/1068256843.db2.gz VJNWSWLNPJFWHD-NLFFAJNJSA-N 1 0 452.603 3.320 20 30 JGEDRO C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303738344 1068297643 /nfs/dbraw/zinc/29/76/43/1068297643.db2.gz SSXZLLRSYBZDFD-CTNGQTDRSA-N 1 0 497.644 3.420 20 30 JGEDRO C[C@@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)CC#N)C[NH+]1CCCCC1 ZINC001303752610 1068313748 /nfs/dbraw/zinc/31/37/48/1068313748.db2.gz IIZCPWHOLKSIFH-NHCUHLMSSA-N 1 0 465.650 3.312 20 30 JGEDRO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@](C)(C#N)C1)C[NH+]1CCOCC1 ZINC001303757397 1068320286 /nfs/dbraw/zinc/32/02/86/1068320286.db2.gz WDZSJDVVWGEKDN-HRAATJIYSA-N 1 0 476.423 3.134 20 30 JGEDRO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@](C)(C#N)C1)C[NH+]1CCOCC1 ZINC001303757399 1068320532 /nfs/dbraw/zinc/32/05/32/1068320532.db2.gz WDZSJDVVWGEKDN-IERDGZPVSA-N 1 0 476.423 3.134 20 30 JGEDRO C[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC001303765592 1068336944 /nfs/dbraw/zinc/33/69/44/1068336944.db2.gz ZWGNOHRNABRNQG-LJQANCHMSA-N 1 0 450.612 3.407 20 30 JGEDRO CC(F)(F)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@](F)(C#N)C1 ZINC001303786401 1068366664 /nfs/dbraw/zinc/36/66/64/1068366664.db2.gz CBBPAQIBEFENGQ-QHCPKHFHSA-N 1 0 461.536 3.130 20 30 JGEDRO C[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)[NH+](C)C ZINC001303896929 1068536818 /nfs/dbraw/zinc/53/68/18/1068536818.db2.gz DMRSNNFAMWKLGF-OALUTQOASA-N 1 0 478.576 3.101 20 30 JGEDRO C[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)[NH+](C)C ZINC001303896931 1068536829 /nfs/dbraw/zinc/53/68/29/1068536829.db2.gz DMRSNNFAMWKLGF-RTBURBONSA-N 1 0 478.576 3.101 20 30 JGEDRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C)[NH+](C)C ZINC001303896930 1068536838 /nfs/dbraw/zinc/53/68/38/1068536838.db2.gz DMRSNNFAMWKLGF-RBUKOAKNSA-N 1 0 478.576 3.101 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001303916474 1068568139 /nfs/dbraw/zinc/56/81/39/1068568139.db2.gz IZZNSSBPNZNRPI-RTBURBONSA-N 1 0 457.598 3.322 20 30 JGEDRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303931742 1068589780 /nfs/dbraw/zinc/58/97/80/1068589780.db2.gz IQGOEVJUVUTJII-MOPGFXCFSA-N 1 0 456.566 3.408 20 30 JGEDRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001303943705 1068604622 /nfs/dbraw/zinc/60/46/22/1068604622.db2.gz DLOFXYSPNFLROR-NHCUHLMSSA-N 1 0 458.651 3.174 20 30 JGEDRO CC1(C#N)CCN(c2nnc(CCc3ccccc3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001303944415 1068605407 /nfs/dbraw/zinc/60/54/07/1068605407.db2.gz QZQVMUISPHTAKA-QHCPKHFHSA-N 1 0 450.631 3.430 20 30 JGEDRO CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC1CC[NH+](CC)CC1 ZINC001305522741 1068775574 /nfs/dbraw/zinc/77/55/74/1068775574.db2.gz QCCVUXBYKXUKOD-IBGZPJMESA-N 1 0 467.666 3.154 20 30 JGEDRO CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001305530855 1068786467 /nfs/dbraw/zinc/78/64/67/1068786467.db2.gz FGOROYKEEMPZKF-PCCBWWKXSA-N 1 0 465.650 3.433 20 30 JGEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001305603663 1068867828 /nfs/dbraw/zinc/86/78/28/1068867828.db2.gz AJCWXBZKZVTWHP-VQIMIIECSA-N 1 0 477.535 3.052 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C#N)C1 ZINC001305604498 1068869914 /nfs/dbraw/zinc/86/99/14/1068869914.db2.gz FYMRCEFZACNWBE-HOCLYGCPSA-N 1 0 465.371 3.306 20 30 JGEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cc(C)on2)CC1 ZINC001305604904 1068870629 /nfs/dbraw/zinc/87/06/29/1068870629.db2.gz GSJSIULPRPLVPS-LJQANCHMSA-N 1 0 462.602 3.166 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001305614237 1068890762 /nfs/dbraw/zinc/89/07/62/1068890762.db2.gz NBZLNCCLQMVLDU-BVZFJXPGSA-N 1 0 462.602 3.052 20 30 JGEDRO CC[C@H](C)NC(=O)CCn1c(-c2cccnc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001305634425 1068942951 /nfs/dbraw/zinc/94/29/51/1068942951.db2.gz OECVSVWPLBEWOM-NRFANRHFSA-N 1 0 486.624 3.229 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1)[NH+](C)C ZINC001305703659 1069087057 /nfs/dbraw/zinc/08/70/57/1069087057.db2.gz IOMNSYHNBZPAEB-DHIUTWEWSA-N 1 0 451.619 3.288 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1)[NH+]1CCOCC1 ZINC001305704919 1069092387 /nfs/dbraw/zinc/09/23/87/1069092387.db2.gz OCEWJFKIAWKDKP-XZOQPEGZSA-N 1 0 452.603 3.179 20 30 JGEDRO CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1)[NH+](C)C ZINC001305706979 1069097579 /nfs/dbraw/zinc/09/75/79/1069097579.db2.gz WYWVIYKVYNNDHJ-QHCPKHFHSA-N 1 0 473.629 3.300 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)[C@@H](C)CC#N)[NH+]1CCOCC1 ZINC001305709788 1069105604 /nfs/dbraw/zinc/10/56/04/1069105604.db2.gz GBIJMJYZMGHUKZ-PGRDOPGGSA-N 1 0 492.628 3.469 20 30 JGEDRO CCC(CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001305714941 1069118930 /nfs/dbraw/zinc/11/89/30/1069118930.db2.gz LMARPDVOISAWNQ-JWQCQUIFSA-N 1 0 479.673 3.342 20 30 JGEDRO CCC(CC)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C)[NH+](C)C ZINC001305715689 1069120861 /nfs/dbraw/zinc/12/08/61/1069120861.db2.gz NQFWWUYBGQNVOV-DVECYGJZSA-N 1 0 481.645 3.152 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+](C)C ZINC001305718351 1069125915 /nfs/dbraw/zinc/12/59/15/1069125915.db2.gz YXLKMCQFKWQXCJ-YSZBQJHXSA-N 1 0 454.619 3.302 20 30 JGEDRO CCC(CC)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+](C)C ZINC001305718346 1069126061 /nfs/dbraw/zinc/12/60/61/1069126061.db2.gz YXLKMCQFKWQXCJ-LEOXJPRUSA-N 1 0 454.619 3.302 20 30 JGEDRO CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001305739148 1069166433 /nfs/dbraw/zinc/16/64/33/1069166433.db2.gz JNWWLWHJLKQOLD-LJQANCHMSA-N 1 0 451.619 3.457 20 30 JGEDRO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1Cc1cc(C)no1 ZINC001305776525 1069260269 /nfs/dbraw/zinc/26/02/69/1069260269.db2.gz NXOVWYTYVBKUGJ-UHFFFAOYSA-N 1 0 490.612 3.125 20 30 JGEDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(OC)nc(Cl)c1C#N)C2 ZINC001164613935 719009399 /nfs/dbraw/zinc/00/93/99/719009399.db2.gz ANJWUGYQCZUMBV-IERDGZPVSA-N 1 0 468.932 3.309 20 30 JGEDRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc(OC)nc(Cl)c3C#N)CC2)CC1 ZINC001164616986 719028955 /nfs/dbraw/zinc/02/89/55/719028955.db2.gz GWQPMOQKKQTOJN-UHFFFAOYSA-N 1 0 456.921 3.404 20 30 JGEDRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(-c3ccc(C#N)cc3)nnc1Cl)CC2 ZINC001164693196 719758926 /nfs/dbraw/zinc/75/89/26/719758926.db2.gz YKYMZNHKWBQVDH-UHFFFAOYSA-N 1 0 474.943 3.394 20 30 JGEDRO CSc1nc(-c2ccccc2)nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1C#N ZINC001164719125 720188260 /nfs/dbraw/zinc/18/82/60/720188260.db2.gz SIDRMQRSEGKKER-NRFANRHFSA-N 1 0 490.637 3.082 20 30 JGEDRO Cn1nnc2c1CCN(c1cnc(Cl)nc1Oc1ccccc1C#N)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717257 720205285 /nfs/dbraw/zinc/20/52/85/720205285.db2.gz HKFXXLIAEHNKLM-HXUWFJFHSA-N 1 0 494.987 3.139 20 30 JGEDRO Cn1nnc2c1CCN(c1nc3cc(F)ccc3c(Cl)c1C#N)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719329 720207007 /nfs/dbraw/zinc/20/70/07/720207007.db2.gz RRAWLUCEPGGNQJ-HXUWFJFHSA-N 1 0 469.952 3.244 20 30 JGEDRO COc1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C#N)c(Cl)n1 ZINC001164743129 720835949 /nfs/dbraw/zinc/83/59/49/720835949.db2.gz ITTIZIIPBJIWFC-TXPKVOOTSA-N 1 0 477.947 3.131 20 30 JGEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745247 720837283 /nfs/dbraw/zinc/83/72/83/720837283.db2.gz NBOGGUDIBZOQAQ-DNVJHFABSA-N 1 0 492.700 3.068 20 30 JGEDRO N#Cc1nc(Cl)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C#N ZINC001164758191 720890311 /nfs/dbraw/zinc/89/03/11/720890311.db2.gz XNUCYFLWIGQEOV-CYFREDJKSA-N 1 0 463.973 3.023 20 30 JGEDRO Cc1nc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C#N ZINC001164755012 720891788 /nfs/dbraw/zinc/89/17/88/720891788.db2.gz KDJBGOUTQGQYRN-HYBUGGRVSA-N 1 0 452.990 3.460 20 30 JGEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nn2)cc1 ZINC001164889992 721385675 /nfs/dbraw/zinc/38/56/75/721385675.db2.gz NEBAQCMTEMDWQZ-ONBPZOJHSA-N 1 0 460.626 3.206 20 30 JGEDRO CSc1nc(-c2ccccc2)nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1C#N ZINC001165009412 721740314 /nfs/dbraw/zinc/74/03/14/721740314.db2.gz CGWBXDOIRNLQHR-UHFFFAOYSA-N 1 0 450.612 3.260 20 30 JGEDRO CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)[NH+]1CCCC1 ZINC001305818021 1069352553 /nfs/dbraw/zinc/35/25/53/1069352553.db2.gz LDYIWBJKYHQQII-NZQKXSOJSA-N 1 0 463.630 3.384 20 30 JGEDRO 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3.020 20 30 JGEDRO CC(C)(C)OC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001302298519 1066882105 /nfs/dbraw/zinc/88/21/05/1066882105.db2.gz OPCOQVQXKHQFHI-QFIPXVFZSA-N 1 0 466.630 3.447 20 30 JGEDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C)c(C)s2)C[C@H]1C ZINC001301892672 1066913403 /nfs/dbraw/zinc/91/34/03/1066913403.db2.gz VHUAZUZHFXGURQ-MRXNPFEDSA-N 1 0 451.600 3.095 20 30 JGEDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C)c(C)s2)C[C@@H]1C ZINC001301892671 1066913588 /nfs/dbraw/zinc/91/35/88/1066913588.db2.gz VHUAZUZHFXGURQ-INIZCTEOSA-N 1 0 451.600 3.095 20 30 JGEDRO COCC[N@@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nc(C)c(C)s2)C[C@@H]1C ZINC001301927616 1066963200 /nfs/dbraw/zinc/96/32/00/1066963200.db2.gz KUNUXNQRESERBY-SFHVURJKSA-N 1 0 495.653 3.202 20 30 JGEDRO CC(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001302405742 1066987209 /nfs/dbraw/zinc/98/72/09/1066987209.db2.gz NYVKRZIQAGQGKJ-UHFFFAOYSA-N 1 0 463.630 3.386 20 30 JGEDRO CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC[NH+]2CCOCC2)CC(C)(C)O1 ZINC001303972036 1067022556 /nfs/dbraw/zinc/02/25/56/1067022556.db2.gz XBYMVULJPCEUDL-UHFFFAOYSA-N 1 0 452.603 3.323 20 30 JGEDRO CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001302453395 1067056269 /nfs/dbraw/zinc/05/62/69/1067056269.db2.gz ZOIYSTSVYZCVJY-NRFANRHFSA-N 1 0 465.627 3.390 20 30 JGEDRO CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1nccs1)[NH+]1CCOCC1 ZINC001302513657 1067128188 /nfs/dbraw/zinc/12/81/88/1067128188.db2.gz KWOMLPCYDZNQAK-HXUWFJFHSA-N 1 0 451.600 3.266 20 30 JGEDRO CSC1(Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)[C@@H](C)CC#N)CC[NH+](C)CC1 ZINC001302601081 1067237480 /nfs/dbraw/zinc/23/74/80/1067237480.db2.gz UJWWHAMNZRXDLA-KRWDZBQOSA-N 1 0 456.616 3.282 20 30 JGEDRO Cc1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)CC#N)cc(N2CCCC2)[nH+]1 ZINC001304210911 1067254981 /nfs/dbraw/zinc/25/49/81/1067254981.db2.gz JWPDONFDLYLDOO-GOSISDBHSA-N 1 0 459.558 3.016 20 30 JGEDRO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1([NH+](C)C)CCC1 ZINC001304231789 1067268873 /nfs/dbraw/zinc/26/88/73/1067268873.db2.gz AODOZCITDMWCLJ-FQEVSTJZSA-N 1 0 473.021 3.465 20 30 JGEDRO CS[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001302677153 1067302826 /nfs/dbraw/zinc/30/28/26/1067302826.db2.gz IZFHAKUJMVCXOX-GMAHTHKFSA-N 1 0 484.670 3.297 20 30 JGEDRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCC[N@@H+]2CCCO)c1 ZINC001304289411 1067335076 /nfs/dbraw/zinc/33/50/76/1067335076.db2.gz XVUJFLOBZCXICG-GJZUVCINSA-N 1 0 466.630 3.451 20 30 JGEDRO Cc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2C[C@H](CC(C)C)[NH+](C)C)o1 ZINC001304325173 1067374068 /nfs/dbraw/zinc/37/40/68/1067374068.db2.gz KZWWNPAVVFWBDY-QUCCMNQESA-N 1 0 477.617 3.200 20 30 JGEDRO Cc1ccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2Cc2ccc(C#N)o2)o1 ZINC001304325505 1067374268 /nfs/dbraw/zinc/37/42/68/1067374268.db2.gz VUFDWWAJLOGDSX-UHFFFAOYSA-N 1 0 478.475 3.451 20 30 JGEDRO CC(C)C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001302808364 1067396268 /nfs/dbraw/zinc/39/62/68/1067396268.db2.gz OJWLWVXLZHYFMI-FQEVSTJZSA-N 1 0 472.659 3.455 20 30 JGEDRO CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1)[NH+](C)C ZINC001302809122 1067397878 /nfs/dbraw/zinc/39/78/78/1067397878.db2.gz UOLZNOXYTVUXFC-DNVJHFABSA-N 1 0 452.603 3.177 20 30 JGEDRO CC(C)C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)[NH+](C)C ZINC001302813171 1067400904 /nfs/dbraw/zinc/40/09/04/1067400904.db2.gz WDCRUPLVPAIMNC-REWPJTCUSA-N 1 0 498.639 3.170 20 30 JGEDRO CC(C)C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)[NH+](C)C ZINC001302819719 1067407052 /nfs/dbraw/zinc/40/70/52/1067407052.db2.gz MYIPOBLRFGUBMU-UXHICEINSA-N 1 0 469.609 3.096 20 30 JGEDRO CC(C)C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1)[NH+](C)C ZINC001302821645 1067410545 /nfs/dbraw/zinc/41/05/45/1067410545.db2.gz KEEXQWJTVCPKIT-QFIPXVFZSA-N 1 0 482.629 3.091 20 30 JGEDRO CC(C)C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)[NH+](C)C ZINC001302823239 1067412499 /nfs/dbraw/zinc/41/24/99/1067412499.db2.gz RUODUXIWGQXXLN-JOCHJYFZSA-N 1 0 478.670 3.500 20 30 JGEDRO CC(C)C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC#N)CC1)[NH+](C)C ZINC001302824271 1067412808 /nfs/dbraw/zinc/41/28/08/1067412808.db2.gz YNASUROTUXUSDW-IBGZPJMESA-N 1 0 457.648 3.376 20 30 JGEDRO CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1CCNC(=O)C1N=CC=CC1=O ZINC001302838474 1067424903 /nfs/dbraw/zinc/42/49/03/1067424903.db2.gz VKCAXDRDPVHENN-FPEJUQHSSA-N 1 0 491.640 3.104 20 30 JGEDRO Cc1ccc(OCc2nnc(N3CCN(c4ncccc4C#N)CC3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001304419053 1067493282 /nfs/dbraw/zinc/49/32/82/1067493282.db2.gz VHILXSREJMLBPE-UHFFFAOYSA-N 1 0 488.640 3.489 20 30 JGEDRO CC(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CCNC(=O)c1ccco1 ZINC001302938977 1067512582 /nfs/dbraw/zinc/51/25/82/1067512582.db2.gz VMHNGXSUYZWIRX-UHFFFAOYSA-N 1 0 475.597 3.084 20 30 JGEDRO N#C[C@]1(F)CCN(c2nnc(-c3ccccc3Br)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001302979210 1067544855 /nfs/dbraw/zinc/54/48/55/1067544855.db2.gz OQQCVNUKXKMQSY-HTAPYJJXSA-N 1 0 491.409 3.386 20 30 JGEDRO N#Cc1ccc(C[N@H+]2CCCN(c3nnc(Cc4cccnc4)n3CCCCCO)CC2)cc1 ZINC001302991168 1067552726 /nfs/dbraw/zinc/55/27/26/1067552726.db2.gz CJIMWKFSYRHQMH-UHFFFAOYSA-N 1 0 459.598 3.010 20 30 JGEDRO N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC001302993900 1067554555 /nfs/dbraw/zinc/55/45/55/1067554555.db2.gz HKNUJKNWLXADFX-WOJBJXKFSA-N 1 0 492.546 3.354 20 30 JGEDRO N#CCC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[NH+]2CCCC2)CC1 ZINC001303008759 1067563308 /nfs/dbraw/zinc/56/33/08/1067563308.db2.gz AHIMPFGXVRYZHI-UHFFFAOYSA-N 1 0 470.021 3.477 20 30 JGEDRO N#CCC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001303014140 1067568510 /nfs/dbraw/zinc/56/85/10/1067568510.db2.gz QISZRFRJEVLJAE-UHFFFAOYSA-N 1 0 473.021 3.487 20 30 JGEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CC1 ZINC001303089455 1067625087 /nfs/dbraw/zinc/62/50/87/1067625087.db2.gz BFRAASVGVVBSOY-UHFFFAOYSA-N 1 0 454.644 3.144 20 30 JGEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001303089497 1067625115 /nfs/dbraw/zinc/62/51/15/1067625115.db2.gz COXOVXLGEWPROV-GOSISDBHSA-N 1 0 455.607 3.360 20 30 JGEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CC1 ZINC001303090161 1067626714 /nfs/dbraw/zinc/62/67/14/1067626714.db2.gz NXDNJZUAPAFUQP-FQEVSTJZSA-N 1 0 486.686 3.444 20 30 JGEDRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC2CCOCC2)CC1 ZINC001303184845 1067718852 /nfs/dbraw/zinc/71/88/52/1067718852.db2.gz WZKKQWLPONAJNF-UHFFFAOYSA-N 1 0 452.603 3.180 20 30 JGEDRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCC2CCOCC2)C1 ZINC001303200689 1067736542 /nfs/dbraw/zinc/73/65/42/1067736542.db2.gz DQTQRSRLDYZJLD-DEOSSOPVSA-N 1 0 466.630 3.426 20 30 JGEDRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(N(C)Cc3cccc(C#N)c3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001303205018 1067742177 /nfs/dbraw/zinc/74/21/77/1067742177.db2.gz PQLTTYXYCGPFJC-IGKIAQTJSA-N 1 0 496.656 3.184 20 30 JGEDRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(N(C)Cc3cccc(C#N)c3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001303205021 1067742334 /nfs/dbraw/zinc/74/23/34/1067742334.db2.gz PQLTTYXYCGPFJC-RPLLCQBOSA-N 1 0 496.656 3.184 20 30 JGEDRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(N(C)Cc3cccc(C#N)c3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001303205028 1067742466 /nfs/dbraw/zinc/74/24/66/1067742466.db2.gz PQLTTYXYCGPFJC-SQHAQQRYSA-N 1 0 496.656 3.184 20 30 JGEDRO CC(C)CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001303227963 1067763689 /nfs/dbraw/zinc/76/36/89/1067763689.db2.gz ZFXOALSKJZRGOM-BJKOFHAPSA-N 1 0 466.630 3.425 20 30 JGEDRO Cc1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)s1 ZINC001304691651 1067764820 /nfs/dbraw/zinc/76/48/20/1067764820.db2.gz OWWNTOILVJIZLT-OAQYLSRUSA-N 1 0 465.627 3.455 20 30 JGEDRO Cc1nn(C)c(N2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3C[C@@H](C)[NH+](C)C)CC2)c1C#N ZINC001304730999 1067803422 /nfs/dbraw/zinc/80/34/22/1067803422.db2.gz KSBOAYXZMDEXGN-LJQANCHMSA-N 1 0 489.672 3.433 20 30 JGEDRO CC(C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001303278501 1067807202 /nfs/dbraw/zinc/80/72/02/1067807202.db2.gz GXJKSXBXJZIRGZ-FQEVSTJZSA-N 1 0 483.617 3.172 20 30 JGEDRO CC(C)[NH+](CCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C ZINC001303297426 1067821332 /nfs/dbraw/zinc/82/13/32/1067821332.db2.gz XGNPCVLLXWKXPY-UHFFFAOYSA-N 1 0 459.602 3.052 20 30 JGEDRO CC(C)[NH+](CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1)C(C)C ZINC001303298304 1067822954 /nfs/dbraw/zinc/82/29/54/1067822954.db2.gz KSIUNZUSJFEFHJ-NRFANRHFSA-N 1 0 469.609 3.238 20 30 JGEDRO CC(C)[NH+](CCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)C(C)C ZINC001303298307 1067823144 /nfs/dbraw/zinc/82/31/44/1067823144.db2.gz KVKBTDDFVFAPQV-RUZDIDTESA-N 1 0 479.673 3.485 20 30 JGEDRO 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1068894975 /nfs/dbraw/zinc/89/49/75/1068894975.db2.gz DUOVNRPSUFKGAG-UYAOXDASSA-N 1 0 475.638 3.057 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001305621299 1068907692 /nfs/dbraw/zinc/90/76/92/1068907692.db2.gz VWPOQXWXNPGYAY-PMACEKPBSA-N 1 0 491.619 3.115 20 30 JGEDRO CC[C@@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 ZINC001305623634 1068914864 /nfs/dbraw/zinc/91/48/64/1068914864.db2.gz ZBQMXUSAJYBPJQ-ZJSXRUAMSA-N 1 0 477.657 3.462 20 30 JGEDRO CC[C@@H](C)[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001305623610 1068915199 /nfs/dbraw/zinc/91/51/99/1068915199.db2.gz MQJXPBUZRUNXFQ-XMSQKQJNSA-N 1 0 455.582 3.197 20 30 JGEDRO CC[C@@H](C)NC(=O)CCn1c(-c2cccnc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001305634426 1068943518 /nfs/dbraw/zinc/94/35/18/1068943518.db2.gz OECVSVWPLBEWOM-OAQYLSRUSA-N 1 0 486.624 3.229 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1)[NH+](C)C ZINC001305703709 1069087915 /nfs/dbraw/zinc/08/79/15/1069087915.db2.gz JEDFAORTLXOTKT-SJLPKXTDSA-N 1 0 464.412 3.131 20 30 JGEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001305707944 1069099322 /nfs/dbraw/zinc/09/93/22/1069099322.db2.gz IDAROMQVRZYXDL-ZEQRLZLVSA-N 1 0 494.640 3.343 20 30 JGEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC)C(=O)C1)[NH+]1CCOCC1 ZINC001305709157 1069103255 /nfs/dbraw/zinc/10/32/55/1069103255.db2.gz OBBVNSAFKHNRSF-DEOSSOPVSA-N 1 0 493.656 3.012 20 30 JGEDRO CCC(CC)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1)[NH+]1CCOCC1 ZINC001305715722 1069120878 /nfs/dbraw/zinc/12/08/78/1069120878.db2.gz OASQHJYNQXCTJW-SSGKUCQKSA-N 1 0 488.677 3.062 20 30 JGEDRO CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1)[NH+]1CCOCC1 ZINC001305715721 1069121191 /nfs/dbraw/zinc/12/11/91/1069121191.db2.gz OASQHJYNQXCTJW-GSPCLOLRSA-N 1 0 488.677 3.062 20 30 JGEDRO CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001305724160 1069138497 /nfs/dbraw/zinc/13/84/97/1069138497.db2.gz SDNSPRFWGYWKRX-MOPGFXCFSA-N 1 0 451.619 3.239 20 30 JGEDRO Cc1nc(Cl)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1C#N ZINC001164684648 719669094 /nfs/dbraw/zinc/66/90/94/719669094.db2.gz UZRGELBPSOVQCQ-GOSISDBHSA-N 1 0 467.017 3.404 20 30 JGEDRO C=CCNC(=O)c1cccnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680692 719677176 /nfs/dbraw/zinc/67/71/76/719677176.db2.gz GZGZFIXSWSROIL-NRFANRHFSA-N 1 0 475.637 3.091 20 30 JGEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164707091 719898607 /nfs/dbraw/zinc/89/86/07/719898607.db2.gz NIORRHHFTFERCH-IBGZPJMESA-N 1 0 477.590 3.343 20 30 JGEDRO CSc1nc(Cl)c(C=NO)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834732 720523025 /nfs/dbraw/zinc/52/30/25/720523025.db2.gz HKAVYSHWZNHHSI-HLLBOEOZSA-N 1 0 450.012 3.234 20 30 JGEDRO CSc1nc(Cl)c(C=NO)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164834733 720523292 /nfs/dbraw/zinc/52/32/92/720523292.db2.gz HKAVYSHWZNHHSI-YQQAZPJKSA-N 1 0 450.012 3.234 20 30 JGEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745252 720837566 /nfs/dbraw/zinc/83/75/66/720837566.db2.gz NBOGGUDIBZOQAQ-XPWALMASSA-N 1 0 492.700 3.068 20 30 JGEDRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(-c4cccc(C#N)c4)nnc3Cl)CC[C@@H]2C1 ZINC001164861005 720892449 /nfs/dbraw/zinc/89/24/49/720892449.db2.gz XCFQWOFALZDWJI-WIYYLYMNSA-N 1 0 477.943 3.387 20 30 JGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164769967 721159770 /nfs/dbraw/zinc/15/97/70/721159770.db2.gz QTWVXQVJCUGVLI-WBVHZDCISA-N 1 0 478.931 3.020 20 30 JGEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nn2)cc1 ZINC001164889984 721386314 /nfs/dbraw/zinc/38/63/14/721386314.db2.gz NEBAQCMTEMDWQZ-DXBVXKBHSA-N 1 0 460.626 3.206 20 30 JGEDRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001305793867 1069310565 /nfs/dbraw/zinc/31/05/65/1069310565.db2.gz GIXSPLGHWCZTHT-MBSDFSHPSA-N 1 0 479.629 3.129 20 30 JGEDRO CC[C@H](Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@](F)(C#N)C1)[N@@H+]1CCc2ccccc2C1 ZINC001305805431 1069332211 /nfs/dbraw/zinc/33/22/11/1069332211.db2.gz BRMSVQVGOJBRNL-OPJGWUQDSA-N 1 0 470.593 3.281 20 30 JGEDRO CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)[NH+]1CCCC1 ZINC001305818027 1069352645 /nfs/dbraw/zinc/35/26/45/1069352645.db2.gz LDYIWBJKYHQQII-REWPJTCUSA-N 1 0 463.630 3.384 20 30 JGEDRO CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)OC ZINC001305842074 1069390568 /nfs/dbraw/zinc/39/05/68/1069390568.db2.gz NAQWMLXULVNXGZ-XMMPIXPASA-N 1 0 459.598 3.273 20 30 JGEDRO CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC#N)CC1)[NH+]1CCCC1 ZINC001305845296 1069394954 /nfs/dbraw/zinc/39/49/54/1069394954.db2.gz BXFMMJWRYZSWAA-IBGZPJMESA-N 1 0 455.632 3.274 20 30 JGEDRO CC[C@]1(C)CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)O1 ZINC001305875184 1069428330 /nfs/dbraw/zinc/42/83/30/1069428330.db2.gz WJHRDKBYJNTOMT-UVWWXKGLSA-N 1 0 482.629 3.233 20 30 JGEDRO CC[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001305878411 1069431658 /nfs/dbraw/zinc/43/16/58/1069431658.db2.gz CYQXOESLHFXSGS-BWKNWUBXSA-N 1 0 452.603 3.202 20 30 JGEDRO CN(CC1CCCC1)c1nnc(COc2ccc(C#N)cc2)n1CCC[NH+]1CCC(O)CC1 ZINC001298528892 1064294678 /nfs/dbraw/zinc/29/46/78/1064294678.db2.gz QJMJIOLPVYUNQB-UHFFFAOYSA-N 1 0 452.603 3.202 20 30 JGEDRO C[N@H+](CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 ZINC001298666595 1064444309 /nfs/dbraw/zinc/44/43/09/1064444309.db2.gz HWIVPNGLNZXGLL-NRFANRHFSA-N 1 0 453.547 3.237 20 30 JGEDRO C[N@H+](CCCNC(=O)OC(C)(C)C)CCCn1c([C@H]2CCCO2)nnc1N1CCC(C#N)CC1 ZINC001298683519 1064476782 /nfs/dbraw/zinc/47/67/82/1064476782.db2.gz OJZAGBSRAXBRCB-HXUWFJFHSA-N 1 0 475.638 3.106 20 30 JGEDRO CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001298775859 1064582043 /nfs/dbraw/zinc/58/20/43/1064582043.db2.gz XXBDWWKOHRMAKS-UHFFFAOYSA-N 1 0 498.678 3.271 20 30 JGEDRO C[N@@H+]1CC[C@](O)(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001298881689 1064687404 /nfs/dbraw/zinc/68/74/04/1064687404.db2.gz ISQSJIAEUBHABU-JOCHJYFZSA-N 1 0 479.412 3.361 20 30 JGEDRO C[N@@H+]1CC[C@@](O)(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCC[C@](C)(C#N)C2)C1 ZINC001298882699 1064689416 /nfs/dbraw/zinc/68/94/16/1064689416.db2.gz YRYPSNTUBGZSLH-YADHBBJMSA-N 1 0 479.412 3.361 20 30 JGEDRO C[N@@H+]1CC[C@@](O)(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CCC[C@@](C)(C#N)C2)C1 ZINC001298882697 1064689481 /nfs/dbraw/zinc/68/94/81/1064689481.db2.gz YRYPSNTUBGZSLH-VXKWHMMOSA-N 1 0 479.412 3.361 20 30 JGEDRO C[N@@H+]1CCN(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N(CCC#N)CC2CC2)CC1(C)C ZINC001298895592 1064703023 /nfs/dbraw/zinc/70/30/23/1064703023.db2.gz BQNCNRXLPSBMGZ-UHFFFAOYSA-N 1 0 466.590 3.009 20 30 JGEDRO CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001299772257 1064970529 /nfs/dbraw/zinc/97/05/29/1064970529.db2.gz FJOXESPDHLMFSN-VWLOTQADSA-N 1 0 482.629 3.235 20 30 JGEDRO COc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2([NH+](C)C)CCCC2)cc(OC)c1OC ZINC001299836910 1065029661 /nfs/dbraw/zinc/02/96/61/1065029661.db2.gz JNYSAOWRBUHQNX-KRWDZBQOSA-N 1 0 456.591 3.441 20 30 JGEDRO COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)ccc1OC(C)C ZINC001299857044 1065066045 /nfs/dbraw/zinc/06/60/45/1065066045.db2.gz IPFIACJLKLKWCF-TZIWHRDSSA-N 1 0 468.602 3.202 20 30 JGEDRO COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[N@@H+]2CCC[C@H](C)C2)ccc1OC(C)C ZINC001299857043 1065066140 /nfs/dbraw/zinc/06/61/40/1065066140.db2.gz IPFIACJLKLKWCF-PZJWPPBQSA-N 1 0 468.602 3.202 20 30 JGEDRO COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)ccc1OC(C)C ZINC001299857041 1065066201 /nfs/dbraw/zinc/06/62/01/1065066201.db2.gz IPFIACJLKLKWCF-CTNGQTDRSA-N 1 0 468.602 3.202 20 30 JGEDRO COc1ccc(Br)c(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001299967479 1065250499 /nfs/dbraw/zinc/25/04/99/1065250499.db2.gz POCPVGAYBRTSJD-INIZCTEOSA-N 1 0 491.434 3.423 20 30 JGEDRO COc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(CC#N)CC2)[NH+]2CCCC2)cc1 ZINC001299987057 1065288972 /nfs/dbraw/zinc/28/89/72/1065288972.db2.gz OWDVAQFNMYQYOL-HSZRJFAPSA-N 1 0 479.629 3.392 20 30 JGEDRO COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC001299992753 1065300106 /nfs/dbraw/zinc/30/01/06/1065300106.db2.gz SRZZTMPTPYNFJU-GUDVDZBRSA-N 1 0 456.591 3.200 20 30 JGEDRO COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC001299998119 1065309630 /nfs/dbraw/zinc/30/96/30/1065309630.db2.gz ZCYWRCYTMHCBKQ-QRVBRYPASA-N 1 0 470.618 3.446 20 30 JGEDRO Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC001492344804 1065459587 /nfs/dbraw/zinc/45/95/87/1065459587.db2.gz QZMBOVRFNBWXNL-XMMPIXPASA-N 1 0 493.656 3.157 20 30 JGEDRO Cc1ccc(SCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001492460200 1065508838 /nfs/dbraw/zinc/50/88/38/1065508838.db2.gz REEDELLGXHNMRV-PXDATVDWSA-N 1 0 499.660 3.264 20 30 JGEDRO C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+](CC)C(C)C ZINC001300805893 1065538204 /nfs/dbraw/zinc/53/82/04/1065538204.db2.gz KMQAAUWKMHWLBO-NBGIEHNGSA-N 1 0 474.650 3.309 20 30 JGEDRO C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001300824302 1065552453 /nfs/dbraw/zinc/55/24/53/1065552453.db2.gz QWPHDJXLYABBKJ-ROUUACIJSA-N 1 0 467.456 3.416 20 30 JGEDRO C=C(Br)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001300829920 1065560282 /nfs/dbraw/zinc/56/02/82/1065560282.db2.gz MQTNNVLBIJKLSG-SFHVURJKSA-N 1 0 494.459 3.322 20 30 JGEDRO C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001300829861 1065560327 /nfs/dbraw/zinc/56/03/27/1065560327.db2.gz LTAMOLLGVQDUAT-QGZVFWFLSA-N 1 0 491.390 3.311 20 30 JGEDRO C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001300830741 1065562386 /nfs/dbraw/zinc/56/23/86/1065562386.db2.gz KCWJJCOVYNZACZ-RDJZCZTQSA-N 1 0 456.429 3.221 20 30 JGEDRO C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001300830742 1065562594 /nfs/dbraw/zinc/56/25/94/1065562594.db2.gz KCWJJCOVYNZACZ-WBVHZDCISA-N 1 0 456.429 3.221 20 30 JGEDRO C=C(Br)Cn1c(-c2ccccn2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001300837809 1065573668 /nfs/dbraw/zinc/57/36/68/1065573668.db2.gz VVMNSYXPEDLKEU-UHFFFAOYSA-N 1 0 489.340 3.340 20 30 JGEDRO C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001300872065 1065645382 /nfs/dbraw/zinc/64/53/82/1065645382.db2.gz FBCGDWQZMMQVTR-GIWBLDEGSA-N 1 0 472.678 3.490 20 30 JGEDRO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001300873587 1065650187 /nfs/dbraw/zinc/65/01/87/1065650187.db2.gz KFNJQFHIAUQACG-IRLDBZIGSA-N 1 0 481.645 3.465 20 30 JGEDRO C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001300895779 1065686856 /nfs/dbraw/zinc/68/68/56/1065686856.db2.gz VRYKFSZOXQBVEU-UHFFFAOYSA-N 1 0 458.651 3.340 20 30 JGEDRO C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001300899789 1065695775 /nfs/dbraw/zinc/69/57/75/1065695775.db2.gz IRKXZPJGTHUVKU-QRVBRYPASA-N 1 0 454.685 3.047 20 30 JGEDRO C=C(C)CN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001300905161 1065705174 /nfs/dbraw/zinc/70/51/74/1065705174.db2.gz LAGNTBPNJKBABJ-OAQYLSRUSA-N 1 0 474.675 3.472 20 30 JGEDRO C=C(C)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001300944733 1065747544 /nfs/dbraw/zinc/74/75/44/1065747544.db2.gz HXPIJRNVENTYCR-OAQYLSRUSA-N 1 0 482.629 3.061 20 30 JGEDRO C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001300950912 1065754686 /nfs/dbraw/zinc/75/46/86/1065754686.db2.gz RCUFGDCXKNMLMN-KSEOMHKRSA-N 1 0 457.644 3.246 20 30 JGEDRO COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001300959260 1065766943 /nfs/dbraw/zinc/76/69/43/1065766943.db2.gz SSRJKSTXDPBLCL-WNOPAQSVSA-N 1 0 476.629 3.352 20 30 JGEDRO C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001300962699 1065770764 /nfs/dbraw/zinc/77/07/64/1065770764.db2.gz AWGVPQJIFBOMKE-UHFFFAOYSA-N 1 0 461.010 3.077 20 30 JGEDRO C=C(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC001300970371 1065779434 /nfs/dbraw/zinc/77/94/34/1065779434.db2.gz RHYBCEWZFRQGGL-ZCNNSNEGSA-N 1 0 462.639 3.172 20 30 JGEDRO C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001300973024 1065782175 /nfs/dbraw/zinc/78/21/75/1065782175.db2.gz ULQFIABMPRTUSR-NQIIRXRSSA-N 1 0 473.021 3.127 20 30 JGEDRO C=C(C)COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001300973023 1065782398 /nfs/dbraw/zinc/78/23/98/1065782398.db2.gz ULQFIABMPRTUSR-GHTZIAJQSA-N 1 0 473.021 3.127 20 30 JGEDRO C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001300974667 1065784181 /nfs/dbraw/zinc/78/41/81/1065784181.db2.gz KNYNTWQLJJSUON-NRFANRHFSA-N 1 0 473.643 3.006 20 30 JGEDRO C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001300991348 1065807145 /nfs/dbraw/zinc/80/71/45/1065807145.db2.gz RCKSIOPAYMDELJ-NJYVYQBISA-N 1 0 492.665 3.098 20 30 JGEDRO C=C(C)COCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC=C(C)CC1 ZINC001300997344 1065815949 /nfs/dbraw/zinc/81/59/49/1065815949.db2.gz VDRRJILUWSRYAA-UHFFFAOYSA-N 1 0 450.631 3.392 20 30 JGEDRO C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001301000213 1065822465 /nfs/dbraw/zinc/82/24/65/1065822465.db2.gz MWRSXZONAZQQQK-UHFFFAOYSA-N 1 0 472.659 3.317 20 30 JGEDRO C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001301051189 1065899175 /nfs/dbraw/zinc/89/91/75/1065899175.db2.gz ZXXOIMUFTXHMBD-NRFANRHFSA-N 1 0 460.022 3.373 20 30 JGEDRO C=C(Cl)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001301055469 1065905809 /nfs/dbraw/zinc/90/58/09/1065905809.db2.gz LDHKTQSRVCOHAH-HXUWFJFHSA-N 1 0 475.037 3.223 20 30 JGEDRO C=C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001301086670 1065936955 /nfs/dbraw/zinc/93/69/55/1065936955.db2.gz MSKMFDOIDOTALY-UYAOXDASSA-N 1 0 460.623 3.226 20 30 JGEDRO C=C1CCN(c2nnc(COc3ccccc3F)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001301095899 1065943116 /nfs/dbraw/zinc/94/31/16/1065943116.db2.gz QTKOSSXGOBRGAU-UHFFFAOYSA-N 1 0 456.610 3.426 20 30 JGEDRO C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001301111712 1065956951 /nfs/dbraw/zinc/95/69/51/1065956951.db2.gz BULVFYPSQLPSBD-LJQANCHMSA-N 1 0 457.644 3.483 20 30 JGEDRO C=CC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001301124125 1065965256 /nfs/dbraw/zinc/96/52/56/1065965256.db2.gz GFBRLRQHVKFVNF-PZJWPPBQSA-N 1 0 474.650 3.473 20 30 JGEDRO C=CCC(C)(C)Cn1c(N2CCC[N@H+](Cc3cnn(C)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001301158733 1065994746 /nfs/dbraw/zinc/99/47/46/1065994746.db2.gz ODNTYRAXAINSBW-AREMUKBSSA-N 1 0 485.677 3.367 20 30 JGEDRO C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001301175635 1066008556 /nfs/dbraw/zinc/00/85/56/1066008556.db2.gz GQKDCUBKDIYRRC-FQEVSTJZSA-N 1 0 487.670 3.394 20 30 JGEDRO C=CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001301176237 1066009097 /nfs/dbraw/zinc/00/90/97/1066009097.db2.gz TZEVIHITPSBOJL-QHCPKHFHSA-N 1 0 482.629 3.061 20 30 JGEDRO C=CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001301203166 1066027597 /nfs/dbraw/zinc/02/75/97/1066027597.db2.gz UQLNZKVSKCLKFB-FQEVSTJZSA-N 1 0 470.593 3.268 20 30 JGEDRO COC[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC[NH+](CCN(C)C)CC2)C1 ZINC001301235504 1066053111 /nfs/dbraw/zinc/05/31/11/1066053111.db2.gz ANQMXANVFWJINZ-DEOSSOPVSA-N 1 0 479.673 3.343 20 30 JGEDRO COC[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001301239209 1066056661 /nfs/dbraw/zinc/05/66/61/1066056661.db2.gz UBOSSNGGKOWOFX-UPVQGACJSA-N 1 0 493.656 3.012 20 30 JGEDRO C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001301238860 1066056718 /nfs/dbraw/zinc/05/67/18/1066056718.db2.gz FSDKIBVJMPDUEL-UHFFFAOYSA-N 1 0 452.603 3.414 20 30 JGEDRO C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001301249391 1066066633 /nfs/dbraw/zinc/06/66/33/1066066633.db2.gz SZOGXWYYSPUMQY-UHFFFAOYSA-N 1 0 467.662 3.236 20 30 JGEDRO C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001301271254 1066084478 /nfs/dbraw/zinc/08/44/78/1066084478.db2.gz QFWNWUMDJJYKCB-BVAGGSTKSA-N 1 0 469.630 3.232 20 30 JGEDRO C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001301289528 1066097024 /nfs/dbraw/zinc/09/70/24/1066097024.db2.gz KCHNRLOFFHSXNQ-UHFFFAOYSA-N 1 0 479.629 3.187 20 30 JGEDRO C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001301295260 1066100624 /nfs/dbraw/zinc/10/06/24/1066100624.db2.gz XFUDXLIPNJWWGC-IBGZPJMESA-N 1 0 462.639 3.126 20 30 JGEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001301339277 1066128337 /nfs/dbraw/zinc/12/83/37/1066128337.db2.gz LENGOMWHQOHXCP-AWRGLXIESA-N 1 0 496.681 3.365 20 30 JGEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001301340538 1066129952 /nfs/dbraw/zinc/12/99/52/1066129952.db2.gz HQGRVLSLCWLHAQ-NRFANRHFSA-N 1 0 457.582 3.373 20 30 JGEDRO C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001301340539 1066130091 /nfs/dbraw/zinc/13/00/91/1066130091.db2.gz HQGRVLSLCWLHAQ-OAQYLSRUSA-N 1 0 457.582 3.373 20 30 JGEDRO COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001301340815 1066130581 /nfs/dbraw/zinc/13/05/81/1066130581.db2.gz HIEGXRMEFLZKJB-HXUWFJFHSA-N 1 0 452.603 3.323 20 30 JGEDRO C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001301340674 1066130598 /nfs/dbraw/zinc/13/05/98/1066130598.db2.gz BKNCEEZLYMNELZ-VXKWHMMOSA-N 1 0 466.630 3.206 20 30 JGEDRO C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001301349837 1066139993 /nfs/dbraw/zinc/13/99/93/1066139993.db2.gz SXMCKTSIBUJBCA-QFIPXVFZSA-N 1 0 466.630 3.311 20 30 JGEDRO C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001301349498 1066140083 /nfs/dbraw/zinc/14/00/83/1066140083.db2.gz OIBJDXAQFKIAEO-UNMCSNQZSA-N 1 0 457.644 3.105 20 30 JGEDRO C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001301351327 1066141210 /nfs/dbraw/zinc/14/12/10/1066141210.db2.gz PTUUUTAHDKYRFY-FGZHOGPDSA-N 1 0 457.594 3.471 20 30 JGEDRO COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001301361975 1066156564 /nfs/dbraw/zinc/15/65/64/1066156564.db2.gz VBOVWJNYPDNWRH-GOTSBHOMSA-N 1 0 452.603 3.179 20 30 JGEDRO C=CC[NH+](CC=C)[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCNC(=O)C1)C(C)C ZINC001301367019 1066160580 /nfs/dbraw/zinc/16/05/80/1066160580.db2.gz JRXLXATZUXLTBQ-FQEVSTJZSA-N 1 0 487.446 3.342 20 30 JGEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCc2c(cc[nH]c2=O)C1)C(C)C ZINC001301367194 1066160864 /nfs/dbraw/zinc/16/08/64/1066160864.db2.gz LKUQUORKKDONBG-IFMALSPDSA-N 1 0 452.603 3.144 20 30 JGEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1)C(C)C ZINC001301367592 1066161424 /nfs/dbraw/zinc/16/14/24/1066161424.db2.gz QVAUDIXXBJLBRT-DRLORSAXSA-N 1 0 473.662 3.255 20 30 JGEDRO C=CC[NH+](CC=C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[C@@H](C)C1)C(C)C ZINC001301367602 1066161432 /nfs/dbraw/zinc/16/14/32/1066161432.db2.gz QXNCLLYOJKEHOE-FNAHDJPLSA-N 1 0 463.692 3.361 20 30 JGEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CC[C@]2(C1)CCCOC2)C(C)C ZINC001301368158 1066162182 /nfs/dbraw/zinc/16/21/82/1066162182.db2.gz YCMBZOKRXLTVMU-RDGATRHJSA-N 1 0 451.619 3.441 20 30 JGEDRO C=CC[NH+](CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1)C(C)C ZINC001301368260 1066162511 /nfs/dbraw/zinc/16/25/11/1066162511.db2.gz ZRPIJIJDJWYFTE-WHSBFGAESA-N 1 0 466.630 3.423 20 30 JGEDRO COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001301373988 1066167733 /nfs/dbraw/zinc/16/77/33/1066167733.db2.gz KNMLECSFMLOBGQ-NFBKMPQASA-N 1 0 452.603 3.180 20 30 JGEDRO COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001301374002 1066167740 /nfs/dbraw/zinc/16/77/40/1066167740.db2.gz KNMLECSFMLOBGQ-OFNKIYASSA-N 1 0 452.603 3.180 20 30 JGEDRO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001301435786 1066235854 /nfs/dbraw/zinc/23/58/54/1066235854.db2.gz RKCOVQJVYREREV-CALCHBBNSA-N 1 0 462.440 3.217 20 30 JGEDRO C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001301436102 1066236632 /nfs/dbraw/zinc/23/66/32/1066236632.db2.gz NHOZFNSUOPEZEC-NRFANRHFSA-N 1 0 486.686 3.330 20 30 JGEDRO C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001301954534 1066257575 /nfs/dbraw/zinc/25/75/75/1066257575.db2.gz YOERHHVCXWNZHP-ZWKOTPCHSA-N 1 0 458.010 3.189 20 30 JGEDRO C[C@H](C#N)CN(C)c1nnc(-c2cccc(Br)c2)n1CCC[NH+]1CCC(O)CC1 ZINC001301957174 1066261658 /nfs/dbraw/zinc/26/16/58/1066261658.db2.gz UHOPPJONZFMBFS-MRXNPFEDSA-N 1 0 461.408 3.150 20 30 JGEDRO C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001301957566 1066263066 /nfs/dbraw/zinc/26/30/66/1066263066.db2.gz YFBNWQTUANXVHD-KUHUBIRLSA-N 1 0 466.453 3.079 20 30 JGEDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@@H](C)C#N)C1 ZINC001301957557 1066263137 /nfs/dbraw/zinc/26/31/37/1066263137.db2.gz YALPJWGUXYIRRO-OALUTQOASA-N 1 0 458.632 3.065 20 30 JGEDRO C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001301960427 1066264225 /nfs/dbraw/zinc/26/42/25/1066264225.db2.gz QBPBZJUHYXLXTR-RBUKOAKNSA-N 1 0 462.606 3.027 20 30 JGEDRO 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CC(C)C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@@](C)(C#N)C1)[NH+](C)C ZINC001302816302 1067403195 /nfs/dbraw/zinc/40/31/95/1067403195.db2.gz GLCZVKIWEQQTEX-BCHFMIIMSA-N 1 0 476.629 3.298 20 30 JGEDRO CC(C)C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC#N)CC1)[NH+](C)C ZINC001302824272 1067412802 /nfs/dbraw/zinc/41/28/02/1067412802.db2.gz YNASUROTUXUSDW-LJQANCHMSA-N 1 0 457.648 3.376 20 30 JGEDRO Cc1cccc(-c2nnc(N(C)Cc3cccc(C#N)c3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001304457055 1067537518 /nfs/dbraw/zinc/53/75/18/1067537518.db2.gz WMTYTQMPSZAAPC-XMMPIXPASA-N 1 0 486.624 3.099 20 30 JGEDRO N#Cc1cccc(-c2nnc(N3CC[NH+](CC4CC4)CC3)n2CCOCC(F)(F)C(F)F)c1 ZINC001302985688 1067548161 /nfs/dbraw/zinc/54/81/61/1067548161.db2.gz AMYPELKCIQNHGD-UHFFFAOYSA-N 1 0 466.483 3.266 20 30 JGEDRO N#Cc1ccc(-c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC[N@H+]2CC=CCC2)cc1 ZINC001302989336 1067550412 /nfs/dbraw/zinc/55/04/12/1067550412.db2.gz KMDJZWPGPINGRN-UHFFFAOYSA-N 1 0 459.520 3.153 20 30 JGEDRO N#Cc1ccc(C[N@H+]2CCCN(c3nnc([C@H]4CCCOC4)n3CCCCCCO)CC2)cc1 ZINC001302991399 1067552750 /nfs/dbraw/zinc/55/27/50/1067552750.db2.gz HSXVYMMALUTJAJ-DEOSSOPVSA-N 1 0 466.630 3.309 20 30 JGEDRO N#Cc1ccc(C[N@H+]2CCCN(c3nnc([C@@H]4CCC(=O)N4)n3CCSC(F)(F)F)CC2)cc1 ZINC001302991714 1067553074 /nfs/dbraw/zinc/55/30/74/1067553074.db2.gz LREFVBOPAALSIY-SFHVURJKSA-N 1 0 493.559 3.066 20 30 JGEDRO N#Cc1ccc(OCc2nnc(N3CCC=C(Br)C3)n2CC[NH+]2CCCC2)cc1 ZINC001302995118 1067555605 /nfs/dbraw/zinc/55/56/05/1067555605.db2.gz VTCPVPTYFJURCJ-UHFFFAOYSA-N 1 0 457.376 3.313 20 30 JGEDRO Cc1cccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001304478451 1067557062 /nfs/dbraw/zinc/55/70/62/1067557062.db2.gz IFRHKTVTMSXWLG-QFIPXVFZSA-N 1 0 473.629 3.218 20 30 JGEDRO Cc1cccc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCNC(=O)C3N=CC=CC3=O)CC2)c1 ZINC001304499343 1067574522 /nfs/dbraw/zinc/57/45/22/1067574522.db2.gz WOUANSOQHFZFPG-IZHYLOQSSA-N 1 0 491.640 3.024 20 30 JGEDRO Cc1cccc(OCc2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001304513028 1067590424 /nfs/dbraw/zinc/59/04/24/1067590424.db2.gz YEXFFNOLOYLOIQ-UHFFFAOYSA-N 1 0 488.640 3.489 20 30 JGEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001303089444 1067625096 /nfs/dbraw/zinc/62/50/96/1067625096.db2.gz AUIYZQCULBWIBN-UHFFFAOYSA-N 1 0 479.673 3.343 20 30 JGEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001303089498 1067625418 /nfs/dbraw/zinc/62/54/18/1067625418.db2.gz COXOVXLGEWPROV-SFHVURJKSA-N 1 0 455.607 3.360 20 30 JGEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CC1 ZINC001303090162 1067626695 /nfs/dbraw/zinc/62/66/95/1067626695.db2.gz NXDNJZUAPAFUQP-HXUWFJFHSA-N 1 0 486.686 3.444 20 30 JGEDRO CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+](C)C2CCCC2)[C@@H](C)C1=O ZINC001303183592 1067716119 /nfs/dbraw/zinc/71/61/19/1067716119.db2.gz LEEUYGDCTXYCEJ-FQEVSTJZSA-N 1 0 463.630 3.384 20 30 JGEDRO CC(C)C[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001303198728 1067734036 /nfs/dbraw/zinc/73/40/36/1067734036.db2.gz JZJBZXRHPBOHLG-UHFFFAOYSA-N 1 0 493.656 3.346 20 30 JGEDRO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001303251617 1067777550 /nfs/dbraw/zinc/77/75/50/1067777550.db2.gz FPOLGFISNHMPIT-HSZRJFAPSA-N 1 0 463.630 3.240 20 30 JGEDRO CC(C)[N@H+](C)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)CC1 ZINC001303261326 1067786969 /nfs/dbraw/zinc/78/69/69/1067786969.db2.gz FFCRDCFGRBTMJO-UHFFFAOYSA-N 1 0 462.602 3.067 20 30 JGEDRO CC(C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC001303269077 1067797239 /nfs/dbraw/zinc/79/72/39/1067797239.db2.gz SSEMSYJAXVBDNR-RTWAWAEBSA-N 1 0 458.570 3.009 20 30 JGEDRO CC(C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 ZINC001303272179 1067801033 /nfs/dbraw/zinc/80/10/33/1067801033.db2.gz ZFFXUSIBDSIPEM-UHFFFAOYSA-N 1 0 463.546 3.103 20 30 JGEDRO Cc1nn(C)c(N2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3C[C@H](C)[NH+](C)C)CC2)c1C#N ZINC001304730997 1067803433 /nfs/dbraw/zinc/80/34/33/1067803433.db2.gz KSBOAYXZMDEXGN-IBGZPJMESA-N 1 0 489.672 3.433 20 30 JGEDRO Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@@H](C)[N@H+](C)Cc3ccccc3)CC2)c1C#N ZINC001304731335 1067804202 /nfs/dbraw/zinc/80/42/02/1067804202.db2.gz OXUBWZUJPLYBSE-OAQYLSRUSA-N 1 0 489.672 3.237 20 30 JGEDRO CC(C)[N@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001303278030 1067805723 /nfs/dbraw/zinc/80/57/23/1067805723.db2.gz ZIFNWJFRCQRSLX-UHFFFAOYSA-N 1 0 463.655 3.464 20 30 JGEDRO CC(C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001303278783 1067807616 /nfs/dbraw/zinc/80/76/16/1067807616.db2.gz PWXIKDPEIPTIGH-UHFFFAOYSA-N 1 0 474.613 3.093 20 30 JGEDRO CC(C)[NH+](CCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C ZINC001303291443 1067815849 /nfs/dbraw/zinc/81/58/49/1067815849.db2.gz OYGJVHNQQAHAGD-UHFFFAOYSA-N 1 0 461.618 3.375 20 30 JGEDRO CC(C)[NH+](CCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C ZINC001303291603 1067816321 /nfs/dbraw/zinc/81/63/21/1067816321.db2.gz KZRVMCVFSIUQHW-UHFFFAOYSA-N 1 0 487.656 3.366 20 30 JGEDRO Cc1cc(C)n(C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)C[NH+](C)C)CCO2)n1 ZINC001304769751 1067860215 /nfs/dbraw/zinc/86/02/15/1067860215.db2.gz IXKYLZLXOLRSEJ-QHCPKHFHSA-N 1 0 476.629 3.123 20 30 JGEDRO CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001303387580 1067915675 /nfs/dbraw/zinc/91/56/75/1067915675.db2.gz ZHYJADTTYAANMC-NLFFAJNJSA-N 1 0 451.619 3.457 20 30 JGEDRO CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001303401926 1067929734 /nfs/dbraw/zinc/92/97/34/1067929734.db2.gz BCRMEIBFNSLLMX-HXUWFJFHSA-N 1 0 496.635 3.018 20 30 JGEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001304910612 1067953640 /nfs/dbraw/zinc/95/36/40/1067953640.db2.gz IEXWNBAORDJQOV-QHAWAJNXSA-N 1 0 493.656 3.152 20 30 JGEDRO 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463.630 3.277 20 30 JGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001304928259 1067975728 /nfs/dbraw/zinc/97/57/28/1067975728.db2.gz USEBYRDORBODMT-GGPKGHCWSA-N 1 0 458.010 3.480 20 30 JGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1 ZINC001304929281 1067977432 /nfs/dbraw/zinc/97/74/32/1067977432.db2.gz UHAHYOWLCYECRI-TXTKFYIRSA-N 1 0 484.670 3.056 20 30 JGEDRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)c2ccco2)CC1 ZINC001303467707 1067986493 /nfs/dbraw/zinc/98/64/93/1067986493.db2.gz FWIRKPKMOHCWFL-RUZDIDTESA-N 1 0 464.570 3.196 20 30 JGEDRO C[C@H]1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CCO1 ZINC001304941750 1067992671 /nfs/dbraw/zinc/99/26/71/1067992671.db2.gz LJQQRWPGPSQCLL-FPOVZHCZSA-N 1 0 452.603 3.464 20 30 JGEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CC1 ZINC001304977465 1068016502 /nfs/dbraw/zinc/01/65/02/1068016502.db2.gz RUIIJTXTVBQEBP-BGYRXZFFSA-N 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DQEOILXBKHYISF-GCJKJVERSA-N 1 0 457.022 3.087 20 30 JGEDRO C[C@@H](C#N)CN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1ccncc1Cl ZINC001301970063 1066276978 /nfs/dbraw/zinc/27/69/78/1066276978.db2.gz BXHHOQKSVAPZPP-FQEVSTJZSA-N 1 0 479.032 3.335 20 30 JGEDRO C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001301475463 1066299095 /nfs/dbraw/zinc/29/90/95/1066299095.db2.gz RRSZZAOBKZHBNE-FGZHOGPDSA-N 1 0 472.678 3.201 20 30 JGEDRO C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001301492079 1066315745 /nfs/dbraw/zinc/31/57/45/1066315745.db2.gz WVIAPUJHINUCMU-UHFFFAOYSA-N 1 0 475.435 3.320 20 30 JGEDRO C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001301493163 1066318212 /nfs/dbraw/zinc/31/82/12/1066318212.db2.gz VIQORPDQGJXLAP-OAQYLSRUSA-N 1 0 496.656 3.213 20 30 JGEDRO C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001301515353 1066343693 /nfs/dbraw/zinc/34/36/93/1066343693.db2.gz SSBXLBILHPUABP-UHFFFAOYSA-N 1 0 481.428 3.433 20 30 JGEDRO C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001301530436 1066358734 /nfs/dbraw/zinc/35/87/34/1066358734.db2.gz UUFBXIWBSHMVPS-UHFFFAOYSA-N 1 0 452.603 3.094 20 30 JGEDRO C=CCO[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001301534430 1066361448 /nfs/dbraw/zinc/36/14/48/1066361448.db2.gz APBPGNVGPULXFV-JOCHJYFZSA-N 1 0 487.048 3.375 20 30 JGEDRO CC(C)(C)[C@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001302026104 1066385855 /nfs/dbraw/zinc/38/58/55/1066385855.db2.gz AYQSRBQIDSJWNW-AMGIVPHBSA-N 1 0 496.656 3.217 20 30 JGEDRO COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001302026538 1066386889 /nfs/dbraw/zinc/38/68/89/1066386889.db2.gz GZABGIHHNKESFA-ZILOHOTNSA-N 1 0 456.566 3.281 20 30 JGEDRO C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001301564949 1066389013 /nfs/dbraw/zinc/38/90/13/1066389013.db2.gz BJGPHPHZKZIQBO-FQEVSTJZSA-N 1 0 473.593 3.013 20 30 JGEDRO C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CC=CCC2)C1 ZINC001301568097 1066393551 /nfs/dbraw/zinc/39/35/51/1066393551.db2.gz NTVLDPIPBJBXDD-SFTDATJTSA-N 1 0 472.634 3.393 20 30 JGEDRO CC(C)(C)c1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001302032650 1066400046 /nfs/dbraw/zinc/40/00/46/1066400046.db2.gz SEIFMNVCZMAPLT-SANMLTNESA-N 1 0 484.620 3.443 20 30 JGEDRO C=CCS(=O)(=O)CCn1c(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)nnc1C(C)(C)C ZINC001301593915 1066435320 /nfs/dbraw/zinc/43/53/20/1066435320.db2.gz XNUYFEYAEWRLBV-OAQYLSRUSA-N 1 0 459.660 3.135 20 30 JGEDRO C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)nnc1C(C)(C)C ZINC001301596313 1066438535 /nfs/dbraw/zinc/43/85/35/1066438535.db2.gz LECLSWAZMXUPNP-PMACEKPBSA-N 1 0 451.681 3.267 20 30 JGEDRO C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001301601945 1066446028 /nfs/dbraw/zinc/44/60/28/1066446028.db2.gz VHMHDYYPJJYCAP-UHFFFAOYSA-N 1 0 472.615 3.321 20 30 JGEDRO C=CCSCCn1c(-c2ccccn2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001301603930 1066449053 /nfs/dbraw/zinc/44/90/53/1066449053.db2.gz KDCXBZIFMVIRGX-UHFFFAOYSA-N 1 0 455.676 3.254 20 30 JGEDRO C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001301606062 1066451010 /nfs/dbraw/zinc/45/10/10/1066451010.db2.gz IHFDZERBIXEFNC-UHFFFAOYSA-N 1 0 477.704 3.124 20 30 JGEDRO COCCC[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001301607097 1066453636 /nfs/dbraw/zinc/45/36/36/1066453636.db2.gz IXEFZNIMXROSOQ-JOCHJYFZSA-N 1 0 497.644 3.231 20 30 JGEDRO COCCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001301607470 1066454432 /nfs/dbraw/zinc/45/44/32/1066454432.db2.gz MPXDNOFFXOJSHP-QFIPXVFZSA-N 1 0 497.644 3.231 20 30 JGEDRO C=CCSCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001301623846 1066482871 /nfs/dbraw/zinc/48/28/71/1066482871.db2.gz OOIOBSFAZRYVMA-GBESFXJTSA-N 1 0 464.680 3.498 20 30 JGEDRO C=CCSCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001301624261 1066482895 /nfs/dbraw/zinc/48/28/95/1066482895.db2.gz SYSIYWAOPAJJKH-PMACEKPBSA-N 1 0 494.706 3.426 20 30 JGEDRO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001301643638 1066507989 /nfs/dbraw/zinc/50/79/89/1066507989.db2.gz FSHLUEAJRSSSJU-UHFFFAOYSA-N 1 0 479.629 3.050 20 30 JGEDRO COCCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001301676923 1066558651 /nfs/dbraw/zinc/55/86/51/1066558651.db2.gz QQMREPWVBGCDTO-UHFFFAOYSA-N 1 0 452.603 3.323 20 30 JGEDRO CC(=O)N1CCC[C@@H](Cn2c(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)nnc2C(C)(C)C)C1 ZINC001301690370 1066577556 /nfs/dbraw/zinc/57/75/56/1066577556.db2.gz XJTDQUGDHYDZDR-XMMPIXPASA-N 1 0 477.657 3.418 20 30 JGEDRO CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001301703325 1066591960 /nfs/dbraw/zinc/59/19/60/1066591960.db2.gz DFDBXSXQFFGYJD-OAQYLSRUSA-N 1 0 479.629 3.052 20 30 JGEDRO COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001302151950 1066604028 /nfs/dbraw/zinc/60/40/28/1066604028.db2.gz OSMLMAQMCMWCAC-FCHUYYIVSA-N 1 0 464.570 3.344 20 30 JGEDRO COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001302169230 1066637787 /nfs/dbraw/zinc/63/77/87/1066637787.db2.gz LPYMVOMPIRCZMR-REWPJTCUSA-N 1 0 452.603 3.323 20 30 JGEDRO COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001302175952 1066649818 /nfs/dbraw/zinc/64/98/18/1066649818.db2.gz ZKJWFGSZMZSSDD-REWPJTCUSA-N 1 0 452.603 3.323 20 30 JGEDRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1 ZINC001302191268 1066674295 /nfs/dbraw/zinc/67/42/95/1066674295.db2.gz XOLNFCPTRHDZKF-QFIPXVFZSA-N 1 0 452.603 3.180 20 30 JGEDRO COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001302197687 1066688371 /nfs/dbraw/zinc/68/83/71/1066688371.db2.gz VYRUONNEGDQMCV-MQSCRBSSSA-N 1 0 496.656 3.194 20 30 JGEDRO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)[C@H](C)C1 ZINC001301759785 1066697383 /nfs/dbraw/zinc/69/73/83/1066697383.db2.gz PHPIMXXVPCPUBC-ISCCLHIJSA-N 1 0 493.656 3.296 20 30 JGEDRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001302202457 1066697901 /nfs/dbraw/zinc/69/79/01/1066697901.db2.gz GPXWZCOFCBIPPG-HXUWFJFHSA-N 1 0 491.562 3.000 20 30 JGEDRO COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001301772489 1066715915 /nfs/dbraw/zinc/71/59/15/1066715915.db2.gz JGPKSBYRJNOWAZ-UHFFFAOYSA-N 1 0 493.656 3.303 20 30 JGEDRO COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001301773800 1066718802 /nfs/dbraw/zinc/71/88/02/1066718802.db2.gz LGTWDNVBTPWDEU-HSZRJFAPSA-N 1 0 474.613 3.380 20 30 JGEDRO COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1([NH+](C)C)CCCCC1 ZINC001301805049 1066757161 /nfs/dbraw/zinc/75/71/61/1066757161.db2.gz BLSJCWPBRUQXJJ-UHFFFAOYSA-N 1 0 468.602 3.347 20 30 JGEDRO COCCN(CCC#N)c1nnc(-c2cccn2C)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001301805771 1066758004 /nfs/dbraw/zinc/75/80/04/1066758004.db2.gz ONEWPIXMEVTLAF-UHFFFAOYSA-N 1 0 461.614 3.487 20 30 JGEDRO COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001301805666 1066758066 /nfs/dbraw/zinc/75/80/66/1066758066.db2.gz NCSSIWRSEVCMKX-FQEVSTJZSA-N 1 0 468.602 3.203 20 30 JGEDRO COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001301806131 1066758624 /nfs/dbraw/zinc/75/86/24/1066758624.db2.gz YNSSTWIUSHJHPD-UXHICEINSA-N 1 0 468.602 3.203 20 30 JGEDRO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCCC2)C1 ZINC001302239506 1066760861 /nfs/dbraw/zinc/76/08/61/1066760861.db2.gz FOKQBTCKOPKRTH-OAQYLSRUSA-N 1 0 495.628 3.318 20 30 JGEDRO CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001301833887 1066800737 /nfs/dbraw/zinc/80/07/37/1066800737.db2.gz VQHYWWREMBHGIJ-IFMALSPDSA-N 1 0 493.637 3.198 20 30 JGEDRO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC[NH+]2CCOCC2)C1 ZINC001302282414 1066851668 /nfs/dbraw/zinc/85/16/68/1066851668.db2.gz XLORCYQTCPBEIS-JOCHJYFZSA-N 1 0 495.628 3.033 20 30 JGEDRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(CC(C)C)c2C)C[C@@H]1C ZINC001301884402 1066892949 /nfs/dbraw/zinc/89/29/49/1066892949.db2.gz BJXMMDMSFMIBPY-FQEVSTJZSA-N 1 0 476.629 3.183 20 30 JGEDRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccnc(SC)c2)C[C@@H]1C ZINC001301887849 1066900795 /nfs/dbraw/zinc/90/07/95/1066900795.db2.gz JIUNYVKEFVAUIO-SFHVURJKSA-N 1 0 463.611 3.139 20 30 JGEDRO CC(C)(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001302314249 1066910258 /nfs/dbraw/zinc/91/02/58/1066910258.db2.gz QKUKJDHFZKOXNR-UHFFFAOYSA-N 1 0 484.670 3.485 20 30 JGEDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC(C)C)nc2)C[C@H]1C ZINC001301891918 1066912511 /nfs/dbraw/zinc/91/25/11/1066912511.db2.gz RUODSISVCMZUEQ-HXUWFJFHSA-N 1 0 475.597 3.204 20 30 JGEDRO CC(C)(Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1)C[NH+]1CCCC1 ZINC001302344825 1066941776 /nfs/dbraw/zinc/94/17/76/1066941776.db2.gz DKWDXUBVOISUKZ-DEOSSOPVSA-N 1 0 488.011 3.425 20 30 JGEDRO CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001301916318 1066946519 /nfs/dbraw/zinc/94/65/19/1066946519.db2.gz JCKMEHQRYYKEPM-HSZRJFAPSA-N 1 0 463.630 3.291 20 30 JGEDRO CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001302380991 1066964482 /nfs/dbraw/zinc/96/44/82/1066964482.db2.gz RYSAPPAFVMRCES-SWHJIRTISA-N 1 0 452.603 3.464 20 30 JGEDRO CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001302400941 1066980393 /nfs/dbraw/zinc/98/03/93/1066980393.db2.gz HCZPWJUONGISRX-UHFFFAOYSA-N 1 0 463.630 3.243 20 30 JGEDRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001302409252 1066992709 /nfs/dbraw/zinc/99/27/09/1066992709.db2.gz MCHBIAYSUHUMNY-OAQYLSRUSA-N 1 0 451.619 3.146 20 30 JGEDRO CC1(C)CCC[N@H+](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)C1 ZINC001303958385 1067013022 /nfs/dbraw/zinc/01/30/22/1067013022.db2.gz CZEORKXRVCCTPO-UHFFFAOYSA-N 1 0 470.643 3.211 20 30 JGEDRO CS(=O)(=O)CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001302447936 1067046442 /nfs/dbraw/zinc/04/64/42/1067046442.db2.gz AJLZETTYRMCJHI-JOCHJYFZSA-N 1 0 484.670 3.344 20 30 JGEDRO Cc1ccoc1C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001304008632 1067051385 /nfs/dbraw/zinc/05/13/85/1067051385.db2.gz UDRIKTZCIBBBBS-UHFFFAOYSA-N 1 0 461.570 3.069 20 30 JGEDRO CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001302485311 1067084657 /nfs/dbraw/zinc/08/46/57/1067084657.db2.gz LPCRWIFTDZSQNT-SANMLTNESA-N 1 0 466.630 3.305 20 30 JGEDRO Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1CC(C)(C)C[NH+]1CCCC1 ZINC001304058039 1067100187 /nfs/dbraw/zinc/10/01/87/1067100187.db2.gz HLLSDVSOGAYDSN-GOSISDBHSA-N 1 0 486.690 3.265 20 30 JGEDRO C[S@@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCC1 ZINC001302508195 1067111756 /nfs/dbraw/zinc/11/17/56/1067111756.db2.gz IMGYAOROZNXSPY-UUWRZZSWSA-N 1 0 484.670 3.341 20 30 JGEDRO Cc1ncsc1CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001304078072 1067123035 /nfs/dbraw/zinc/12/30/35/1067123035.db2.gz NBXRYDLGMCOKBA-HXUWFJFHSA-N 1 0 451.600 3.065 20 30 JGEDRO CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCCO)CC1)[NH+]1CCOCC1 ZINC001302511967 1067123663 /nfs/dbraw/zinc/12/36/63/1067123663.db2.gz ACQROQARRWXRKP-XMMPIXPASA-N 1 0 466.630 3.162 20 30 JGEDRO CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302513059 1067126898 /nfs/dbraw/zinc/12/68/98/1067126898.db2.gz HFIYQWUIJINWBT-GOTSBHOMSA-N 1 0 466.630 3.425 20 30 JGEDRO CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302513061 1067126942 /nfs/dbraw/zinc/12/69/42/1067126942.db2.gz HFIYQWUIJINWBT-XZOQPEGZSA-N 1 0 466.630 3.425 20 30 JGEDRO CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC001302513060 1067127022 /nfs/dbraw/zinc/12/70/22/1067127022.db2.gz HFIYQWUIJINWBT-PKTZIBPZSA-N 1 0 466.630 3.425 20 30 JGEDRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(CCC#N)CC1CC1)[NH+]1CCOCC1 ZINC001302514159 1067130052 /nfs/dbraw/zinc/13/00/52/1067130052.db2.gz OOVOEEYZOMCXHV-HXUWFJFHSA-N 1 0 458.010 3.480 20 30 JGEDRO Cc1nnsc1Cn1c(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C ZINC001304126298 1067164682 /nfs/dbraw/zinc/16/46/82/1067164682.db2.gz NEHYZLWAVSQAEA-UHFFFAOYSA-N 1 0 450.616 3.368 20 30 JGEDRO CS[C@@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1)C(C)(C)C ZINC001302593722 1067231694 /nfs/dbraw/zinc/23/16/94/1067231694.db2.gz XKJZAIZHLDHCSR-GOTSBHOMSA-N 1 0 497.713 3.149 20 30 JGEDRO C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)cc1 ZINC001304187690 1067237433 /nfs/dbraw/zinc/23/74/33/1067237433.db2.gz UXXXJCUVEZBOJA-UHFFFAOYSA-N 1 0 453.608 3.378 20 30 JGEDRO Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCC[N@@H+]2CCCO)c1 ZINC001304289409 1067334835 /nfs/dbraw/zinc/33/48/35/1067334835.db2.gz XVUJFLOBZCXICG-ATIYNZHBSA-N 1 0 466.630 3.451 20 30 JGEDRO CC(C)C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1)[NH+](C)C ZINC001302822151 1067410999 /nfs/dbraw/zinc/41/09/99/1067410999.db2.gz ZTFMETGCXHAOBQ-FCHUYYIVSA-N 1 0 466.634 3.089 20 30 JGEDRO Cc1ccc(NC(=O)c2nnc(N3CCC(C#N)CC3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC001304376792 1067418507 /nfs/dbraw/zinc/41/85/07/1067418507.db2.gz BCKBBYZDGOLXKB-NHCUHLMSSA-N 1 0 479.629 3.387 20 30 JGEDRO C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001302871543 1067453189 /nfs/dbraw/zinc/45/31/89/1067453189.db2.gz MEUONSIKIJNYLE-LJQANCHMSA-N 1 0 495.628 3.174 20 30 JGEDRO Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC001304424198 1067501185 /nfs/dbraw/zinc/50/11/85/1067501185.db2.gz DEEZAUOEBWOXRJ-UXHICEINSA-N 1 0 452.584 3.259 20 30 JGEDRO CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001302949053 1067522856 /nfs/dbraw/zinc/52/28/56/1067522856.db2.gz GBDYEHGGSVEJBG-UHFFFAOYSA-N 1 0 450.635 3.334 20 30 JGEDRO CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001302954666 1067526722 /nfs/dbraw/zinc/52/67/22/1067526722.db2.gz PLDDHKLZXWFQRA-YADHBBJMSA-N 1 0 487.656 3.374 20 30 JGEDRO CC(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001302961468 1067532692 /nfs/dbraw/zinc/53/26/92/1067532692.db2.gz NGNIAMLPIPAXAI-RUZDIDTESA-N 1 0 479.673 3.027 20 30 JGEDRO N#Cc1cccc(-c2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CC[NH+]2CCSCC2)c1 ZINC001302986580 1067549020 /nfs/dbraw/zinc/54/90/20/1067549020.db2.gz GNLAQXPBGWQKGJ-LJQANCHMSA-N 1 0 480.560 3.413 20 30 JGEDRO N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC001302993893 1067554641 /nfs/dbraw/zinc/55/46/41/1067554641.db2.gz HKNUJKNWLXADFX-PMACEKPBSA-N 1 0 492.546 3.354 20 30 JGEDRO Cc1cccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001304507675 1067581586 /nfs/dbraw/zinc/58/15/86/1067581586.db2.gz VAJBJXZGVVWKKW-OHUGHZGNSA-N 1 0 470.593 3.495 20 30 JGEDRO Cc1cccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001304507676 1067581633 /nfs/dbraw/zinc/58/16/33/1067581633.db2.gz VAJBJXZGVVWKKW-RLSLOFABSA-N 1 0 470.593 3.495 20 30 JGEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)C)C1 ZINC001303173511 1067707519 /nfs/dbraw/zinc/70/75/19/1067707519.db2.gz RMFWZVQRWWITKH-OAQYLSRUSA-N 1 0 451.619 3.146 20 30 JGEDRO CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+](C)C2CCCC2)[C@H](C)C1=O ZINC001303183595 1067716150 /nfs/dbraw/zinc/71/61/50/1067716150.db2.gz LEEUYGDCTXYCEJ-HXUWFJFHSA-N 1 0 463.630 3.384 20 30 JGEDRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N(C)[C@@H](C)CC#N)C1 ZINC001303201232 1067737241 /nfs/dbraw/zinc/73/72/41/1067737241.db2.gz JGXKJUZJEVPFRG-WMZOPIPTSA-N 1 0 478.439 3.141 20 30 JGEDRO CC(C)CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001303227208 1067762924 /nfs/dbraw/zinc/76/29/24/1067762924.db2.gz QOAGQVQKOGEBSN-OFNKIYASSA-N 1 0 452.603 3.036 20 30 JGEDRO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001303252220 1067778172 /nfs/dbraw/zinc/77/81/72/1067778172.db2.gz NQOXPXYESGJGFV-UHFFFAOYSA-N 1 0 493.656 3.012 20 30 JGEDRO CC(C)[N@H+](C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001303263280 1067790862 /nfs/dbraw/zinc/79/08/62/1067790862.db2.gz OWUWRZZEUQLMBB-UHFFFAOYSA-N 1 0 480.020 3.317 20 30 JGEDRO CC(C)[N@H+](C)CCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2C#N)CC1 ZINC001303267773 1067794485 /nfs/dbraw/zinc/79/44/85/1067794485.db2.gz IOUIRHJWUZKLJJ-UHFFFAOYSA-N 1 0 458.614 3.192 20 30 JGEDRO CC(C)[N@H+](C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001303267719 1067794788 /nfs/dbraw/zinc/79/47/88/1067794788.db2.gz GNBAIKLPNLJPOJ-UHFFFAOYSA-N 1 0 499.623 3.052 20 30 JGEDRO Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@H](c3ccccc3)[NH+](C)C)CC2)c1C#N ZINC001304731580 1067804472 /nfs/dbraw/zinc/80/44/72/1067804472.db2.gz QRDLMKCBEIUUTQ-HSZRJFAPSA-N 1 0 475.645 3.020 20 30 JGEDRO CC(C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C ZINC001303278485 1067806345 /nfs/dbraw/zinc/80/63/45/1067806345.db2.gz GKAOMLLPONIMLM-QFIPXVFZSA-N 1 0 462.602 3.316 20 30 JGEDRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2CCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC001304734985 1067809165 /nfs/dbraw/zinc/80/91/65/1067809165.db2.gz HQINMVXWIJORIH-QFIPXVFZSA-N 1 0 475.645 3.090 20 30 JGEDRO CC(C)[NH+](CCCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)C(C)C ZINC001303290986 1067814913 /nfs/dbraw/zinc/81/49/13/1067814913.db2.gz AXTWSBNRWCGHHU-UHFFFAOYSA-N 1 0 487.656 3.438 20 30 JGEDRO CC(C)[NH+](CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1)C(C)C ZINC001303292987 1067819243 /nfs/dbraw/zinc/81/92/43/1067819243.db2.gz XMYIHDRNZBCOGT-QHCPKHFHSA-N 1 0 479.629 3.082 20 30 JGEDRO CC(C)[NH+](CCn1c(Cc2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1)C(C)C ZINC001303297137 1067820868 /nfs/dbraw/zinc/82/08/68/1067820868.db2.gz OEGNXZJTJUBZDF-JOCHJYFZSA-N 1 0 453.610 3.303 20 30 JGEDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001303305160 1067833042 /nfs/dbraw/zinc/83/30/42/1067833042.db2.gz NRUULZZPRIJPND-GHTZIAJQSA-N 1 0 458.994 3.360 20 30 JGEDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)C1 ZINC001303305347 1067833805 /nfs/dbraw/zinc/83/38/05/1067833805.db2.gz PJJRXFOQIXYIQC-FQEVSTJZSA-N 1 0 450.635 3.289 20 30 JGEDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(F)F)C2)CC1 ZINC001303316807 1067844182 /nfs/dbraw/zinc/84/41/82/1067844182.db2.gz JQSIHZLQCHXMPQ-OAQYLSRUSA-N 1 0 457.573 3.467 20 30 JGEDRO CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001303356267 1067884481 /nfs/dbraw/zinc/88/44/81/1067884481.db2.gz XYBDOMPPHBLELA-OFNKIYASSA-N 1 0 463.630 3.457 20 30 JGEDRO CC(C)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001303373967 1067905183 /nfs/dbraw/zinc/90/51/83/1067905183.db2.gz OTQFMGJCAJTUGE-UHFFFAOYSA-N 1 0 493.656 3.458 20 30 JGEDRO CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001303401997 1067930104 /nfs/dbraw/zinc/93/01/04/1067930104.db2.gz CFGZUYLEHQEDNV-UHFFFAOYSA-N 1 0 496.635 3.018 20 30 JGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)C1 ZINC001304928267 1067975722 /nfs/dbraw/zinc/97/57/22/1067975722.db2.gz YZSIYRXUMBTTKU-GLDPYIMESA-N 1 0 487.649 3.470 20 30 JGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001304928557 1067975736 /nfs/dbraw/zinc/97/57/36/1067975736.db2.gz USEBYRDORBODMT-NSHGMRRFSA-N 1 0 458.010 3.480 20 30 JGEDRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)CC1 ZINC001303468140 1067987689 /nfs/dbraw/zinc/98/76/89/1067987689.db2.gz UOYXSWKMJUXYKC-TZIWHRDSSA-N 1 0 452.603 3.368 20 30 JGEDRO C[C@H]1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CCO1 ZINC001304942052 1067992827 /nfs/dbraw/zinc/99/28/27/1067992827.db2.gz LJQQRWPGPSQCLL-PZJWPPBQSA-N 1 0 452.603 3.464 20 30 JGEDRO C[C@@H]1CC[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001304959585 1068004597 /nfs/dbraw/zinc/00/45/97/1068004597.db2.gz FXFWVIGVDQOSQN-QTEQDKRBSA-N 1 0 463.630 3.384 20 30 JGEDRO CC(C)O[C@@]1(c2nnc(N(Cc3ccc(C#N)cc3)C3CC3)n2C[C@@H](C)[NH+](C)C)CCOC1 ZINC001303487022 1068009325 /nfs/dbraw/zinc/00/93/25/1068009325.db2.gz GHTABNLBOWQMJO-CLOONOSVSA-N 1 0 452.603 3.309 20 30 JGEDRO CC(C)O[C@]1(c2nnc(N(Cc3ccc(C#N)cc3)C3CC3)n2C[C@H](C)[NH+](C)C)CCOC1 ZINC001303487027 1068009353 /nfs/dbraw/zinc/00/93/53/1068009353.db2.gz GHTABNLBOWQMJO-UQBPGWFLSA-N 1 0 452.603 3.309 20 30 JGEDRO C[C@@H]1CCC[C@@](Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)([NH+](C)C)C1 ZINC001304984439 1068027202 /nfs/dbraw/zinc/02/72/02/1068027202.db2.gz QSZGYZPGURODNW-TVTNDZMWSA-N 1 0 490.450 3.285 20 30 JGEDRO C[C@H]1CCC[C@](Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)([NH+](C)C)C1 ZINC001304984467 1068027245 /nfs/dbraw/zinc/02/72/45/1068027245.db2.gz REFUWKJOCHYHQP-LVXARBLLSA-N 1 0 465.646 3.096 20 30 JGEDRO C[C@@H]1CCC[C@@](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)([NH+](C)C)C1 ZINC001304986744 1068029557 /nfs/dbraw/zinc/02/95/57/1068029557.db2.gz LYZMGJLPZXTMTD-RZTXVSJASA-N 1 0 484.670 3.199 20 30 JGEDRO C[C@@H]1CCCC[N@@H+]1CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 ZINC001305013087 1068053428 /nfs/dbraw/zinc/05/34/28/1068053428.db2.gz FAICGOZIUJBJNB-NQIIRXRSSA-N 1 0 453.547 3.237 20 30 JGEDRO C[C@H]1CCCC[N@@H+]1CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 ZINC001305013089 1068053479 /nfs/dbraw/zinc/05/34/79/1068053479.db2.gz FAICGOZIUJBJNB-RXVVDRJESA-N 1 0 453.547 3.237 20 30 JGEDRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(N3CCN(c4nccnc4C#N)C[C@@H]3C)nnc2C(C)(C)C)C1 ZINC001305019384 1068065653 /nfs/dbraw/zinc/06/56/53/1068065653.db2.gz MDKBQHADNHHIIQ-PMACEKPBSA-N 1 0 479.677 3.463 20 30 JGEDRO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(CCC#N)CC1CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305024659 1068078629 /nfs/dbraw/zinc/07/86/29/1068078629.db2.gz MHYOZRQWYBZNCZ-MOPGFXCFSA-N 1 0 450.591 3.176 20 30 JGEDRO C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305025766 1068081323 /nfs/dbraw/zinc/08/13/23/1068081323.db2.gz UMTSVLVFLCMWFQ-UWVAXJGDSA-N 1 0 460.529 3.396 20 30 JGEDRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCO[C@H](C)C2)CC1 ZINC001303569597 1068092268 /nfs/dbraw/zinc/09/22/68/1068092268.db2.gz DBPVQRBQUWXREC-IRLDBZIGSA-N 1 0 452.603 3.179 20 30 JGEDRO CC(C)OCC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001303569599 1068092395 /nfs/dbraw/zinc/09/23/95/1068092395.db2.gz DBPVQRBQUWXREC-RBBKRZOGSA-N 1 0 452.603 3.179 20 30 JGEDRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C2CCCCC2)CC1 ZINC001303570292 1068094028 /nfs/dbraw/zinc/09/40/28/1068094028.db2.gz PUBIWFRHFZLBES-UHFFFAOYSA-N 1 0 493.656 3.155 20 30 JGEDRO C[C@H]1CCC[N@H+](CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001305042439 1068098018 /nfs/dbraw/zinc/09/80/18/1068098018.db2.gz JDGOUSWHBPDXCY-GAJHUEQPSA-N 1 0 473.984 3.035 20 30 JGEDRO C[C@H]1CCC[N@H+](CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305049450 1068109119 /nfs/dbraw/zinc/10/91/19/1068109119.db2.gz IJENHQSRJSKGMU-PXNSSMCTSA-N 1 0 489.546 3.053 20 30 JGEDRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001305050483 1068112560 /nfs/dbraw/zinc/11/25/60/1068112560.db2.gz VQEVMXJXZCMWQZ-GGAORHGYSA-N 1 0 493.656 3.202 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001303630498 1068161571 /nfs/dbraw/zinc/16/15/71/1068161571.db2.gz YPBUMGIWUYNKND-DYESRHJHSA-N 1 0 465.989 3.347 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@H+](C)C1CCCCC1 ZINC001303635953 1068163811 /nfs/dbraw/zinc/16/38/11/1068163811.db2.gz KAYDALKDTMDUGS-GOSISDBHSA-N 1 0 472.663 3.241 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001303637013 1068164852 /nfs/dbraw/zinc/16/48/52/1068164852.db2.gz SWQXKDHJOZPAJU-XMSQKQJNSA-N 1 0 476.629 3.441 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCCC1(C)C ZINC001303637010 1068164925 /nfs/dbraw/zinc/16/49/25/1068164925.db2.gz RGJSVZAGCHAVOB-AJTFRIOCSA-N 1 0 479.673 3.322 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CCCS1 ZINC001303637255 1068165465 /nfs/dbraw/zinc/16/54/65/1068165465.db2.gz UQLJKEACFNUGGB-IFMALSPDSA-N 1 0 453.660 3.277 20 30 JGEDRO CC1CC[NH+](CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001305105930 1068174104 /nfs/dbraw/zinc/17/41/04/1068174104.db2.gz HNGUJJYBUICPBI-UHFFFAOYSA-N 1 0 461.536 3.233 20 30 JGEDRO C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@@H]1F ZINC001305111245 1068182314 /nfs/dbraw/zinc/18/23/14/1068182314.db2.gz AHBLHWJHRXFJLE-YXTQBTIXSA-N 1 0 470.593 3.411 20 30 JGEDRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CC[C@@](F)(C#N)C2)C[C@H](C)O1 ZINC001305113449 1068190003 /nfs/dbraw/zinc/19/00/03/1068190003.db2.gz ULEUIPAWBYWKIH-OHUGHZGNSA-N 1 0 454.594 3.393 20 30 JGEDRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@](F)(C#N)C2)C[C@@H](C)O1 ZINC001305113458 1068190101 /nfs/dbraw/zinc/19/01/01/1068190101.db2.gz OSIWATGMGCGTAN-VTJXTGGHSA-N 1 0 494.413 3.365 20 30 JGEDRO CC(C)[NH+](CCCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C)C(C)C ZINC001305123222 1068207806 /nfs/dbraw/zinc/20/78/06/1068207806.db2.gz UNUOEBARPYBSSG-FQEVSTJZSA-N 1 0 467.666 3.461 20 30 JGEDRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC001303692041 1068232785 /nfs/dbraw/zinc/23/27/85/1068232785.db2.gz OLZINGFFMKJQQL-PXNSSMCTSA-N 1 0 498.429 3.295 20 30 JGEDRO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CC=CCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305147722 1068249816 /nfs/dbraw/zinc/24/98/16/1068249816.db2.gz FCBOBIUHDQOEQC-UGKGYDQZSA-N 1 0 477.613 3.428 20 30 JGEDRO C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CC=CCC2)CCN1CC(F)(F)F ZINC001305155193 1068263943 /nfs/dbraw/zinc/26/39/43/1068263943.db2.gz OANNEARFADDQFD-SFHVURJKSA-N 1 0 459.520 3.151 20 30 JGEDRO C[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC#N)CC1)[NH+](C)C ZINC001303718409 1068266953 /nfs/dbraw/zinc/26/69/53/1068266953.db2.gz PNVHABVCAKYJCK-AZUAARDMSA-N 1 0 459.639 3.473 20 30 JGEDRO C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(n2cc(Cl)cn2)CC1)[NH+](C)C ZINC001303738072 1068296956 /nfs/dbraw/zinc/29/69/56/1068296956.db2.gz RUVJPOWIUHUGKR-QGZVFWFLSA-N 1 0 468.993 3.370 20 30 JGEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001303747435 1068308875 /nfs/dbraw/zinc/30/88/75/1068308875.db2.gz QDLRGNQPLUQDFV-KRWDZBQOSA-N 1 0 462.520 3.442 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001303751748 1068312259 /nfs/dbraw/zinc/31/22/59/1068312259.db2.gz LJMFWTRWWXXVSG-VQTJNVASSA-N 1 0 487.674 3.056 20 30 JGEDRO C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CC#N)C[NH+]1CCCCC1 ZINC001303751744 1068312508 /nfs/dbraw/zinc/31/25/08/1068312508.db2.gz LJMFWTRWWXXVSG-PMACEKPBSA-N 1 0 487.674 3.056 20 30 JGEDRO CC(C)[NH+](CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1)C(C)C ZINC001305207851 1068335769 /nfs/dbraw/zinc/33/57/69/1068335769.db2.gz XCPOSHUIFBPAIU-WIOPSUGQSA-N 1 0 495.672 3.004 20 30 JGEDRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001303771362 1068346898 /nfs/dbraw/zinc/34/68/98/1068346898.db2.gz LBGNFSYARRFFRK-XXBNENTESA-N 1 0 484.670 3.483 20 30 JGEDRO C[C@H]1C[NH+](CCCn2c(N3CCN(c4cccc(F)c4C#N)CC3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305220502 1068358753 /nfs/dbraw/zinc/35/87/53/1068358753.db2.gz GEXGIHVESFRIIY-PMACEKPBSA-N 1 0 483.636 3.412 20 30 JGEDRO C[C@@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001305221017 1068359129 /nfs/dbraw/zinc/35/91/29/1068359129.db2.gz IFSJOHXPGUHNSR-WOJBJXKFSA-N 1 0 470.643 3.171 20 30 JGEDRO C[C@H]1C[N@H+](CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC#N)CC2)CCCO1 ZINC001305222373 1068362915 /nfs/dbraw/zinc/36/29/15/1068362915.db2.gz OEBDPJNVNJNBRP-NRFANRHFSA-N 1 0 477.613 3.360 20 30 JGEDRO C[C@H]([NH2+]C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1)c1ccccc1 ZINC001303804362 1068405110 /nfs/dbraw/zinc/40/51/10/1068405110.db2.gz SWUDWBGXBSIQKN-FPOVZHCZSA-N 1 0 484.670 3.440 20 30 JGEDRO C[C@@H]1[C@H](C)SCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001305257931 1068422622 /nfs/dbraw/zinc/42/26/22/1068422622.db2.gz LFTXSRCMSRXPCQ-RZUBCFFCSA-N 1 0 484.670 3.296 20 30 JGEDRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001305261722 1068431401 /nfs/dbraw/zinc/43/14/01/1068431401.db2.gz IDYCIZQYQVREOS-XZOQPEGZSA-N 1 0 463.630 3.432 20 30 JGEDRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001305261721 1068431421 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HVSBJEDPJVJGNL-AEFFLSMTSA-N 1 0 476.423 3.132 20 30 JGEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001303179452 1067713332 /nfs/dbraw/zinc/71/33/32/1067713332.db2.gz WEQFDOWVRCTCMO-DENIHFKCSA-N 1 0 456.566 3.093 20 30 JGEDRO CC(C)C[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CSCCS2)CC1 ZINC001303198757 1067734516 /nfs/dbraw/zinc/73/45/16/1067734516.db2.gz KOAWGFNNGQGYSG-NRFANRHFSA-N 1 0 472.684 3.355 20 30 JGEDRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@](C)(C#N)C2)C1 ZINC001303208721 1067746545 /nfs/dbraw/zinc/74/65/45/1067746545.db2.gz XWIWLFANOQOOKQ-ZEQKJWHPSA-N 1 0 477.613 3.216 20 30 JGEDRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)CC1 ZINC001303256398 1067783323 /nfs/dbraw/zinc/78/33/23/1067783323.db2.gz KCULEAONXOGZOD-UHFFFAOYSA-N 1 0 484.670 3.198 20 30 JGEDRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2ccco2)CC1 ZINC001303257819 1067784671 /nfs/dbraw/zinc/78/46/71/1067784671.db2.gz ZEDFGXUTSSXGQH-UHFFFAOYSA-N 1 0 475.597 3.396 20 30 JGEDRO CC(C)[N@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 ZINC001303262545 1067789968 /nfs/dbraw/zinc/78/99/68/1067789968.db2.gz GLQYMWIGSGBKBD-UHFFFAOYSA-N 1 0 463.630 3.386 20 30 JGEDRO CC(C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001303270447 1067799325 /nfs/dbraw/zinc/79/93/25/1067799325.db2.gz AEIGOSZMTHKLNA-OAQYLSRUSA-N 1 0 452.603 3.179 20 30 JGEDRO Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CC3([NH+](C)C)CCCCC3)CC2)c1C#N ZINC001304730264 1067802061 /nfs/dbraw/zinc/80/20/61/1067802061.db2.gz BODCPXOUDKOODQ-UHFFFAOYSA-N 1 0 467.666 3.080 20 30 JGEDRO CC(C)[N@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001303277023 1067804622 /nfs/dbraw/zinc/80/46/22/1067804622.db2.gz QNKPYZLTTZLYQK-DVECYGJZSA-N 1 0 475.638 3.057 20 30 JGEDRO Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCOCC[NH+](C)C)C2)n1 ZINC001304736033 1067809965 /nfs/dbraw/zinc/80/99/65/1067809965.db2.gz WTZWHTAAQNRISK-QHCPKHFHSA-N 1 0 462.602 3.050 20 30 JGEDRO CC(C)[NH+](CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC(C)(C#N)CC1)C(C)C ZINC001303299725 1067824471 /nfs/dbraw/zinc/82/44/71/1067824471.db2.gz YVZGRTVUEVJSKE-UHFFFAOYSA-N 1 0 476.629 3.441 20 30 JGEDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@H](C)CC#N)C1 ZINC001303302488 1067827176 /nfs/dbraw/zinc/82/71/76/1067827176.db2.gz JXAYEEMICVXQRJ-MOPGFXCFSA-N 1 0 458.632 3.207 20 30 JGEDRO CC(C)[NH+]1CCC(O)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(C#N)CC2)CC1 ZINC001303302540 1067827573 /nfs/dbraw/zinc/82/75/73/1067827573.db2.gz LLZVRQRHTRGBFE-NHCUHLMSSA-N 1 0 458.651 3.172 20 30 JGEDRO CC(C)[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCCC2(C)C)CC1 ZINC001303317280 1067845291 /nfs/dbraw/zinc/84/52/91/1067845291.db2.gz SSIUSILGHSSXTG-RUZDIDTESA-N 1 0 452.603 3.200 20 30 JGEDRO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)n2C[C@@](C)(O)C(C)C)n1 ZINC001304761199 1067847925 /nfs/dbraw/zinc/84/79/25/1067847925.db2.gz XTNCSKXSQBXEMK-HHHXNRCGSA-N 1 0 490.656 3.131 20 30 JGEDRO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)n2C[C@](C)(O)C(C)C)n1 ZINC001304761201 1067847997 /nfs/dbraw/zinc/84/79/97/1067847997.db2.gz XTNCSKXSQBXEMK-MHZLTWQESA-N 1 0 490.656 3.131 20 30 JGEDRO Cc1nnc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001304852963 1067905075 /nfs/dbraw/zinc/90/50/75/1067905075.db2.gz QMRKBZHKIRVTBP-UHFFFAOYSA-N 1 0 452.563 3.152 20 30 JGEDRO CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001303387575 1067915755 /nfs/dbraw/zinc/91/57/55/1067915755.db2.gz ZHYJADTTYAANMC-CPJSRVTESA-N 1 0 451.619 3.457 20 30 JGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001304923189 1067964798 /nfs/dbraw/zinc/96/47/98/1067964798.db2.gz BNBDKXDOVDLJIJ-BGYRXZFFSA-N 1 0 463.630 3.277 20 30 JGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)C1 ZINC001304923279 1067965279 /nfs/dbraw/zinc/96/52/79/1067965279.db2.gz BBBSVKOOTBPINT-SJBKTWHCSA-N 1 0 476.691 3.068 20 30 JGEDRO CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304926327 1067970008 /nfs/dbraw/zinc/97/00/08/1067970008.db2.gz RCUGHKGMJLPLDX-NHCUHLMSSA-N 1 0 450.635 3.363 20 30 JGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 ZINC001304928678 1067976559 /nfs/dbraw/zinc/97/65/59/1067976559.db2.gz PNRTTWMKLQKNPV-CTVDGRRTSA-N 1 0 466.630 3.304 20 30 JGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1 ZINC001304929282 1067977464 /nfs/dbraw/zinc/97/74/64/1067977464.db2.gz UHAHYOWLCYECRI-VIZSFHNOSA-N 1 0 484.670 3.056 20 30 JGEDRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N2CCCCCC2)CC1 ZINC001303467663 1067986510 /nfs/dbraw/zinc/98/65/10/1067986510.db2.gz DIVVNCATCLICFB-UHFFFAOYSA-N 1 0 493.656 3.488 20 30 JGEDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CC1 ZINC001304977466 1068016278 /nfs/dbraw/zinc/01/62/78/1068016278.db2.gz RUIIJTXTVBQEBP-PMACEKPBSA-N 1 0 487.599 3.093 20 30 JGEDRO C[C@@H]1CCC[C@](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(C#N)cc2)([NH+](C)C)C1 ZINC001304986743 1068029427 /nfs/dbraw/zinc/02/94/27/1068029427.db2.gz LYZMGJLPZXTMTD-QNIAMRLHSA-N 1 0 484.670 3.199 20 30 JGEDRO C[C@@H]1CCC[C@@](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)([NH+](C)C)C1 ZINC001304991019 1068033053 /nfs/dbraw/zinc/03/30/53/1068033053.db2.gz UYUSLFYLUAKWBW-NLSFWIRASA-N 1 0 473.622 3.222 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001305019028 1068065195 /nfs/dbraw/zinc/06/51/95/1068065195.db2.gz VGWVHABWGVOJKF-MOPGFXCFSA-N 1 0 472.663 3.241 20 30 JGEDRO CC(C)OCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001303538999 1068068410 /nfs/dbraw/zinc/06/84/10/1068068410.db2.gz YUYMZHLNVKOJIZ-UHFFFAOYSA-N 1 0 452.603 3.323 20 30 JGEDRO CC(C)OC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC001303539153 1068068634 /nfs/dbraw/zinc/06/86/34/1068068634.db2.gz NQWBTJRJEDJVJF-UKILVPOCSA-N 1 0 496.656 3.479 20 30 JGEDRO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(CCC#N)CC1CC1)[N@@H+]1CCC[C@H](C)C1 ZINC001305024661 1068078572 /nfs/dbraw/zinc/07/85/72/1068078572.db2.gz MHYOZRQWYBZNCZ-RBUKOAKNSA-N 1 0 450.591 3.176 20 30 JGEDRO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(CCC#N)CC1CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305024662 1068078753 /nfs/dbraw/zinc/07/87/53/1068078753.db2.gz MHYOZRQWYBZNCZ-RTBURBONSA-N 1 0 450.591 3.176 20 30 JGEDRO C[C@@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001305049948 1068110591 /nfs/dbraw/zinc/11/05/91/1068110591.db2.gz KSSDGFWMTCBSMT-FDFHNCONSA-N 1 0 465.646 3.094 20 30 JGEDRO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001305057368 1068119854 /nfs/dbraw/zinc/11/98/54/1068119854.db2.gz BLHXJNSPOHGGNF-HXUWFJFHSA-N 1 0 463.630 3.384 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001303627397 1068157236 /nfs/dbraw/zinc/15/72/36/1068157236.db2.gz JRSDLDXUMIJDFA-XXBNENTESA-N 1 0 489.628 3.016 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001303635545 1068163718 /nfs/dbraw/zinc/16/37/18/1068163718.db2.gz AOTCRNJFCQJRGF-QPPBQGQZSA-N 1 0 459.598 3.293 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCCCC[NH+]1CCCC1 ZINC001303637048 1068164938 /nfs/dbraw/zinc/16/49/38/1068164938.db2.gz TVKGTMLAAMCKAS-IBGZPJMESA-N 1 0 462.602 3.196 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCS1 ZINC001303637257 1068165402 /nfs/dbraw/zinc/16/54/02/1068165402.db2.gz UQLJKEACFNUGGB-IRLDBZIGSA-N 1 0 453.660 3.277 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001303640872 1068168391 /nfs/dbraw/zinc/16/83/91/1068168391.db2.gz OKDXWKZVKPNFIB-IBGZPJMESA-N 1 0 451.623 3.065 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001303640803 1068168441 /nfs/dbraw/zinc/16/84/41/1068168441.db2.gz NGSWCFPSEVKVOY-HXUWFJFHSA-N 1 0 465.650 3.455 20 30 JGEDRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@](F)(C#N)C2)C[C@H](C)O1 ZINC001305113448 1068190169 /nfs/dbraw/zinc/19/01/69/1068190169.db2.gz OSIWATGMGCGTAN-LRAJWGHMSA-N 1 0 494.413 3.365 20 30 JGEDRO C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@](F)(C#N)C2)C[C@@H](C)O1 ZINC001305113714 1068190502 /nfs/dbraw/zinc/19/05/02/1068190502.db2.gz WCOOLZXTHGQBSU-HOZJOUCCSA-N 1 0 476.547 3.477 20 30 JGEDRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 ZINC001305114793 1068192980 /nfs/dbraw/zinc/19/29/80/1068192980.db2.gz VEPDQBCJCIPLNH-HLIPFELVSA-N 1 0 490.555 3.163 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001303663197 1068194363 /nfs/dbraw/zinc/19/43/63/1068194363.db2.gz LRJBYMSJWMNLKN-MOPGFXCFSA-N 1 0 458.632 3.351 20 30 JGEDRO C[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC001303664634 1068197377 /nfs/dbraw/zinc/19/73/77/1068197377.db2.gz MALUERLLRIFIBO-UGKGYDQZSA-N 1 0 470.643 3.095 20 30 JGEDRO C[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC001303664633 1068197443 /nfs/dbraw/zinc/19/74/43/1068197443.db2.gz MALUERLLRIFIBO-SIKLNZKXSA-N 1 0 470.643 3.095 20 30 JGEDRO CC(C)[NH+](CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1)C(C)C ZINC001305148934 1068252633 /nfs/dbraw/zinc/25/26/33/1068252633.db2.gz LAKJPGOCXFULKU-DHLKQENFSA-N 1 0 479.673 3.483 20 30 JGEDRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C[NH+]1CCCCC1 ZINC001303754186 1068316779 /nfs/dbraw/zinc/31/67/79/1068316779.db2.gz QLVRJWMPZREUNK-LEWJYISDSA-N 1 0 479.677 3.365 20 30 JGEDRO CC(C)[NH+](CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1)C(C)C ZINC001305207845 1068335603 /nfs/dbraw/zinc/33/56/03/1068335603.db2.gz XCPOSHUIFBPAIU-RCZVLFRGSA-N 1 0 495.672 3.004 20 30 JGEDRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001303771360 1068346823 /nfs/dbraw/zinc/34/68/23/1068346823.db2.gz LBGNFSYARRFFRK-CVDCTZTESA-N 1 0 484.670 3.483 20 30 JGEDRO C[C@@H]1C[N@H+](CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CC#N)CC2)CCCO1 ZINC001305222375 1068362687 /nfs/dbraw/zinc/36/26/87/1068362687.db2.gz OEBDPJNVNJNBRP-OAQYLSRUSA-N 1 0 477.613 3.360 20 30 JGEDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CC(F)(F)Br ZINC001305222785 1068364017 /nfs/dbraw/zinc/36/40/17/1068364017.db2.gz MUKSIFVUIAXAOM-CJNGLKHVSA-N 1 0 451.319 3.477 20 30 JGEDRO C[C@H]1C[N@H+](CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(F)(F)F)CCCO1 ZINC001305223950 1068365621 /nfs/dbraw/zinc/36/56/21/1068365621.db2.gz VTQAIWPGFVUHSP-KRWDZBQOSA-N 1 0 466.508 3.228 20 30 JGEDRO C#CC[NH+]1CCC(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(OC)c(OC)c2)CC1 ZINC001303792037 1068375530 /nfs/dbraw/zinc/37/55/30/1068375530.db2.gz FQDUVTVPUSBKAM-UHFFFAOYSA-N 1 0 458.562 3.443 20 30 JGEDRO C[C@H]([NH2+]C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1)c1ccccc1 ZINC001303804363 1068405168 /nfs/dbraw/zinc/40/51/68/1068405168.db2.gz SWUDWBGXBSIQKN-PZJWPPBQSA-N 1 0 484.670 3.440 20 30 JGEDRO C[C@@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)[C@H]1C ZINC001305257929 1068422541 /nfs/dbraw/zinc/42/25/41/1068422541.db2.gz LFTXSRCMSRXPCQ-JAXLGGSGSA-N 1 0 484.670 3.296 20 30 JGEDRO C[C@@H]1SCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC[N@@H+]2CCC[C@H]2CO)[C@H]1C ZINC001305257930 1068422560 /nfs/dbraw/zinc/42/25/60/1068422560.db2.gz LFTXSRCMSRXPCQ-ONTIZHBOSA-N 1 0 484.670 3.296 20 30 JGEDRO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001305270527 1068466126 /nfs/dbraw/zinc/46/61/26/1068466126.db2.gz QFPAEHGVWUHNKR-JOCHJYFZSA-N 1 0 493.656 3.346 20 30 JGEDRO C[C@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1)C1CC1 ZINC001303882239 1068520849 /nfs/dbraw/zinc/52/08/49/1068520849.db2.gz UDWYYMZSAICCFM-QHCPKHFHSA-N 1 0 492.546 3.069 20 30 JGEDRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001303896570 1068535841 /nfs/dbraw/zinc/53/58/41/1068535841.db2.gz DHAIAEQGFCWKDF-NRYAXDJKSA-N 1 0 474.556 3.236 20 30 JGEDRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001303896571 1068535988 /nfs/dbraw/zinc/53/59/88/1068535988.db2.gz DHAIAEQGFCWKDF-VAXXYWNWSA-N 1 0 474.556 3.236 20 30 JGEDRO CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001305319833 1068536579 /nfs/dbraw/zinc/53/65/79/1068536579.db2.gz AQPYIZUNNPSSSO-FQRUVTKNSA-N 1 0 466.630 3.162 20 30 JGEDRO CC[C@@H](C)[C@@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(C#N)CC1 ZINC001305336951 1068569629 /nfs/dbraw/zinc/56/96/29/1068569629.db2.gz VFGINJCDVUCCGL-AMGIVPHBSA-N 1 0 479.673 3.180 20 30 JGEDRO C[C@@]1(C#N)CCCN(c2nnc(CCc3ccccc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001303939956 1068599681 /nfs/dbraw/zinc/59/96/81/1068599681.db2.gz PWTJQOXOJPXQFM-BVAGGSTKSA-N 1 0 450.631 3.430 20 30 JGEDRO CC1(C#N)CCN(c2nnc(COc3ccc(F)cc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001303944819 1068606133 /nfs/dbraw/zinc/60/61/33/1068606133.db2.gz ZSEMRIUBKHWBFD-OAQYLSRUSA-N 1 0 470.593 3.363 20 30 JGEDRO CC[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001305380161 1068632256 /nfs/dbraw/zinc/63/22/56/1068632256.db2.gz JMFPANOIVBZYEQ-UGKGYDQZSA-N 1 0 451.619 3.242 20 30 JGEDRO CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001305521790 1068774399 /nfs/dbraw/zinc/77/43/99/1068774399.db2.gz LDBLYEONSYLLEM-HXUWFJFHSA-N 1 0 480.661 3.274 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001305607744 1068876547 /nfs/dbraw/zinc/87/65/47/1068876547.db2.gz YISOAVKLIXEIRH-REWPJTCUSA-N 1 0 478.645 3.054 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001305608240 1068877997 /nfs/dbraw/zinc/87/79/97/1068877997.db2.gz PPUAOBWWJUPPJE-IBGZPJMESA-N 1 0 462.577 3.408 20 30 JGEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C)(C#N)CC1 ZINC001305609915 1068883090 /nfs/dbraw/zinc/88/30/90/1068883090.db2.gz VDCYGRVGGHLQIQ-LJQANCHMSA-N 1 0 487.674 3.056 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C)(C#N)CC1 ZINC001305609911 1068883132 /nfs/dbraw/zinc/88/31/32/1068883132.db2.gz VDCYGRVGGHLQIQ-IBGZPJMESA-N 1 0 487.674 3.056 20 30 JGEDRO CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 ZINC001305616063 1068895061 /nfs/dbraw/zinc/89/50/61/1068895061.db2.gz DUOVNRPSUFKGAG-QUCCMNQESA-N 1 0 475.638 3.057 20 30 JGEDRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001305620995 1068906388 /nfs/dbraw/zinc/90/63/88/1068906388.db2.gz URVIKTCZYCBLGM-JOCHJYFZSA-N 1 0 472.641 3.188 20 30 JGEDRO CC[C@@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001305621453 1068908195 /nfs/dbraw/zinc/90/81/95/1068908195.db2.gz OVDNQKMEDJTOLI-HXUWFJFHSA-N 1 0 496.660 3.089 20 30 JGEDRO CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001305627960 1068927643 /nfs/dbraw/zinc/92/76/43/1068927643.db2.gz KQGZTLZFRIOUHD-IRLDBZIGSA-N 1 0 463.630 3.434 20 30 JGEDRO CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001305640275 1068955843 /nfs/dbraw/zinc/95/58/43/1068955843.db2.gz DMJYGCIRZWRVDE-NRFANRHFSA-N 1 0 493.656 3.488 20 30 JGEDRO CC[C@H](C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001305641708 1068960051 /nfs/dbraw/zinc/96/00/51/1068960051.db2.gz NMHLFUBPSNUYKL-UNMCSNQZSA-N 1 0 479.629 3.098 20 30 JGEDRO CCC(CC)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1)[NH+](C)C ZINC001305703707 1069087954 /nfs/dbraw/zinc/08/79/54/1069087954.db2.gz JEDFAORTLXOTKT-AEFFLSMTSA-N 1 0 464.412 3.131 20 30 JGEDRO CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1)[NH+]1CCOCC1 ZINC001305704918 1069091952 /nfs/dbraw/zinc/09/19/52/1069091952.db2.gz OCEWJFKIAWKDKP-PKTZIBPZSA-N 1 0 452.603 3.179 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC001305705472 1069093467 /nfs/dbraw/zinc/09/34/67/1069093467.db2.gz JKYDQEZXYKAXMX-XMMPIXPASA-N 1 0 474.613 3.380 20 30 JGEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001305707940 1069099426 /nfs/dbraw/zinc/09/94/26/1069099426.db2.gz IDAROMQVRZYXDL-RPWUZVMVSA-N 1 0 494.640 3.343 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1)[NH+](C)C ZINC001305709049 1069102727 /nfs/dbraw/zinc/10/27/27/1069102727.db2.gz MKCXOYFTNDYCAE-HSZRJFAPSA-N 1 0 473.629 3.300 20 30 JGEDRO CCC(CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC001305714943 1069118981 /nfs/dbraw/zinc/11/89/81/1069118981.db2.gz LMARPDVOISAWNQ-RPBOFIJWSA-N 1 0 479.673 3.342 20 30 JGEDRO CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001305739145 1069166314 /nfs/dbraw/zinc/16/63/14/1069166314.db2.gz JNWWLWHJLKQOLD-IBGZPJMESA-N 1 0 451.619 3.457 20 30 JGEDRO CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001305755787 1069208015 /nfs/dbraw/zinc/20/80/15/1069208015.db2.gz NRXAFKPZMVIQFB-HFZDXXHNSA-N 1 0 497.619 3.484 20 30 JGEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)cnc3C#N)CC2)c2ccccc21 ZINC001164683334 719661557 /nfs/dbraw/zinc/66/15/57/719661557.db2.gz VCCSQZFHVYRXGJ-KRWDZBQOSA-N 1 0 452.990 3.095 20 30 JGEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nnc(Cl)cc3C#N)CC2)c2ccccc21 ZINC001164681903 719662194 /nfs/dbraw/zinc/66/21/94/719662194.db2.gz SILZWVRVHBHSFW-QGZVFWFLSA-N 1 0 452.990 3.095 20 30 JGEDRO Cc1nc(Cl)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1C#N ZINC001164684653 719669183 /nfs/dbraw/zinc/66/91/83/719669183.db2.gz UZRGELBPSOVQCQ-SFHVURJKSA-N 1 0 467.017 3.404 20 30 JGEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc4c(cc3C#N)COCC4)CC2)c2ccccc21 ZINC001164688206 719680053 /nfs/dbraw/zinc/68/00/53/719680053.db2.gz XKGNUDLQAVLQOA-HXUWFJFHSA-N 1 0 473.621 3.119 20 30 JGEDRO Cn1nnc2c1CCN(c1nc3ccccc3c(Cl)c1C#N)[C@H]2COCC[NH+]1CCCC1 ZINC001164718453 720196153 /nfs/dbraw/zinc/19/61/53/720196153.db2.gz ZKBUWWNKGRYAED-FQEVSTJZSA-N 1 0 451.962 3.105 20 30 JGEDRO Cc1ccc2nc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c(C#N)c(Cl)c2c1 ZINC001164719266 720208616 /nfs/dbraw/zinc/20/86/16/720208616.db2.gz PWHKMTBBRJGNIO-NRFANRHFSA-N 1 0 465.989 3.413 20 30 JGEDRO Cc1ccc2nc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c(C#N)c(Cl)c2c1 ZINC001164719267 720209666 /nfs/dbraw/zinc/20/96/66/720209666.db2.gz PWHKMTBBRJGNIO-OAQYLSRUSA-N 1 0 465.989 3.413 20 30 JGEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c12 ZINC001164717229 720209672 /nfs/dbraw/zinc/20/96/72/720209672.db2.gz GWGXHEONMLZKFX-HXUWFJFHSA-N 1 0 465.989 3.413 20 30 JGEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164830149 720327849 /nfs/dbraw/zinc/32/78/49/720327849.db2.gz OPAKOARLVZULEB-YADHBBJMSA-N 1 0 482.701 3.009 20 30 JGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841556 720524789 /nfs/dbraw/zinc/52/47/89/720524789.db2.gz YXQGJMJRSMJFAZ-NLWGTHIKSA-N 1 0 456.978 3.358 20 30 JGEDRO CC(C)(C)C(=O)Nc1ccc(C#C[Si](C)(C)C)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737746 720737765 /nfs/dbraw/zinc/73/77/65/720737765.db2.gz CJTFKFYTDOHUOM-LEWJYISDSA-N 1 0 492.700 3.427 20 30 JGEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C#C[Si](C)(C)C)ccc3NC(=O)C(C)(C)C)CC[C@H]2C1 ZINC001164858217 720867545 /nfs/dbraw/zinc/86/75/45/720867545.db2.gz RRTYPSPRTSIMNF-NZQKXSOJSA-N 1 0 486.733 3.469 20 30 JGEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c12 ZINC001164879676 721294374 /nfs/dbraw/zinc/29/43/74/721294374.db2.gz YXVSSUMWCYFBAK-UHFFFAOYSA-N 1 0 473.980 3.214 20 30 JGEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C3(C#N)CCOCC3)cn1)CC2 ZINC001164788799 721465213 /nfs/dbraw/zinc/46/52/13/721465213.db2.gz LCWFKIAVJJFPRL-DEOSSOPVSA-N 1 0 468.642 3.387 20 30 JGEDRO C[NH+](C)CCOCc1ncn2c1CN(c1cnc(Cl)nc1Oc1ccc(C#N)cc1)CCC2 ZINC001165004410 722257996 /nfs/dbraw/zinc/25/79/96/722257996.db2.gz RIMZPUXTDKCDCD-UHFFFAOYSA-N 1 0 467.961 3.479 20 30 JGEDRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001305793866 1069310526 /nfs/dbraw/zinc/31/05/26/1069310526.db2.gz GIXSPLGHWCZTHT-JPYJTQIMSA-N 1 0 479.629 3.129 20 30 JGEDRO CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)OC ZINC001305813197 1069343670 /nfs/dbraw/zinc/34/36/70/1069343670.db2.gz FDUCTZUUARNESJ-DEOSSOPVSA-N 1 0 465.646 3.237 20 30 JGEDRO CC[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1)[NH+]1CCCC1 ZINC001305816208 1069349638 /nfs/dbraw/zinc/34/96/38/1069349638.db2.gz ZZRHACOVAFWQKD-RTBURBONSA-N 1 0 459.392 3.311 20 30 JGEDRO CC[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1)[NH+]1CCCC1 ZINC001305816202 1069349741 /nfs/dbraw/zinc/34/97/41/1069349741.db2.gz ZZRHACOVAFWQKD-OALUTQOASA-N 1 0 459.392 3.311 20 30 JGEDRO CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)OC ZINC001305842070 1069390592 /nfs/dbraw/zinc/39/05/92/1069390592.db2.gz NAQWMLXULVNXGZ-DEOSSOPVSA-N 1 0 459.598 3.273 20 30 JGEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1C ZINC001298318269 1064194052 /nfs/dbraw/zinc/19/40/52/1064194052.db2.gz OQAAGMPHVDNBHW-XMMPIXPASA-N 1 0 457.578 3.230 20 30 JGEDRO CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001298582623 1064354808 /nfs/dbraw/zinc/35/48/08/1064354808.db2.gz ADAZCRNLJOFMTI-XMMPIXPASA-N 1 0 470.643 3.089 20 30 JGEDRO CN(CC1COC(C)(C)OC1)c1nnc(COc2ccc(C#N)cc2)n1CCC[NH+]1CCCCC1 ZINC001298588018 1064361085 /nfs/dbraw/zinc/36/10/85/1064361085.db2.gz BOALXQSPQNPRBB-UHFFFAOYSA-N 1 0 482.629 3.440 20 30 JGEDRO CN(CCC(F)F)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001298608734 1064380564 /nfs/dbraw/zinc/38/05/64/1064380564.db2.gz XPAMMPSPVSWCLB-NRFANRHFSA-N 1 0 450.559 3.257 20 30 JGEDRO Cn1cc(Br)cc1-c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001298799159 1064596572 /nfs/dbraw/zinc/59/65/72/1064596572.db2.gz XSLXQXYSWHOJLU-SFHVURJKSA-N 1 0 490.450 3.023 20 30 JGEDRO CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001298965655 1064753958 /nfs/dbraw/zinc/75/39/58/1064753958.db2.gz QINHJQMJFJZGFD-PGRDOPGGSA-N 1 0 451.619 3.146 20 30 JGEDRO CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001299033596 1064822012 /nfs/dbraw/zinc/82/20/12/1064822012.db2.gz OHMKKOKYJXDBQU-PBDKAQRYSA-N 1 0 493.656 3.059 20 30 JGEDRO CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001299033647 1064822269 /nfs/dbraw/zinc/82/22/69/1064822269.db2.gz OZDVBWJLIOESNK-MHBGZZOHSA-N 1 0 493.656 3.202 20 30 JGEDRO CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001299110040 1064918550 /nfs/dbraw/zinc/91/85/50/1064918550.db2.gz IGNYVBMDQBWNRS-OAQYLSRUSA-N 1 0 463.611 3.144 20 30 JGEDRO COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC001299992752 1065299287 /nfs/dbraw/zinc/29/92/87/1065299287.db2.gz SRZZTMPTPYNFJU-GBESFXJTSA-N 1 0 456.591 3.200 20 30 JGEDRO Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1C ZINC001492344803 1065459655 /nfs/dbraw/zinc/45/96/55/1065459655.db2.gz QZMBOVRFNBWXNL-DEOSSOPVSA-N 1 0 493.656 3.157 20 30 JGEDRO Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC001492393518 1065466216 /nfs/dbraw/zinc/46/62/16/1065466216.db2.gz MTDNTXRBOMKKRZ-MQSCRBSSSA-N 1 0 482.629 3.091 20 30 JGEDRO CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1(C)C ZINC001300804490 1065536374 /nfs/dbraw/zinc/53/63/74/1065536374.db2.gz PZIZYTDWMHDSDU-FGZHOGPDSA-N 1 0 452.603 3.035 20 30 JGEDRO CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1(C)C ZINC001300804492 1065536433 /nfs/dbraw/zinc/53/64/33/1065536433.db2.gz PZIZYTDWMHDSDU-YADHBBJMSA-N 1 0 452.603 3.035 20 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C=C(Br)Cn1c(-c2cccn2C)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC001300839454 1065575879 /nfs/dbraw/zinc/57/58/79/1065575879.db2.gz HQOXSPOACIFLQY-KRWDZBQOSA-N 1 0 451.413 3.129 20 30 JGEDRO C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001300840247 1065577414 /nfs/dbraw/zinc/57/74/14/1065577414.db2.gz VYPOVVGFXBLIJP-UHFFFAOYSA-N 1 0 479.386 3.228 20 30 JGEDRO C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC001300843428 1065582242 /nfs/dbraw/zinc/58/22/42/1065582242.db2.gz FPHTXVJMCMGTOO-QZTJIDSGSA-N 1 0 456.429 3.365 20 30 JGEDRO C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001300857952 1065611949 /nfs/dbraw/zinc/61/19/49/1065611949.db2.gz HREXHAKDZMKJAF-LJQANCHMSA-N 1 0 476.419 3.233 20 30 JGEDRO C=C(Br)Cn1c(COc2ccccc2OC)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001300862073 1065620533 /nfs/dbraw/zinc/62/05/33/1065620533.db2.gz QHNCTLQUPIAMPD-IAGOWNOFSA-N 1 0 462.392 3.447 20 30 JGEDRO C=C(Br)Cn1c(N2CC[NH+](CCC(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 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ZINC001300912646 1065713014 /nfs/dbraw/zinc/71/30/14/1065713014.db2.gz HWWZOZBTZWUKEE-VXKWHMMOSA-N 1 0 452.603 3.477 20 30 JGEDRO C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001300912645 1065713108 /nfs/dbraw/zinc/71/31/08/1065713108.db2.gz HWWZOZBTZWUKEE-FGZHOGPDSA-N 1 0 452.603 3.477 20 30 JGEDRO C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001300925569 1065723290 /nfs/dbraw/zinc/72/32/90/1065723290.db2.gz XNZSAQQFXSUXQN-UHFFFAOYSA-N 1 0 452.603 3.366 20 30 JGEDRO C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001300937275 1065739229 /nfs/dbraw/zinc/73/92/29/1065739229.db2.gz NEUPEOUGUUTVEN-DEOSSOPVSA-N 1 0 452.647 3.315 20 30 JGEDRO C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001300952460 1065755851 /nfs/dbraw/zinc/75/58/51/1065755851.db2.gz WIWUGEGIWUNCFF-WOJBJXKFSA-N 1 0 460.623 3.227 20 30 JGEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001300960762 1065768402 /nfs/dbraw/zinc/76/84/02/1065768402.db2.gz KDVMVFSOSIOLQQ-QHCPKHFHSA-N 1 0 452.647 3.470 20 30 JGEDRO C=C(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001300960761 1065768613 /nfs/dbraw/zinc/76/86/13/1065768613.db2.gz KDVMVFSOSIOLQQ-HSZRJFAPSA-N 1 0 452.647 3.470 20 30 JGEDRO C=C(C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001300970359 1065779660 /nfs/dbraw/zinc/77/96/60/1065779660.db2.gz RAYLWSGBJDVRQB-NRFANRHFSA-N 1 0 484.649 3.372 20 30 JGEDRO COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001300986770 1065799837 /nfs/dbraw/zinc/79/98/37/1065799837.db2.gz ZIGTYSXGGPEYMB-HXUWFJFHSA-N 1 0 452.603 3.466 20 30 JGEDRO C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001300994521 1065811946 /nfs/dbraw/zinc/81/19/46/1065811946.db2.gz WKCZMVZASRQADC-UHFFFAOYSA-N 1 0 487.718 3.221 20 30 JGEDRO C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001300997668 1065816612 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WXZWDAXALJJCFM-HSZRJFAPSA-N 1 0 463.630 3.277 20 30 JGEDRO CC(C)CC[NH+]1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CC1 ZINC001303091407 1067628219 /nfs/dbraw/zinc/62/82/19/1067628219.db2.gz UKALTXXOIFCWOQ-QFIPXVFZSA-N 1 0 476.691 3.068 20 30 JGEDRO CC(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001303118158 1067656533 /nfs/dbraw/zinc/65/65/33/1067656533.db2.gz SBTVDDHILZHEPU-UHFFFAOYSA-N 1 0 452.603 3.180 20 30 JGEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)C1 ZINC001303172204 1067705106 /nfs/dbraw/zinc/70/51/06/1067705106.db2.gz BXBCFJAGSFQCRZ-NRFANRHFSA-N 1 0 464.618 3.423 20 30 JGEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001303172502 1067705883 /nfs/dbraw/zinc/70/58/83/1067705883.db2.gz HVSBJEDPJVJGNL-SJLPKXTDSA-N 1 0 476.423 3.132 20 30 JGEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001303172503 1067705999 /nfs/dbraw/zinc/70/59/99/1067705999.db2.gz HVSBJEDPJVJGNL-WMZOPIPTSA-N 1 0 476.423 3.132 20 30 JGEDRO Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cs1 ZINC001304648004 1067715703 /nfs/dbraw/zinc/71/57/03/1067715703.db2.gz HNJHYUBBTVSECY-FDDCHVKYSA-N 1 0 479.654 3.235 20 30 JGEDRO CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCC(C)CC2)[C@@H](C)C1=O ZINC001303185720 1067721288 /nfs/dbraw/zinc/72/12/88/1067721288.db2.gz LIIKORHCOZBFSB-NRFANRHFSA-N 1 0 463.630 3.242 20 30 JGEDRO CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCC(C)CC2)[C@H](C)C1=O ZINC001303185721 1067721311 /nfs/dbraw/zinc/72/13/11/1067721311.db2.gz LIIKORHCOZBFSB-OAQYLSRUSA-N 1 0 463.630 3.242 20 30 JGEDRO CC(C)C[N@@H+]1CCO[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C)CC2)C1 ZINC001303204139 1067740678 /nfs/dbraw/zinc/74/06/78/1067740678.db2.gz JSTOICDUUGRUKI-QHCPKHFHSA-N 1 0 452.603 3.322 20 30 JGEDRO CC(C)COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001303213168 1067750712 /nfs/dbraw/zinc/75/07/12/1067750712.db2.gz NLLILTVSMYMOKA-UHFFFAOYSA-N 1 0 479.629 3.463 20 30 JGEDRO CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001303225062 1067761999 /nfs/dbraw/zinc/76/19/99/1067761999.db2.gz ABDXYPHRTRZOSU-HSZRJFAPSA-N 1 0 466.630 3.303 20 30 JGEDRO CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001303227205 1067762952 /nfs/dbraw/zinc/76/29/52/1067762952.db2.gz QOAGQVQKOGEBSN-NZQKXSOJSA-N 1 0 452.603 3.036 20 30 JGEDRO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001303251620 1067777546 /nfs/dbraw/zinc/77/75/46/1067777546.db2.gz FPOLGFISNHMPIT-QHCPKHFHSA-N 1 0 463.630 3.240 20 30 JGEDRO CC(C)[N@H+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 ZINC001303263842 1067791183 /nfs/dbraw/zinc/79/11/83/1067791183.db2.gz HBQFVNFLOBWGIT-DHIUTWEWSA-N 1 0 463.630 3.290 20 30 JGEDRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001304720274 1067791479 /nfs/dbraw/zinc/79/14/79/1067791479.db2.gz ONOWCIADGWDINL-XMMPIXPASA-N 1 0 464.643 3.241 20 30 JGEDRO Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCC[N@H+](C)C3CCCCC3)CC2)c1C#N ZINC001304730935 1067803492 /nfs/dbraw/zinc/80/34/92/1067803492.db2.gz KAJQGEYBZHHTKH-UHFFFAOYSA-N 1 0 481.693 3.470 20 30 JGEDRO CC(C)[NH+](CCCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C ZINC001303292894 1067818682 /nfs/dbraw/zinc/81/86/82/1067818682.db2.gz UAPYISPUFFBWSF-UHFFFAOYSA-N 1 0 450.635 3.333 20 30 JGEDRO CC(C)[NH+](CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)C ZINC001303299740 1067824546 /nfs/dbraw/zinc/82/45/46/1067824546.db2.gz ZIYBKIUSDTYRNZ-QFIPXVFZSA-N 1 0 451.619 3.099 20 30 JGEDRO CC(C)[NH+]1CCC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001303302986 1067828213 /nfs/dbraw/zinc/82/82/13/1067828213.db2.gz PLLYQVBNHFRSSG-UHFFFAOYSA-N 1 0 484.670 3.296 20 30 JGEDRO CC(C)[NH+]1CCC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001303302945 1067828219 /nfs/dbraw/zinc/82/82/19/1067828219.db2.gz OMLKLPDILDEZQL-UHFFFAOYSA-N 1 0 488.583 3.446 20 30 JGEDRO Cc1cc(C)n(Cc2nnc(N3CCN(c4cccc(F)c4C#N)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001304760676 1067846828 /nfs/dbraw/zinc/84/68/28/1067846828.db2.gz QKXFAPFNTVUHON-UHFFFAOYSA-N 1 0 493.635 3.065 20 30 JGEDRO Cc1nnc([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC[NH+](C(C)C)C(C)C)CCO2)o1 ZINC001304773414 1067866332 /nfs/dbraw/zinc/86/63/32/1067866332.db2.gz ABPVGEDHOXISJJ-NRFANRHFSA-N 1 0 464.574 3.205 20 30 JGEDRO Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001304847412 1067901977 /nfs/dbraw/zinc/90/19/77/1067901977.db2.gz KAQAVVZVLBUPKU-UHFFFAOYSA-N 1 0 489.571 3.331 20 30 JGEDRO Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001304847910 1067902370 /nfs/dbraw/zinc/90/23/70/1067902370.db2.gz SNXAAGPUUAUVOL-UHFFFAOYSA-N 1 0 475.563 3.445 20 30 JGEDRO Cc1noc([C@H](C)N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)n1 ZINC001304872361 1067914398 /nfs/dbraw/zinc/91/43/98/1067914398.db2.gz LICFRMFQRVSAGF-CVDCTZTESA-N 1 0 491.644 3.368 20 30 JGEDRO Cc1noc([C@@H](C)N2CCN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)n1 ZINC001304872360 1067914404 /nfs/dbraw/zinc/91/44/04/1067914404.db2.gz LICFRMFQRVSAGF-AUSIDOKSSA-N 1 0 491.644 3.368 20 30 JGEDRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCC[N@H+](C)C(C)C ZINC001303387310 1067915410 /nfs/dbraw/zinc/91/54/10/1067915410.db2.gz XEZQPCLSQDHROH-QHCPKHFHSA-N 1 0 465.646 3.477 20 30 JGEDRO CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCCC[NH+]1CCCC1 ZINC001303402915 1067931604 /nfs/dbraw/zinc/93/16/04/1067931604.db2.gz SEIAOBBOTVJKAN-UHFFFAOYSA-N 1 0 496.635 3.020 20 30 JGEDRO CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001303428077 1067953123 /nfs/dbraw/zinc/95/31/23/1067953123.db2.gz RZLZYZSTNJVLLS-UHFFFAOYSA-N 1 0 451.619 3.290 20 30 JGEDRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)C1 ZINC001304924708 1067967803 /nfs/dbraw/zinc/96/78/03/1067967803.db2.gz KBFVPRNYIUDARO-SFTDATJTSA-N 1 0 493.656 3.046 20 30 JGEDRO CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304926985 1067971745 /nfs/dbraw/zinc/97/17/45/1067971745.db2.gz VNHVHCKGRWVTKC-SFTDATJTSA-N 1 0 450.635 3.363 20 30 JGEDRO CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2CCN(c3cc[nH+]cc3)CC2)CCOC1 ZINC001303477010 1067996333 /nfs/dbraw/zinc/99/63/33/1067996333.db2.gz KCXSYDUWOFJNAN-CJFMBICVSA-N 1 0 467.618 3.369 20 30 JGEDRO CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@]2([NH+](C)C)CCSC2)CCOC1 ZINC001303481940 1068003594 /nfs/dbraw/zinc/00/35/94/1068003594.db2.gz OYRAIISJPDZOEF-JWQCQUIFSA-N 1 0 484.670 3.264 20 30 JGEDRO CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001304981783 1068022378 /nfs/dbraw/zinc/02/23/78/1068022378.db2.gz BEYZIQLGRHKJGD-DFBJGRDBSA-N 1 0 451.619 3.288 20 30 JGEDRO C[C@H]1CCC[C@](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)([NH+](C)C)C1 ZINC001304984050 1068026397 /nfs/dbraw/zinc/02/63/97/1068026397.db2.gz OOIRDMDKKAIMNI-DFBJGRDBSA-N 1 0 484.670 3.341 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304984521 1068027748 /nfs/dbraw/zinc/02/77/48/1068027748.db2.gz HSCWJGVWQGBYGY-UYXZNNOOSA-N 1 0 476.629 3.441 20 30 JGEDRO CC(C)OC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001303528128 1068057005 /nfs/dbraw/zinc/05/70/05/1068057005.db2.gz XXTCJRYJBBKLJN-HSZRJFAPSA-N 1 0 466.630 3.447 20 30 JGEDRO C[C@H]1CCCC[N@@H+]1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001305018150 1068062338 /nfs/dbraw/zinc/06/23/38/1068062338.db2.gz SENKOVZIFMAKOQ-NZQKXSOJSA-N 1 0 484.670 3.485 20 30 JGEDRO C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001305019389 1068065453 /nfs/dbraw/zinc/06/54/53/1068065453.db2.gz MDKBQHADNHHIIQ-VQTJNVASSA-N 1 0 479.677 3.463 20 30 JGEDRO CC(C)OC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC001303539154 1068068852 /nfs/dbraw/zinc/06/88/52/1068068852.db2.gz NQWBTJRJEDJVJF-ZCYQVOJMSA-N 1 0 496.656 3.479 20 30 JGEDRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(CCOc3ccccc3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001305021303 1068070883 /nfs/dbraw/zinc/07/08/83/1068070883.db2.gz UMSFFUITPAIFJJ-IFMALSPDSA-N 1 0 452.603 3.139 20 30 JGEDRO CC(C)OCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001303549084 1068075683 /nfs/dbraw/zinc/07/56/83/1068075683.db2.gz WWRGAYRHCVIQTD-FQEVSTJZSA-N 1 0 452.603 3.321 20 30 JGEDRO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(CCC#N)CC1CC1)[N@@H+]1CCC[C@H](C)C1 ZINC001305024660 1068079074 /nfs/dbraw/zinc/07/90/74/1068079074.db2.gz MHYOZRQWYBZNCZ-OALUTQOASA-N 1 0 450.591 3.176 20 30 JGEDRO C#CCN(CC(=O)N[C@@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1)C(=O)OC(C)(C)C ZINC001303569210 1068091854 /nfs/dbraw/zinc/09/18/54/1068091854.db2.gz YWDUGBLDPZMRFY-JOCHJYFZSA-N 1 0 455.599 3.187 20 30 JGEDRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccnc(OC(F)F)c2)CC1 ZINC001303570567 1068094524 /nfs/dbraw/zinc/09/45/24/1068094524.db2.gz SNGKJNDCCWEIPI-UHFFFAOYSA-N 1 0 497.550 3.408 20 30 JGEDRO C[C@@H]1CCC[N@H+](CCCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001305044656 1068102000 /nfs/dbraw/zinc/10/20/00/1068102000.db2.gz BGLJUHVKSRZGEN-WIYYLYMNSA-N 1 0 453.547 3.094 20 30 JGEDRO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001305057366 1068119778 /nfs/dbraw/zinc/11/97/78/1068119778.db2.gz BLHXJNSPOHGGNF-FQEVSTJZSA-N 1 0 463.630 3.384 20 30 JGEDRO C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC001305060925 1068125734 /nfs/dbraw/zinc/12/57/34/1068125734.db2.gz BRPJPTJJZNBHJE-XQBPLPMBSA-N 1 0 456.566 3.406 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001305068720 1068142787 /nfs/dbraw/zinc/14/27/87/1068142787.db2.gz YAKORQMQQOIBFN-RTWAWAEBSA-N 1 0 465.650 3.311 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303627691 1068157786 /nfs/dbraw/zinc/15/77/86/1068157786.db2.gz MZEVGYLJRWQAST-SFHVURJKSA-N 1 0 458.632 3.209 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001303630500 1068161527 /nfs/dbraw/zinc/16/15/27/1068161527.db2.gz YPBUMGIWUYNKND-UTKZUKDTSA-N 1 0 465.989 3.347 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001303630499 1068161577 /nfs/dbraw/zinc/16/15/77/1068161577.db2.gz YPBUMGIWUYNKND-LAUBAEHRSA-N 1 0 465.989 3.347 20 30 JGEDRO CC1CC[NH+](CCCn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001305107077 1068175828 /nfs/dbraw/zinc/17/58/28/1068175828.db2.gz XUBCHUCLJYNHOS-HSZRJFAPSA-N 1 0 484.670 3.342 20 30 JGEDRO CC1CC[NH+](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001305110022 1068180722 /nfs/dbraw/zinc/18/07/22/1068180722.db2.gz BULAOOSHNRGNCI-HXUWFJFHSA-N 1 0 478.519 3.228 20 30 JGEDRO C[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)[NH+]1CCCCC1 ZINC001303665187 1068198375 /nfs/dbraw/zinc/19/83/75/1068198375.db2.gz SHYMDULADIVSQX-AQNXPRMDSA-N 1 0 472.659 3.339 20 30 JGEDRO C[C@H](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1)[NH+]1CCCCC1 ZINC001303666256 1068200090 /nfs/dbraw/zinc/20/00/90/1068200090.db2.gz JLCGBKOMESMDKP-HXUWFJFHSA-N 1 0 452.603 3.202 20 30 JGEDRO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC001303692042 1068232707 /nfs/dbraw/zinc/23/27/07/1068232707.db2.gz OLZINGFFMKJQQL-XLIONFOSSA-N 1 0 498.429 3.295 20 30 JGEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+](C)C ZINC001303694036 1068236553 /nfs/dbraw/zinc/23/65/53/1068236553.db2.gz DCVAMFWOAJYJSI-ZWKOTPCHSA-N 1 0 453.591 3.212 20 30 JGEDRO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001305147005 1068248684 /nfs/dbraw/zinc/24/86/84/1068248684.db2.gz BJGJIDCUEYLRDW-RXVVDRJESA-N 1 0 465.602 3.262 20 30 JGEDRO C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305147006 1068248758 /nfs/dbraw/zinc/24/87/58/1068248758.db2.gz BJGJIDCUEYLRDW-WIYYLYMNSA-N 1 0 465.602 3.262 20 30 JGEDRO C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCSCC2)C[C@H](C(F)(F)F)O1 ZINC001305148532 1068251534 /nfs/dbraw/zinc/25/15/34/1068251534.db2.gz IUQMBZQQDABWLQ-CRAIPNDOSA-N 1 0 466.533 3.022 20 30 JGEDRO C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(CC#N)CC1)[NH+](C)C ZINC001303718414 1068266938 /nfs/dbraw/zinc/26/69/38/1068266938.db2.gz PNVHABVCAKYJCK-QUCCMNQESA-N 1 0 459.639 3.473 20 30 JGEDRO C[C@@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001303720718 1068269577 /nfs/dbraw/zinc/26/95/77/1068269577.db2.gz ZWXBZLZSDMVPBY-RBUKOAKNSA-N 1 0 459.639 3.473 20 30 JGEDRO C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001303747436 1068308637 /nfs/dbraw/zinc/30/86/37/1068308637.db2.gz QDLRGNQPLUQDFV-QGZVFWFLSA-N 1 0 462.520 3.442 20 30 JGEDRO C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC#N)C[NH+]1CCCCC1 ZINC001303751479 1068312412 /nfs/dbraw/zinc/31/24/12/1068312412.db2.gz KQZBQGOHXPFHIK-RTBURBONSA-N 1 0 458.632 3.209 20 30 JGEDRO C[C@@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N)C[NH+]1CCCCC1 ZINC001303753230 1068314603 /nfs/dbraw/zinc/31/46/03/1068314603.db2.gz MGCMPIWWONDRKE-NJYVYQBISA-N 1 0 489.665 3.447 20 30 JGEDRO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCC#N)CC1CC1)C[NH+]1CCOCC1 ZINC001303754266 1068316759 /nfs/dbraw/zinc/31/67/59/1068316759.db2.gz HLBYCFNZFXHWRX-INIZCTEOSA-N 1 0 476.423 3.134 20 30 JGEDRO CC(C)[NH+](CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1)C(C)C ZINC001305207820 1068335525 /nfs/dbraw/zinc/33/55/25/1068335525.db2.gz XCPOSHUIFBPAIU-DHLKQENFSA-N 1 0 495.672 3.004 20 30 JGEDRO C[C@@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001305221015 1068359436 /nfs/dbraw/zinc/35/94/36/1068359436.db2.gz IFSJOHXPGUHNSR-UXHICEINSA-N 1 0 470.643 3.171 20 30 JGEDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CC(F)(F)Br ZINC001305222784 1068364216 /nfs/dbraw/zinc/36/42/16/1068364216.db2.gz MUKSIFVUIAXAOM-BBRMVZONSA-N 1 0 451.319 3.477 20 30 JGEDRO CC(C)[NH+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)C(C)C ZINC001303824030 1068441520 /nfs/dbraw/zinc/44/15/20/1068441520.db2.gz UCYURPBZZIVTLR-FQEVSTJZSA-N 1 0 499.685 3.172 20 30 JGEDRO C[C@@]1(C#N)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[NH+]2CCOCC2)C1 ZINC001303937777 1068596288 /nfs/dbraw/zinc/59/62/88/1068596288.db2.gz UIVZDHGSIIROEM-NRFANRHFSA-N 1 0 476.423 3.278 20 30 JGEDRO C[C@]1(C#N)CCCN(c2nnc(COc3ccccc3F)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001303939588 1068599016 /nfs/dbraw/zinc/59/90/16/1068599016.db2.gz IDKSAPBJIFGMQI-NBGIEHNGSA-N 1 0 470.593 3.363 20 30 JGEDRO C[C@@]1(C#N)CCCN(c2nnc(CCc3ccccc3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001303939958 1068600191 /nfs/dbraw/zinc/60/01/91/1068600191.db2.gz PWTJQOXOJPXQFM-OZXSUGGESA-N 1 0 450.631 3.430 20 30 JGEDRO C[C@]1(C#N)CCCN(c2nnc(COc3ccc(F)cc3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001303940207 1068600814 /nfs/dbraw/zinc/60/08/14/1068600814.db2.gz VKMXBWKNHYLJQR-SQJMNOBHSA-N 1 0 470.593 3.363 20 30 JGEDRO CC[C@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(C)COCCO1 ZINC001305508225 1068746347 /nfs/dbraw/zinc/74/63/47/1068746347.db2.gz FOHRMSIRVKOITA-CPJSRVTESA-N 1 0 452.603 3.181 20 30 JGEDRO CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001305520468 1068772468 /nfs/dbraw/zinc/77/24/68/1068772468.db2.gz DANWVJRCBPWXLD-ICSRJNTNSA-N 1 0 455.655 3.008 20 30 JGEDRO CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001305520469 1068772906 /nfs/dbraw/zinc/77/29/06/1068772906.db2.gz DANWVJRCBPWXLD-QUCCMNQESA-N 1 0 455.655 3.008 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001305613627 1068889703 /nfs/dbraw/zinc/88/97/03/1068889703.db2.gz GQIJPVCXIIDERI-WWPVKYPJSA-N 1 0 452.603 3.352 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(COc2cccc(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001305618291 1068901432 /nfs/dbraw/zinc/90/14/32/1068901432.db2.gz FFPOBNYCOOPXAZ-QFIPXVFZSA-N 1 0 488.640 3.489 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001305620051 1068904673 /nfs/dbraw/zinc/90/46/73/1068904673.db2.gz KPYWEZURLAMNNX-VQTJNVASSA-N 1 0 465.650 3.118 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CCC2)C1 ZINC001305622907 1068911845 /nfs/dbraw/zinc/91/18/45/1068911845.db2.gz RHMRBJOMZWATOX-FQEVSTJZSA-N 1 0 452.603 3.466 20 30 JGEDRO CCC(CC)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C)[NH+](C)C ZINC001305715688 1069121204 /nfs/dbraw/zinc/12/12/04/1069121204.db2.gz NQFWWUYBGQNVOV-CYFREDJKSA-N 1 0 481.645 3.152 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1)[NH+](C)C ZINC001305717613 1069124897 /nfs/dbraw/zinc/12/48/97/1069124897.db2.gz USOCNNBQEAHKDS-LJQANCHMSA-N 1 0 457.648 3.376 20 30 JGEDRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1Cc1ccc(C#N)o1 ZINC001305787257 1069293048 /nfs/dbraw/zinc/29/30/48/1069293048.db2.gz HUIWUWRZKZGHJY-UHFFFAOYSA-N 1 0 475.597 3.074 20 30 JGEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)ncc3C#N)CC2)c2ccccc21 ZINC001164681780 719661760 /nfs/dbraw/zinc/66/17/60/719661760.db2.gz QUTILQIPOTWDAB-QGZVFWFLSA-N 1 0 452.990 3.095 20 30 JGEDRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(-c3cccc(C#N)c3)nnc1Cl)CC2 ZINC001164693750 719757212 /nfs/dbraw/zinc/75/72/12/719757212.db2.gz ZLCNHYVQGUVZOD-UHFFFAOYSA-N 1 0 474.943 3.394 20 30 JGEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)cc1 ZINC001164824607 720295160 /nfs/dbraw/zinc/29/51/60/720295160.db2.gz SFPLBTSSQYUVGO-HVCNVCAESA-N 1 0 458.610 3.352 20 30 JGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841557 720525025 /nfs/dbraw/zinc/52/50/25/720525025.db2.gz YXQGJMJRSMJFAZ-QWFCFKBJSA-N 1 0 456.978 3.358 20 30 JGEDRO CC(C)(C)C(=O)Nc1ccc(C#C[Si](C)(C)C)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737747 720736766 /nfs/dbraw/zinc/73/67/66/720736766.db2.gz CJTFKFYTDOHUOM-NHCUHLMSSA-N 1 0 492.700 3.427 20 30 JGEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cc1 ZINC001164747670 720813190 /nfs/dbraw/zinc/81/31/90/720813190.db2.gz OXHCOTVXGDYVGB-CONSUNNSSA-N 1 0 468.609 3.411 20 30 JGEDRO N#C[C@H](c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1)c1ccccc1F ZINC001164751885 720836509 /nfs/dbraw/zinc/83/65/09/720836509.db2.gz ZLCDDEZONNUWLN-VCWGXOKSSA-N 1 0 472.572 3.242 20 30 JGEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C#C[Si](C)(C)C)ccc3NC(=O)C(C)(C)C)CC[C@@H]2C1 ZINC001164858219 720867608 /nfs/dbraw/zinc/86/76/08/720867608.db2.gz RRTYPSPRTSIMNF-OFNKIYASSA-N 1 0 486.733 3.469 20 30 JGEDRO COc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(F)cc1C#N ZINC001164749927 720907405 /nfs/dbraw/zinc/90/74/05/720907405.db2.gz ILRKHGYVMHJOQO-PXDATVDWSA-N 1 0 451.546 3.251 20 30 JGEDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1c(C#N)c(Cl)nc3cccc(Cl)c31)CC2 ZINC001164754184 720970540 /nfs/dbraw/zinc/97/05/40/720970540.db2.gz OHZVTNYGYAPEBX-UHFFFAOYSA-N 1 0 459.337 3.255 20 30 JGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(F)c(C#N)cc4-c4ccnc(Cl)n4)C[C@H]3C2)cn1 ZINC001164766381 721139445 /nfs/dbraw/zinc/13/94/45/721139445.db2.gz KXRNGJHAACOPHN-FUHWJXTLSA-N 1 0 451.937 3.500 20 30 JGEDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)CC2)C1 ZINC001164879691 721294508 /nfs/dbraw/zinc/29/45/08/721294508.db2.gz ZLTXSXJNFKXLGE-UHFFFAOYSA-N 1 0 477.943 3.045 20 30 JGEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc([C@H](C#N)c5ccccc5F)nn4)C3)O2)CC1 ZINC001164888924 721421394 /nfs/dbraw/zinc/42/13/94/721421394.db2.gz PLMYQYAAKUOIKA-HXAGEGRHSA-N 1 0 464.589 3.037 20 30 JGEDRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cc(-c4ccc(C#N)cc4)nnc2Cl)CC3)CC1 ZINC001164796122 721522614 /nfs/dbraw/zinc/52/26/14/721522614.db2.gz VTBHNRUJIUQBFW-UHFFFAOYSA-N 1 0 498.969 3.178 20 30 JGEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cnc(Cl)nc2Oc2ccccc2C#N)CC1 ZINC001165012275 721749542 /nfs/dbraw/zinc/74/95/42/721749542.db2.gz FDUNSHUOPCFFDQ-UHFFFAOYSA-N 1 0 454.962 3.317 20 30 JGEDRO 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Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2([NH+](C)C)CCSC2)cc1C ZINC001492358640 1065419882 /nfs/dbraw/zinc/41/98/82/1065419882.db2.gz BTECVRFDHYXTOR-GOTSBHOMSA-N 1 0 458.607 3.353 20 30 JGEDRO C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001300798392 1065530702 /nfs/dbraw/zinc/53/07/02/1065530702.db2.gz NRHVZHFAQPUKHQ-KDYSTLNUSA-N 1 0 480.657 3.228 20 30 JGEDRO C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CC[N@@H+](C)[C@@H](C)CC ZINC001300802197 1065533758 /nfs/dbraw/zinc/53/37/58/1065533758.db2.gz JTWKNVSIUWJLGV-NBGIEHNGSA-N 1 0 450.635 3.175 20 30 JGEDRO C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001300824301 1065552310 /nfs/dbraw/zinc/55/23/10/1065552310.db2.gz QWPHDJXLYABBKJ-QZTJIDSGSA-N 1 0 467.456 3.416 20 30 JGEDRO C=C(Br)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001300829922 1065560389 /nfs/dbraw/zinc/56/03/89/1065560389.db2.gz MRSQDKBCBFHXNP-SFHVURJKSA-N 1 0 493.837 3.250 20 30 JGEDRO C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001300832130 1065564756 /nfs/dbraw/zinc/56/47/56/1065564756.db2.gz DWLRKRMCBVGROB-UHFFFAOYSA-N 1 0 460.380 3.201 20 30 JGEDRO C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC001300843430 1065582286 /nfs/dbraw/zinc/58/22/86/1065582286.db2.gz FPHTXVJMCMGTOO-ROUUACIJSA-N 1 0 456.429 3.365 20 30 JGEDRO C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC001300843934 1065583472 /nfs/dbraw/zinc/58/34/72/1065583472.db2.gz LKHHBBQYYKZPIN-ROUUACIJSA-N 1 0 456.429 3.018 20 30 JGEDRO C=C(Br)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001300849073 1065591896 /nfs/dbraw/zinc/59/18/96/1065591896.db2.gz LCCPJACRFJNRAE-QGZVFWFLSA-N 1 0 499.454 3.026 20 30 JGEDRO C=C(Br)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCSC[C@H]1C ZINC001300857359 1065609847 /nfs/dbraw/zinc/60/98/47/1065609847.db2.gz SDIKUDZIDYWDMS-LJQANCHMSA-N 1 0 491.503 3.493 20 30 JGEDRO C=C(Br)Cn1c(COc2ccc(C)cc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001300857950 1065611971 /nfs/dbraw/zinc/61/19/71/1065611971.db2.gz HREXHAKDZMKJAF-IBGZPJMESA-N 1 0 476.419 3.233 20 30 JGEDRO C=C(Br)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001300861253 1065618734 /nfs/dbraw/zinc/61/87/34/1065618734.db2.gz DESAUEVCOAZBMH-GOSISDBHSA-N 1 0 494.409 3.453 20 30 JGEDRO C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](C(C)C)CC1 ZINC001300873834 1065650938 /nfs/dbraw/zinc/65/09/38/1065650938.db2.gz HRADXZGFJDYWGZ-AUSIDOKSSA-N 1 0 455.603 3.474 20 30 JGEDRO C=C(C)CN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C1CC1)[NH+](C)C ZINC001300901718 1065698375 /nfs/dbraw/zinc/69/83/75/1065698375.db2.gz RDNVCFZBKYDILW-LJQANCHMSA-N 1 0 459.664 3.289 20 30 JGEDRO C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001300915030 1065715176 /nfs/dbraw/zinc/71/51/76/1065715176.db2.gz IPUNATSSFSYPDF-QPPBQGQZSA-N 1 0 468.646 3.467 20 30 JGEDRO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001300930708 1065730252 /nfs/dbraw/zinc/73/02/52/1065730252.db2.gz IYMJZVQIPJHGES-HXUWFJFHSA-N 1 0 471.403 3.467 20 30 JGEDRO COCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001300932001 1065732157 /nfs/dbraw/zinc/73/21/57/1065732157.db2.gz FXDPLBVSVDRSMY-LJQANCHMSA-N 1 0 452.603 3.179 20 30 JGEDRO C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001300935694 1065737403 /nfs/dbraw/zinc/73/74/03/1065737403.db2.gz YCLSPZPDTDQEKQ-SFHVURJKSA-N 1 0 471.602 3.237 20 30 JGEDRO C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001300944997 1065747587 /nfs/dbraw/zinc/74/75/87/1065747587.db2.gz NENUCVNEBPEXGY-SFHVURJKSA-N 1 0 459.436 3.500 20 30 JGEDRO COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001300948042 1065751121 /nfs/dbraw/zinc/75/11/21/1065751121.db2.gz BGMWBRLOZHRKFU-NRFANRHFSA-N 1 0 452.603 3.466 20 30 JGEDRO C=C(C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001300950398 1065753514 /nfs/dbraw/zinc/75/35/14/1065753514.db2.gz CIXQNJPEKXRMCL-RTWAWAEBSA-N 1 0 474.650 3.127 20 30 JGEDRO C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001300963008 1065771228 /nfs/dbraw/zinc/77/12/28/1065771228.db2.gz JKOIXLZUQCFMCC-OAQYLSRUSA-N 1 0 454.619 3.048 20 30 JGEDRO C=C(C)Cn1c(COc2ccccc2OCC)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001300963007 1065771431 /nfs/dbraw/zinc/77/14/31/1065771431.db2.gz JKOIXLZUQCFMCC-NRFANRHFSA-N 1 0 454.619 3.048 20 30 JGEDRO C=C(C)COCCn1c(-c2nn(CCC)c(=O)c3ccccc32)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001300992419 1065809462 /nfs/dbraw/zinc/80/94/62/1065809462.db2.gz YYGGZNUNBXGZCU-HXUWFJFHSA-N 1 0 479.629 3.188 20 30 JGEDRO C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001301014334 1065848296 /nfs/dbraw/zinc/84/82/96/1065848296.db2.gz YYSOKUXMJOBEQE-KRWDZBQOSA-N 1 0 493.439 3.304 20 30 JGEDRO 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CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001302974164 1067540564 /nfs/dbraw/zinc/54/05/64/1067540564.db2.gz DHSFYAJOPVEOOM-ZJSXRUAMSA-N 1 0 454.644 3.363 20 30 JGEDRO N#C[C@@]1(F)CCN(c2nnc(-c3ccccc3Br)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001302979216 1067544653 /nfs/dbraw/zinc/54/46/53/1067544653.db2.gz OQQCVNUKXKMQSY-VGSWGCGISA-N 1 0 491.409 3.386 20 30 JGEDRO N#Cc1cccc(-c2nnc(N3CCC(CNC(=O)C(F)(F)F)CC3)n2CC[NH+]2CCCCC2)c1 ZINC001302985701 1067548233 /nfs/dbraw/zinc/54/82/33/1067548233.db2.gz AVQCHHDFOMXJEB-UHFFFAOYSA-N 1 0 489.546 3.198 20 30 JGEDRO N#Cc1ccc(-c2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2CC(F)(F)Br)cc1 ZINC001302989089 1067550507 /nfs/dbraw/zinc/55/05/07/1067550507.db2.gz GRNGVFURVFSSMV-MRXNPFEDSA-N 1 0 451.319 3.479 20 30 JGEDRO Cc1cccc(-c2nnc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)n2CCCCCO)n1 ZINC001304478970 1067558038 /nfs/dbraw/zinc/55/80/38/1067558038.db2.gz LNHXWULUMAGPQL-UHFFFAOYSA-N 1 0 459.598 3.395 20 30 JGEDRO N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCC[NH+]2CCOCC2)CCO1 ZINC001303001587 1067558252 /nfs/dbraw/zinc/55/82/52/1067558252.db2.gz DWKNKTOMUOSNNP-QGZVFWFLSA-N 1 0 465.385 3.093 20 30 JGEDRO N#CCCN(CC1CC1)c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCC(O)CC1 ZINC001303013649 1067568261 /nfs/dbraw/zinc/56/82/61/1067568261.db2.gz HYRUUIJOJIQJBL-UHFFFAOYSA-N 1 0 476.423 3.013 20 30 JGEDRO Cc1cccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001304502464 1067576944 /nfs/dbraw/zinc/57/69/44/1067576944.db2.gz BKUAFSFIXYODES-HSZRJFAPSA-N 1 0 493.656 3.238 20 30 JGEDRO Cc1cccc(OCc2nnc(N3CCC(C)(C#N)CC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001304502465 1067576989 /nfs/dbraw/zinc/57/69/89/1067576989.db2.gz BKUAFSFIXYODES-QHCPKHFHSA-N 1 0 493.656 3.238 20 30 JGEDRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CC[C@](F)(C#N)C2)C1 ZINC001303203160 1067739101 /nfs/dbraw/zinc/73/91/01/1067739101.db2.gz CAMQRQCONNCXIK-RDGATRHJSA-N 1 0 454.594 3.252 20 30 JGEDRO Cc1ncc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2([NH+](C)C)CCOCC2)s1 ZINC001304693171 1067766297 /nfs/dbraw/zinc/76/62/97/1067766297.db2.gz GIHIPXNAMARGLZ-UHFFFAOYSA-N 1 0 481.626 3.241 20 30 JGEDRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOCC2(C)C)CC1 ZINC001303255776 1067782060 /nfs/dbraw/zinc/78/20/60/1067782060.db2.gz BNLUFWXIILRHLO-UHFFFAOYSA-N 1 0 479.673 3.484 20 30 JGEDRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3F)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001303256693 1067783816 /nfs/dbraw/zinc/78/38/16/1067783816.db2.gz OTJFFYDRZDIEPC-BZZOAKBMSA-N 1 0 495.603 3.167 20 30 JGEDRO CC(C)[N@H+](C)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 ZINC001303261571 1067788199 /nfs/dbraw/zinc/78/81/99/1067788199.db2.gz NLJUBEUIHZOYEP-HSZRJFAPSA-N 1 0 452.603 3.464 20 30 JGEDRO CC(C)[N@H+](C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC001303261744 1067788536 /nfs/dbraw/zinc/78/85/36/1067788536.db2.gz VBJFVTCUVANCJN-YADHBBJMSA-N 1 0 472.597 3.399 20 30 JGEDRO CC(C)[N@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001303263959 1067791583 /nfs/dbraw/zinc/79/15/83/1067791583.db2.gz RMSONGAMRMZSSS-OYRHEFFESA-N 1 0 453.635 3.092 20 30 JGEDRO CC(C)[N@H+](C)CCCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001303263964 1067791664 /nfs/dbraw/zinc/79/16/64/1067791664.db2.gz RSBYKIQOSVRCEO-UHFFFAOYSA-N 1 0 464.593 3.351 20 30 JGEDRO CC(C)[N@H+](C)CCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001303267722 1067794614 /nfs/dbraw/zinc/79/46/14/1067794614.db2.gz GQAXPOJDLOHCSN-DEOSSOPVSA-N 1 0 459.598 3.444 20 30 JGEDRO CC(C)[N@H+](C)CCCn1c(CCOc2ccccc2)nnc1N1CCc2[n-]c(=O)c(C#N)cc2C1 ZINC001303268979 1067797200 /nfs/dbraw/zinc/79/72/00/1067797200.db2.gz WHJQGKQZVSUFCM-UHFFFAOYSA-N 1 0 475.597 3.165 20 30 JGEDRO CC(C)[N@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001303269329 1067798231 /nfs/dbraw/zinc/79/82/31/1067798231.db2.gz YEKDUPHVVDNJLW-UHFFFAOYSA-N 1 0 479.629 3.050 20 30 JGEDRO CC(C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 ZINC001303270446 1067799135 /nfs/dbraw/zinc/79/91/35/1067799135.db2.gz AEIGOSZMTHKLNA-NRFANRHFSA-N 1 0 452.603 3.179 20 30 JGEDRO CC(C)[N@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1 ZINC001303277024 1067804666 /nfs/dbraw/zinc/80/46/66/1067804666.db2.gz QNKPYZLTTZLYQK-NTKDMRAZSA-N 1 0 475.638 3.057 20 30 JGEDRO CC(C)[NH+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)C ZINC001303299739 1067824481 /nfs/dbraw/zinc/82/44/81/1067824481.db2.gz ZIYBKIUSDTYRNZ-JOCHJYFZSA-N 1 0 451.619 3.099 20 30 JGEDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCOC(F)(F)F)C2)CC1 ZINC001303316641 1067843608 /nfs/dbraw/zinc/84/36/08/1067843608.db2.gz HJRHOJRZTVTQPC-OAQYLSRUSA-N 1 0 491.562 3.348 20 30 JGEDRO CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001303356268 1067884558 /nfs/dbraw/zinc/88/45/58/1067884558.db2.gz XYBDOMPPHBLELA-REWPJTCUSA-N 1 0 463.630 3.457 20 30 JGEDRO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001303414706 1067941524 /nfs/dbraw/zinc/94/15/24/1067941524.db2.gz OGJCQAKMFJJANS-REWPJTCUSA-N 1 0 479.629 3.130 20 30 JGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 ZINC001304924174 1067966597 /nfs/dbraw/zinc/96/65/97/1067966597.db2.gz HVKJZAJMLLBAKE-VWPQPMDRSA-N 1 0 463.630 3.277 20 30 JGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C#N)c2)C1 ZINC001304929283 1067977478 /nfs/dbraw/zinc/97/74/78/1067977478.db2.gz UHAHYOWLCYECRI-ZRCGQRJVSA-N 1 0 484.670 3.056 20 30 JGEDRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cccs2)CC1 ZINC001303464284 1067983530 /nfs/dbraw/zinc/98/35/30/1067983530.db2.gz GDSFVIBCSMKCTN-UHFFFAOYSA-N 1 0 463.611 3.275 20 30 JGEDRO CC(C)[NH2+]C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001303468129 1067987560 /nfs/dbraw/zinc/98/75/60/1067987560.db2.gz UGUURYSXWVTXOF-UHFFFAOYSA-N 1 0 474.613 3.205 20 30 JGEDRO C[C@@H]1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CCO1 ZINC001304942053 1067992856 /nfs/dbraw/zinc/99/28/56/1067992856.db2.gz LJQQRWPGPSQCLL-TZIWHRDSSA-N 1 0 452.603 3.464 20 30 JGEDRO CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCOC1 ZINC001303474481 1067993821 /nfs/dbraw/zinc/99/38/21/1067993821.db2.gz BEQHXPIBTTZQRQ-IDISGSTGSA-N 1 0 496.656 3.062 20 30 JGEDRO CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCOC1 ZINC001303474482 1067993913 /nfs/dbraw/zinc/99/39/13/1067993913.db2.gz BEQHXPIBTTZQRQ-JIPXPUAJSA-N 1 0 496.656 3.062 20 30 JGEDRO CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2CCN(c3cc[nH+]cc3)CC2)CCOC1 ZINC001303477012 1067996245 /nfs/dbraw/zinc/99/62/45/1067996245.db2.gz KCXSYDUWOFJNAN-CPJSRVTESA-N 1 0 467.618 3.369 20 30 JGEDRO CC(C)O[C@@]1(c2nnc(N(Cc3ccc(C#N)cc3)C3CC3)n2C[C@H](C)[NH+](C)C)CCOC1 ZINC001303487025 1068009433 /nfs/dbraw/zinc/00/94/33/1068009433.db2.gz GHTABNLBOWQMJO-DFBJGRDBSA-N 1 0 452.603 3.309 20 30 JGEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CC1 ZINC001304977467 1068016308 /nfs/dbraw/zinc/01/63/08/1068016308.db2.gz RUIIJTXTVBQEBP-WOJBJXKFSA-N 1 0 487.599 3.093 20 30 JGEDRO CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304983176 1068024656 /nfs/dbraw/zinc/02/46/56/1068024656.db2.gz JDTHUABZGXUYDL-RNHFSVANSA-N 1 0 465.650 3.289 20 30 JGEDRO CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCCCC2)CCO1 ZINC001303535883 1068064180 /nfs/dbraw/zinc/06/41/80/1068064180.db2.gz XBMBUIBQPPBRDA-HSZRJFAPSA-N 1 0 452.603 3.323 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001305019044 1068064851 /nfs/dbraw/zinc/06/48/51/1068064851.db2.gz VGWVHABWGVOJKF-RTBURBONSA-N 1 0 472.663 3.241 20 30 JGEDRO C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305025763 1068081781 /nfs/dbraw/zinc/08/17/81/1068081781.db2.gz UMTSVLVFLCMWFQ-FUHIMQAGSA-N 1 0 460.529 3.396 20 30 JGEDRO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305029257 1068087916 /nfs/dbraw/zinc/08/79/16/1068087916.db2.gz PPDHNCMIDMSGMY-MHTWAQMVSA-N 1 0 487.649 3.199 20 30 JGEDRO CC(C)OCC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCCC2)CC1 ZINC001303570279 1068093766 /nfs/dbraw/zinc/09/37/66/1068093766.db2.gz PGMAXKZPRYJHGO-UHFFFAOYSA-N 1 0 452.603 3.059 20 30 JGEDRO CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001305065352 1068136859 /nfs/dbraw/zinc/13/68/59/1068136859.db2.gz YLTINDDKASPJTA-FQEVSTJZSA-N 1 0 451.619 3.146 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC[N@H+](C)C1CCCCC1 ZINC001303629206 1068160152 /nfs/dbraw/zinc/16/01/52/1068160152.db2.gz JCWXGHRFMBVKDN-IBGZPJMESA-N 1 0 462.606 3.314 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2)n1CCC[NH+]1CCC(O)CC1 ZINC001303629649 1068160507 /nfs/dbraw/zinc/16/05/07/1068160507.db2.gz OXVJJZMIHNXYSW-MRXNPFEDSA-N 1 0 461.408 3.293 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001303630501 1068161477 /nfs/dbraw/zinc/16/14/77/1068161477.db2.gz YPBUMGIWUYNKND-UWJYYQICSA-N 1 0 465.989 3.347 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@]1(O)CCCC1(C)C ZINC001303637012 1068164990 /nfs/dbraw/zinc/16/49/90/1068164990.db2.gz RGJSVZAGCHAVOB-AMGIVPHBSA-N 1 0 479.673 3.322 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+]1CC=CCC1 ZINC001303637139 1068165367 /nfs/dbraw/zinc/16/53/67/1068165367.db2.gz UPXQMXJMUWNGFW-PMACEKPBSA-N 1 0 457.623 3.393 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001303641003 1068168372 /nfs/dbraw/zinc/16/83/72/1068168372.db2.gz OXIRDVYMFQNFKT-NFBKMPQASA-N 1 0 473.629 3.493 20 30 JGEDRO CC(C)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305103271 1068170083 /nfs/dbraw/zinc/17/00/83/1068170083.db2.gz DEOPUSBXABFHSV-UHFFFAOYSA-N 1 0 493.656 3.458 20 30 JGEDRO CC1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC001305110254 1068181164 /nfs/dbraw/zinc/18/11/64/1068181164.db2.gz HFBODBRURVUFPQ-UHFFFAOYSA-N 1 0 450.635 3.192 20 30 JGEDRO C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1F ZINC001305111243 1068182438 /nfs/dbraw/zinc/18/24/38/1068182438.db2.gz AHBLHWJHRXFJLE-GHDARCQNSA-N 1 0 470.593 3.411 20 30 JGEDRO C[C@H]1C[NH+](C(C)(C)Cn2c(N3CCN(c4ccc(C#N)cn4)CC3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305111357 1068182886 /nfs/dbraw/zinc/18/28/86/1068182886.db2.gz BPUNTVQJXKOXFV-PMACEKPBSA-N 1 0 480.661 3.057 20 30 JGEDRO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCn2cccn2)C[C@H](C)O1 ZINC001305115344 1068194042 /nfs/dbraw/zinc/19/40/42/1068194042.db2.gz XDWHXLKRKOZBOL-PMACEKPBSA-N 1 0 462.602 3.037 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001303663198 1068194474 /nfs/dbraw/zinc/19/44/74/1068194474.db2.gz LRJBYMSJWMNLKN-OALUTQOASA-N 1 0 458.632 3.351 20 30 JGEDRO C[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC001303664632 1068197282 /nfs/dbraw/zinc/19/72/82/1068197282.db2.gz MALUERLLRIFIBO-KNQAVFIVSA-N 1 0 470.643 3.095 20 30 JGEDRO C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001305123779 1068208791 /nfs/dbraw/zinc/20/87/91/1068208791.db2.gz ZEVIAHQYVMJWFW-HKUYNNGSSA-N 1 0 479.658 3.317 20 30 JGEDRO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CC=CCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305147721 1068249949 /nfs/dbraw/zinc/24/99/49/1068249949.db2.gz FCBOBIUHDQOEQC-SIKLNZKXSA-N 1 0 477.613 3.428 20 30 JGEDRO C[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)[NH+](C)C ZINC001303706197 1068250630 /nfs/dbraw/zinc/25/06/30/1068250630.db2.gz VRTGLMRYTIIPLD-QGZVFWFLSA-N 1 0 450.978 3.142 20 30 JGEDRO C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC[N@@H+]2CCC[C@H]2CO)C[C@H](C(F)(F)F)O1 ZINC001305148481 1068251547 /nfs/dbraw/zinc/25/15/47/1068251547.db2.gz IATIRKKDTMWOBE-JRGCBEDISA-N 1 0 492.546 3.210 20 30 JGEDRO C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCS(C)(=O)=O)CC[N@@H+](C2CCC2)C1 ZINC001305149816 1068254371 /nfs/dbraw/zinc/25/43/71/1068254371.db2.gz PSUKZSYUQSDORU-FQEVSTJZSA-N 1 0 484.670 3.342 20 30 JGEDRO C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2([NH+](C)C)CCSC2)C[C@H](C(F)(F)F)O1 ZINC001305150381 1068255919 /nfs/dbraw/zinc/25/59/19/1068255919.db2.gz KGDJIEWUWRTTQS-FQELHTAISA-N 1 0 480.560 3.410 20 30 JGEDRO CC(C)[NH+](CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1)C(C)C ZINC001305150811 1068256980 /nfs/dbraw/zinc/25/69/80/1068256980.db2.gz VJNWSWLNPJFWHD-NBGIEHNGSA-N 1 0 452.603 3.320 20 30 JGEDRO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@](C)(C#N)C1)C[NH+]1CCOCC1 ZINC001303757403 1068320594 /nfs/dbraw/zinc/32/05/94/1068320594.db2.gz WDZSJDVVWGEKDN-KKSFZXQISA-N 1 0 476.423 3.134 20 30 JGEDRO C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)CN1CCOCC1 ZINC001303764236 1068333602 /nfs/dbraw/zinc/33/36/02/1068333602.db2.gz RTZFJLGJAMWBGA-JOCHJYFZSA-N 1 0 495.672 3.008 20 30 JGEDRO C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)CN1CCOCC1 ZINC001303764243 1068333818 /nfs/dbraw/zinc/33/38/18/1068333818.db2.gz RTZFJLGJAMWBGA-QFIPXVFZSA-N 1 0 495.672 3.008 20 30 JGEDRO C[C@H](Cn1c(N2CCCN(c3ccccc3C#N)CC2)nnc1C(C)(C)C)C[NH+]1CCOCC1 ZINC001303765587 1068337125 /nfs/dbraw/zinc/33/71/25/1068337125.db2.gz ZTCFNYLDEHJWAV-NRFANRHFSA-N 1 0 465.646 3.132 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305219301 1068356554 /nfs/dbraw/zinc/35/65/54/1068356554.db2.gz AQHVEPVERLRVMN-ONUIULTDSA-N 1 0 489.665 3.286 20 30 JGEDRO C[C@H]1C[NH+](CCCn2c(COc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)C[C@H](C)O1 ZINC001305220479 1068358355 /nfs/dbraw/zinc/35/83/55/1068358355.db2.gz FZWXTCAAARHIJO-OALUTQOASA-N 1 0 456.566 3.235 20 30 JGEDRO C[C@@H]1C[NH+](CCCn2c(N3CCN(c4cccc(F)c4C#N)CC3)nnc2C(C)(C)C)C[C@@H](C)O1 ZINC001305220504 1068358580 /nfs/dbraw/zinc/35/85/80/1068358580.db2.gz GEXGIHVESFRIIY-WOJBJXKFSA-N 1 0 483.636 3.412 20 30 JGEDRO C[C@@H]1C[N@H+](CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(F)(F)F)CCCO1 ZINC001305223951 1068365487 /nfs/dbraw/zinc/36/54/87/1068365487.db2.gz VTQAIWPGFVUHSP-QGZVFWFLSA-N 1 0 466.508 3.228 20 30 JGEDRO C[C@H]1C[N@H+](CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCCCO2)CCCO1 ZINC001305224050 1068366015 /nfs/dbraw/zinc/36/60/15/1068366015.db2.gz WLXXOHMBFHMFSK-URXFXBBRSA-N 1 0 482.629 3.235 20 30 JGEDRO C[C@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001305229265 1068373892 /nfs/dbraw/zinc/37/38/92/1068373892.db2.gz QQLDXEFUKURHOF-FPOVZHCZSA-N 1 0 452.603 3.322 20 30 JGEDRO C[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001305229267 1068374182 /nfs/dbraw/zinc/37/41/82/1068374182.db2.gz QQLDXEFUKURHOF-TZIWHRDSSA-N 1 0 452.603 3.322 20 30 JGEDRO C[C@@H]([NH2+]C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1)c1ccccc1 ZINC001303804364 1068405121 /nfs/dbraw/zinc/40/51/21/1068405121.db2.gz SWUDWBGXBSIQKN-TZIWHRDSSA-N 1 0 484.670 3.440 20 30 JGEDRO C[C@@H]1[C@H](C)SCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001305257932 1068422631 /nfs/dbraw/zinc/42/26/31/1068422631.db2.gz LFTXSRCMSRXPCQ-URVUXULASA-N 1 0 484.670 3.296 20 30 JGEDRO CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001305276935 1068478055 /nfs/dbraw/zinc/47/80/55/1068478055.db2.gz JFWKQGLCAXEVGP-UHFFFAOYSA-N 1 0 451.619 3.436 20 30 JGEDRO C[C@@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1)C1CC1 ZINC001303882237 1068521075 /nfs/dbraw/zinc/52/10/75/1068521075.db2.gz UDWYYMZSAICCFM-HSZRJFAPSA-N 1 0 492.546 3.069 20 30 JGEDRO CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001305319837 1068536747 /nfs/dbraw/zinc/53/67/47/1068536747.db2.gz AQPYIZUNNPSSSO-RXFWQSSRSA-N 1 0 466.630 3.162 20 30 JGEDRO CC[C@H](C)[C@@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(C#N)CC1 ZINC001305336952 1068569577 /nfs/dbraw/zinc/56/95/77/1068569577.db2.gz VFGINJCDVUCCGL-CUNXSJBXSA-N 1 0 479.673 3.180 20 30 JGEDRO CC1(C#N)CCN(c2nnc(COc3ccccc3F)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001303943829 1068604556 /nfs/dbraw/zinc/60/45/56/1068604556.db2.gz FHZRXSTVVXBKAX-HXUWFJFHSA-N 1 0 470.593 3.363 20 30 JGEDRO CC1(C#N)CCN(c2nnc(COc3ccccc3F)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001303943828 1068604680 /nfs/dbraw/zinc/60/46/80/1068604680.db2.gz FHZRXSTVVXBKAX-FQEVSTJZSA-N 1 0 470.593 3.363 20 30 JGEDRO CC[C@@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(C)COCCO1 ZINC001305508227 1068746316 /nfs/dbraw/zinc/74/63/16/1068746316.db2.gz FOHRMSIRVKOITA-NLFFAJNJSA-N 1 0 452.603 3.181 20 30 JGEDRO CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccccc1OCC[NH+](C)C ZINC001305531757 1068788561 /nfs/dbraw/zinc/78/85/61/1068788561.db2.gz GYGFQGASOFKWEG-OAQYLSRUSA-N 1 0 488.640 3.374 20 30 JGEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C#N)C1 ZINC001305604493 1068870015 /nfs/dbraw/zinc/87/00/15/1068870015.db2.gz FYMRCEFZACNWBE-GDBMZVCRSA-N 1 0 465.371 3.306 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001305613624 1068889374 /nfs/dbraw/zinc/88/93/74/1068889374.db2.gz GQIJPVCXIIDERI-PMOQBDJRSA-N 1 0 452.603 3.352 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 ZINC001305616061 1068894940 /nfs/dbraw/zinc/89/49/40/1068894940.db2.gz DUOVNRPSUFKGAG-AZUAARDMSA-N 1 0 475.638 3.057 20 30 JGEDRO CC[C@@H](C)[N@H+](C)CCn1c(COc2cccc(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001305618283 1068901220 /nfs/dbraw/zinc/90/12/20/1068901220.db2.gz FFPOBNYCOOPXAZ-JOCHJYFZSA-N 1 0 488.640 3.489 20 30 JGEDRO CC[C@@H](C)[N@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001305619672 1068903988 /nfs/dbraw/zinc/90/39/88/1068903988.db2.gz HCTOTJKZTCJQIF-HXUWFJFHSA-N 1 0 492.603 3.320 20 30 JGEDRO CC[C@@H](C)[N@H+](C)CCn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001305620052 1068904761 /nfs/dbraw/zinc/90/47/61/1068904761.db2.gz KPYWEZURLAMNNX-WOJBJXKFSA-N 1 0 465.650 3.118 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 ZINC001305623632 1068914974 /nfs/dbraw/zinc/91/49/74/1068914974.db2.gz ZBQMXUSAJYBPJQ-XUZZJYLKSA-N 1 0 477.657 3.462 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001305703031 1069085380 /nfs/dbraw/zinc/08/53/80/1069085380.db2.gz FJUUOUKXKLAXDS-DNQXCXABSA-N 1 0 494.640 3.343 20 30 JGEDRO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001305703937 1069088832 /nfs/dbraw/zinc/08/88/32/1069088832.db2.gz CWEPJKAYRBKMQU-IBGZPJMESA-N 1 0 452.607 3.422 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001305707932 1069099304 /nfs/dbraw/zinc/09/93/04/1069099304.db2.gz IDAROMQVRZYXDL-BJKOFHAPSA-N 1 0 494.640 3.343 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(OC)C1)[NH+]1CCOCC1 ZINC001305709895 1069106082 /nfs/dbraw/zinc/10/60/82/1069106082.db2.gz RUOJAUUOTBVGLM-JOCHJYFZSA-N 1 0 452.603 3.179 20 30 JGEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCOC1)[NH+]1CCOCC1 ZINC001305710913 1069108951 /nfs/dbraw/zinc/10/89/51/1069108951.db2.gz XSPMYBHJHDKDIO-GOTSBHOMSA-N 1 0 452.603 3.179 20 30 JGEDRO CCC(CC)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1)[NH+]1CCOCC1 ZINC001305715723 1069121046 /nfs/dbraw/zinc/12/10/46/1069121046.db2.gz OASQHJYNQXCTJW-WBADGQHESA-N 1 0 488.677 3.062 20 30 JGEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc(C#C[Si](C)(C)C)c3C(=O)OC)CC2)CC1 ZINC001164616359 719029593 /nfs/dbraw/zinc/02/95/93/719029593.db2.gz BTMSKQQVAWLSBN-UHFFFAOYSA-N 1 0 471.674 3.341 20 30 JGEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)nn2)cc1 ZINC001164811933 720213594 /nfs/dbraw/zinc/21/35/94/720213594.db2.gz KGWRXEOGZPLYTL-JOCHJYFZSA-N 1 0 457.582 3.248 20 30 JGEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164830133 720327431 /nfs/dbraw/zinc/32/74/31/720327431.db2.gz OPAKOARLVZULEB-FCHUYYIVSA-N 1 0 482.701 3.009 20 30 JGEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164830140 720327998 /nfs/dbraw/zinc/32/79/98/720327998.db2.gz OPAKOARLVZULEB-FGZHOGPDSA-N 1 0 482.701 3.009 20 30 JGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164841558 720524519 /nfs/dbraw/zinc/52/45/19/720524519.db2.gz YXQGJMJRSMJFAZ-WSTZPKSXSA-N 1 0 456.978 3.358 20 30 JGEDRO COc1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C#N)c(Cl)n1 ZINC001164743128 720836155 /nfs/dbraw/zinc/83/61/55/720836155.db2.gz ITTIZIIPBJIWFC-JTDSTZFVSA-N 1 0 477.947 3.131 20 30 JGEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C#C[Si](C)(C)C)ccc3NC(=O)C(C)(C)C)CC[C@H]2C1 ZINC001164858221 720867572 /nfs/dbraw/zinc/86/75/72/720867572.db2.gz RRTYPSPRTSIMNF-REWPJTCUSA-N 1 0 486.733 3.469 20 30 JGEDRO C=CCNC(=O)c1cccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755009 720911133 /nfs/dbraw/zinc/91/11/33/720911133.db2.gz XUNYXFYIQMZLIL-WNCULLNHSA-N 1 0 461.610 3.148 20 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482.677 3.355 20 30 JGEDRO C=C(C)COCCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001300991874 1065808464 /nfs/dbraw/zinc/80/84/64/1065808464.db2.gz WWSXRCDQWQMJGH-HXUWFJFHSA-N 1 0 475.584 3.288 20 30 JGEDRO C=C(C)COCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001301000521 1065823151 /nfs/dbraw/zinc/82/31/51/1065823151.db2.gz SFXQAUSCFWGJMA-UHFFFAOYSA-N 1 0 469.630 3.368 20 30 JGEDRO C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001301018427 1065850959 /nfs/dbraw/zinc/85/09/59/1065850959.db2.gz CKGQZEFFVPWYKS-HZPDHXFCSA-N 1 0 466.055 3.218 20 30 JGEDRO C=C(Cl)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001301018428 1065851688 /nfs/dbraw/zinc/85/16/88/1065851688.db2.gz CKGQZEFFVPWYKS-JKSUJKDBSA-N 1 0 466.055 3.218 20 30 JGEDRO C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001301044837 1065890637 /nfs/dbraw/zinc/89/06/37/1065890637.db2.gz MUPSDXNNTSKNPN-KURKYZTESA-N 1 0 467.014 3.012 20 30 JGEDRO 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1068314697 /nfs/dbraw/zinc/31/46/97/1068314697.db2.gz MGCMPIWWONDRKE-HKBOAZHASA-N 1 0 489.665 3.447 20 30 JGEDRO C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)C[NH+](C)C)CCN1CC(F)(F)F ZINC001305206705 1068333648 /nfs/dbraw/zinc/33/36/48/1068333648.db2.gz TYXXTYZPSGZCMP-GOSISDBHSA-N 1 0 493.578 3.389 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001305219303 1068356152 /nfs/dbraw/zinc/35/61/52/1068356152.db2.gz AQHVEPVERLRVMN-XIYVOTBMSA-N 1 0 489.665 3.286 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001305219299 1068356325 /nfs/dbraw/zinc/35/63/25/1068356325.db2.gz AQHVEPVERLRVMN-JRSUCEMESA-N 1 0 489.665 3.286 20 30 JGEDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(COc2ccc(C#N)cc2)n1CCCNC(=O)OC(C)(C)C ZINC001305219871 1068356845 /nfs/dbraw/zinc/35/68/45/1068356845.db2.gz CTTSJXUBNGMKIS-FPOVZHCZSA-N 1 0 495.628 3.316 20 30 JGEDRO C[C@@H]1C[N@H+](CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)CC2CC(F)C2)CCCO1 ZINC001305221554 1068360239 /nfs/dbraw/zinc/36/02/39/1068360239.db2.gz KDEKESKJOBWZDA-JSRJAPPDSA-N 1 0 470.593 3.414 20 30 JGEDRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001305264095 1068440538 /nfs/dbraw/zinc/44/05/38/1068440538.db2.gz KDPNFBRIQRFWGD-JOCHJYFZSA-N 1 0 463.630 3.434 20 30 JGEDRO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001305319832 1068536499 /nfs/dbraw/zinc/53/64/99/1068536499.db2.gz AQPYIZUNNPSSSO-FNZWTVRRSA-N 1 0 466.630 3.162 20 30 JGEDRO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001305324724 1068545227 /nfs/dbraw/zinc/54/52/27/1068545227.db2.gz SXFAKTFLXJCWGG-ZBLYBZFDSA-N 1 0 490.656 3.411 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001303916471 1068568041 /nfs/dbraw/zinc/56/80/41/1068568041.db2.gz IZZNSSBPNZNRPI-MOPGFXCFSA-N 1 0 457.598 3.322 20 30 JGEDRO C[C@@]1(C#N)CCCN(c2nnc(COc3ccccc3F)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001303939587 1068599229 /nfs/dbraw/zinc/59/92/29/1068599229.db2.gz IDKSAPBJIFGMQI-CPJSRVTESA-N 1 0 470.593 3.363 20 30 JGEDRO CC1(C#N)CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001303940565 1068600786 /nfs/dbraw/zinc/60/07/86/1068600786.db2.gz CKLBQNIWIQYFEE-UHFFFAOYSA-N 1 0 476.423 3.278 20 30 JGEDRO CC1(C#N)CCN(c2nnc(COc3ccc(F)cc3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001303944818 1068606077 /nfs/dbraw/zinc/60/60/77/1068606077.db2.gz ZSEMRIUBKHWBFD-NRFANRHFSA-N 1 0 470.593 3.363 20 30 JGEDRO CC[C@@H](C)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001305442248 1068677598 /nfs/dbraw/zinc/67/75/98/1068677598.db2.gz DWAWJPXTKUCHRW-XMVGPFMNSA-N 1 0 483.661 3.410 20 30 JGEDRO CC[C@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@]1(C)COCCO1 ZINC001305508226 1068746439 /nfs/dbraw/zinc/74/64/39/1068746439.db2.gz FOHRMSIRVKOITA-NBGIEHNGSA-N 1 0 452.603 3.181 20 30 JGEDRO CC[C@H](C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC[NH+]1CCSCC1 ZINC001305521548 1068773928 /nfs/dbraw/zinc/77/39/28/1068773928.db2.gz JBTSDZGRUCQPOO-SFHVURJKSA-N 1 0 457.623 3.178 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001305609522 1068882684 /nfs/dbraw/zinc/88/26/84/1068882684.db2.gz VGYNCTGQFRMYPK-INIZCTEOSA-N 1 0 450.509 3.441 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001305609910 1068883155 /nfs/dbraw/zinc/88/31/55/1068883155.db2.gz FQHYHRVNQLKKKH-FQEVSTJZSA-N 1 0 474.613 3.277 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001305622699 1068911774 /nfs/dbraw/zinc/91/17/74/1068911774.db2.gz SNBLCELLMSVWBZ-FQEVSTJZSA-N 1 0 488.640 3.483 20 30 JGEDRO CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1)OC ZINC001305686814 1069048427 /nfs/dbraw/zinc/04/84/27/1069048427.db2.gz INEDDUNDFBCOJD-UHFFFAOYSA-N 1 0 476.629 3.468 20 30 JGEDRO CCC(CC)[C@H](Cn1c(C)nnc1N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[NH+](C)C ZINC001305705962 1069094004 /nfs/dbraw/zinc/09/40/04/1069094004.db2.gz RWMRCESMEIHGPI-FQEVSTJZSA-N 1 0 466.590 3.399 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001305707936 1069099347 /nfs/dbraw/zinc/09/93/47/1069099347.db2.gz IDAROMQVRZYXDL-DNQXCXABSA-N 1 0 494.640 3.343 20 30 JGEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)[NH+](C)C ZINC001305710805 1069108862 /nfs/dbraw/zinc/10/88/62/1069108862.db2.gz KZNVLLQHBVDWBA-GGAORHGYSA-N 1 0 450.635 3.192 20 30 JGEDRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)[NH+]1CCOCC1 ZINC001305711115 1069109434 /nfs/dbraw/zinc/10/94/34/1069109434.db2.gz APWOUTKXACMVBG-GOTSBHOMSA-N 1 0 471.694 3.180 20 30 JGEDRO CCC(CC)[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C#N)C1)[NH+]1CCOCC1 ZINC001305717710 1069124837 /nfs/dbraw/zinc/12/48/37/1069124837.db2.gz WBTYWDMUALPCQW-RPWUZVMVSA-N 1 0 496.656 3.340 20 30 JGEDRO CCC(CC)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)[NH+](C)C ZINC001305717798 1069125536 /nfs/dbraw/zinc/12/55/36/1069125536.db2.gz UZYAFAGZXBFUDT-PKTZIBPZSA-N 1 0 480.661 3.479 20 30 JGEDRO CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001305755788 1069208137 /nfs/dbraw/zinc/20/81/37/1069208137.db2.gz NRXAFKPZMVIQFB-LVXARBLLSA-N 1 0 497.619 3.484 20 30 JGEDRO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1Cc1ccc(C#N)o1 ZINC001305756489 1069210687 /nfs/dbraw/zinc/21/06/87/1069210687.db2.gz XMTFGSWBQVVUBP-NRFANRHFSA-N 1 0 475.597 3.420 20 30 JGEDRO CCC(CC)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001305775623 1069257728 /nfs/dbraw/zinc/25/77/28/1069257728.db2.gz BSJMMRQFVCETLA-XMMPIXPASA-N 1 0 492.672 3.125 20 30 JGEDRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)C2 ZINC001164432663 718968126 /nfs/dbraw/zinc/96/81/26/718968126.db2.gz IFUWUCLJZXOOIW-LSDHHAIUSA-N 1 0 473.229 3.326 20 30 JGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683583 719629589 /nfs/dbraw/zinc/62/95/89/719629589.db2.gz TUJDZNVXSUSGCJ-UHFFFAOYSA-N 1 0 466.920 3.063 20 30 JGEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)cnc3C#N)CC2)c2ccccc21 ZINC001164683340 719661708 /nfs/dbraw/zinc/66/17/08/719661708.db2.gz VCCSQZFHVYRXGJ-QGZVFWFLSA-N 1 0 452.990 3.095 20 30 JGEDRO C=CCOc1cc(C)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164686878 719668999 /nfs/dbraw/zinc/66/89/99/719668999.db2.gz YQQHMZWDRDJYKG-NRFANRHFSA-N 1 0 463.626 3.443 20 30 JGEDRO C=CCOc1cc(C)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164686882 719669101 /nfs/dbraw/zinc/66/91/01/719669101.db2.gz YQQHMZWDRDJYKG-OAQYLSRUSA-N 1 0 463.626 3.443 20 30 JGEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164706749 719902100 /nfs/dbraw/zinc/90/21/00/719902100.db2.gz KDVBNRCLHPSPRN-LJQANCHMSA-N 1 0 469.611 3.358 20 30 JGEDRO Cn1nnc2c1CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716242 720169040 /nfs/dbraw/zinc/16/90/40/720169040.db2.gz ZFUKHVOJTXJTDO-HSZRJFAPSA-N 1 0 461.545 3.104 20 30 JGEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c12 ZINC001164717228 720208261 /nfs/dbraw/zinc/20/82/61/720208261.db2.gz GWGXHEONMLZKFX-FQEVSTJZSA-N 1 0 465.989 3.413 20 30 JGEDRO Cc1nc(Cl)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C#N ZINC001164755010 720891944 /nfs/dbraw/zinc/89/19/44/720891944.db2.gz KDJBGOUTQGQYRN-GBXCKJPGSA-N 1 0 452.990 3.460 20 30 JGEDRO Cc1nc(Cl)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C#N ZINC001164755014 720892076 /nfs/dbraw/zinc/89/20/76/720892076.db2.gz KDJBGOUTQGQYRN-RDPSFJRHSA-N 1 0 452.990 3.460 20 30 JGEDRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(-c4cccc(C#N)c4)nnc3Cl)CC[C@H]2C1 ZINC001164861003 720892668 /nfs/dbraw/zinc/89/26/68/720892668.db2.gz XCFQWOFALZDWJI-RXVVDRJESA-N 1 0 477.943 3.387 20 30 JGEDRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cc(-c4cccc(C#N)c4)nnc2Cl)CC3)CC1 ZINC001164794337 721522512 /nfs/dbraw/zinc/52/25/12/721522512.db2.gz BVAZLHKUBSEOBB-UHFFFAOYSA-N 1 0 498.969 3.178 20 30 JGEDRO COc1cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(C#N)c(Cl)n1 ZINC001164978235 722128077 /nfs/dbraw/zinc/12/80/77/722128077.db2.gz NZYVBJOCNONNBB-QFBILLFUSA-N 1 0 463.916 3.282 20 30 JGEDRO COc1cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(C#N)c(Cl)n1 ZINC001164978233 722128472 /nfs/dbraw/zinc/12/84/72/722128472.db2.gz NZYVBJOCNONNBB-LPHOPBHVSA-N 1 0 463.916 3.282 20 30 JGEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982157 722129837 /nfs/dbraw/zinc/12/98/37/722129837.db2.gz REANMMPUYLLURL-PKTZIBPZSA-N 1 0 478.669 3.219 20 30 JGEDRO CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](F)(C#N)C1)[NH+]1CCCC1 ZINC001305807393 1069336137 /nfs/dbraw/zinc/33/61/37/1069336137.db2.gz ANCSPSKVAIANAH-HNAYVOBHSA-N 1 0 450.360 3.352 20 30 JGEDRO 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COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001301886672 1066898466 /nfs/dbraw/zinc/89/84/66/1066898466.db2.gz YWANBBQITXPFSH-XMMPIXPASA-N 1 0 465.646 3.096 20 30 JGEDRO COCC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C(C)(C)C)s2)C[C@H]1C ZINC001301888847 1066904679 /nfs/dbraw/zinc/90/46/79/1066904679.db2.gz QUYDSTFGUQNEIY-QGZVFWFLSA-N 1 0 480.642 3.171 20 30 JGEDRO CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001301889664 1066908227 /nfs/dbraw/zinc/90/82/27/1066908227.db2.gz AUXFBGSCOAYSLM-XMMPIXPASA-N 1 0 493.656 3.202 20 30 JGEDRO COCC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2Cl)C[C@@H]1C ZINC001301893050 1066913994 /nfs/dbraw/zinc/91/39/94/1066913994.db2.gz ZPPKFGYMKQJDAU-SFHVURJKSA-N 1 0 481.988 3.101 20 30 JGEDRO CC(C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)C(F)(F)F ZINC001302335107 1066934781 /nfs/dbraw/zinc/93/47/81/1066934781.db2.gz RXXOSKZHZINKPH-UHFFFAOYSA-N 1 0 489.546 3.150 20 30 JGEDRO COCC[N@@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2sc(C)nc2C)C[C@@H]1C ZINC001301927412 1066962168 /nfs/dbraw/zinc/96/21/68/1066962168.db2.gz FKGUCHPHYJQVIA-KRWDZBQOSA-N 1 0 481.626 3.007 20 30 JGEDRO CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001302380990 1066964499 /nfs/dbraw/zinc/96/44/99/1066964499.db2.gz RYSAPPAFVMRCES-QNIAMRLHSA-N 1 0 452.603 3.464 20 30 JGEDRO COCC[N@@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCS2)C[C@@H]1C ZINC001301928055 1066965253 /nfs/dbraw/zinc/96/52/53/1066965253.db2.gz RVPSBBCAFUZMHG-SIKLNZKXSA-N 1 0 470.643 3.171 20 30 JGEDRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001302431041 1067018181 /nfs/dbraw/zinc/01/81/81/1067018181.db2.gz GNBDLPKAFDIGQA-IFMALSPDSA-N 1 0 463.630 3.290 20 30 JGEDRO Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001304059823 1067103535 /nfs/dbraw/zinc/10/35/35/1067103535.db2.gz ZEICEXNLFPZDRZ-MSOLQXFVSA-N 1 0 472.663 3.017 20 30 JGEDRO CC(C)[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CC#N)[NH+]1CCCC1 ZINC001302514374 1067130652 /nfs/dbraw/zinc/13/06/52/1067130652.db2.gz BZTCPNSAMDOPKP-AZUAARDMSA-N 1 0 472.663 3.097 20 30 JGEDRO CC(C)[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC#N)[NH+]1CCCC1 ZINC001302514519 1067130672 /nfs/dbraw/zinc/13/06/72/1067130672.db2.gz BZTCPNSAMDOPKP-QUCCMNQESA-N 1 0 472.663 3.097 20 30 JGEDRO CC(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1)[NH+]1CCCC1 ZINC001302527261 1067153447 /nfs/dbraw/zinc/15/34/47/1067153447.db2.gz BIMXLLLKIVNWAG-ZJSXRUAMSA-N 1 0 451.550 3.291 20 30 JGEDRO CS[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001302548467 1067184629 /nfs/dbraw/zinc/18/46/29/1067184629.db2.gz PFJYBJQSJXIMDW-KNQAVFIVSA-N 1 0 453.660 3.173 20 30 JGEDRO CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCNC(=O)C2CCC2)CC[NH+](C)CC1 ZINC001302599224 1067235642 /nfs/dbraw/zinc/23/56/42/1067235642.db2.gz IQROFNXFRFGJGZ-UHFFFAOYSA-N 1 0 495.697 3.387 20 30 JGEDRO CC(C)(C)OC(=O)NC1(CC(=O)N2CCO[C@@](C)(C#N)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001304193054 1067243558 /nfs/dbraw/zinc/24/35/58/1067243558.db2.gz NBIVTRKIRYGWCH-DEOSSOPVSA-N 1 0 456.587 3.077 20 30 JGEDRO Cc1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)CC#N)cc(N2CCCC2)[nH+]1 ZINC001304210912 1067255114 /nfs/dbraw/zinc/25/51/14/1067255114.db2.gz JWPDONFDLYLDOO-SFHVURJKSA-N 1 0 459.558 3.016 20 30 JGEDRO CS[C@@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001302677154 1067303026 /nfs/dbraw/zinc/30/30/26/1067303026.db2.gz IZFHAKUJMVCXOX-JTHBVZDNSA-N 1 0 484.670 3.297 20 30 JGEDRO CSCCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001302743335 1067352963 /nfs/dbraw/zinc/35/29/63/1067352963.db2.gz CFUSVQLOLRFMEX-UHFFFAOYSA-N 1 0 481.670 3.094 20 30 JGEDRO CSCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001302764878 1067365180 /nfs/dbraw/zinc/36/51/80/1067365180.db2.gz RRVHWIJOBAVLPP-UHFFFAOYSA-N 1 0 464.643 3.406 20 30 JGEDRO Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[NH+]2CCC(C)CC2)cc1Br ZINC001304325660 1067374647 /nfs/dbraw/zinc/37/46/47/1067374647.db2.gz JMRRVRWHEWEFIQ-IBGZPJMESA-N 1 0 473.419 3.477 20 30 JGEDRO CC(C)C[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1)[NH+](C)C ZINC001302812695 1067399903 /nfs/dbraw/zinc/39/99/03/1067399903.db2.gz SBWADCKOMQCHJO-IAGOWNOFSA-N 1 0 461.408 3.413 20 30 JGEDRO CC(C)C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)[NH+](C)C ZINC001302819721 1067407123 /nfs/dbraw/zinc/40/71/23/1067407123.db2.gz MYIPOBLRFGUBMU-VQTJNVASSA-N 1 0 469.609 3.096 20 30 JGEDRO CC(C)C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)[NH+](C)C ZINC001302823240 1067412568 /nfs/dbraw/zinc/41/25/68/1067412568.db2.gz RUODUXIWGQXXLN-QFIPXVFZSA-N 1 0 478.670 3.500 20 30 JGEDRO CC(C)C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1)[NH+](C)C ZINC001302824855 1067414205 /nfs/dbraw/zinc/41/42/05/1067414205.db2.gz VBKIVUQVAZELGX-UFYCRDLUSA-N 1 0 475.638 3.055 20 30 JGEDRO C[C@@H]1CN(CCN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2([NH+](C)C)CCCC2)C[C@H](C)O1 ZINC001302909398 1067494630 /nfs/dbraw/zinc/49/46/30/1067494630.db2.gz RQIFKBREIAFBFF-SZPZYZBQSA-N 1 0 495.672 3.149 20 30 JGEDRO Cc1cccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001304507674 1067581646 /nfs/dbraw/zinc/58/16/46/1067581646.db2.gz VAJBJXZGVVWKKW-FHAGJXEFSA-N 1 0 470.593 3.495 20 30 JGEDRO CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001303066062 1067601447 /nfs/dbraw/zinc/60/14/47/1067601447.db2.gz TVXZQJLWEWYVEH-NFBKMPQASA-N 1 0 463.630 3.442 20 30 JGEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(-n4cnnn4)cc3)nnc2N(C)[C@@H](C)CC#N)CC1 ZINC001303089416 1067625093 /nfs/dbraw/zinc/62/50/93/1067625093.db2.gz AFTRQRHPITWCAK-FQEVSTJZSA-N 1 0 476.633 3.417 20 30 JGEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001303090084 1067626254 /nfs/dbraw/zinc/62/62/54/1067626254.db2.gz MUMYUBIRZWPCEO-HSZRJFAPSA-N 1 0 463.630 3.277 20 30 JGEDRO Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cs1 ZINC001304648005 1067715794 /nfs/dbraw/zinc/71/57/94/1067715794.db2.gz HNJHYUBBTVSECY-JPYJTQIMSA-N 1 0 479.654 3.235 20 30 JGEDRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCC2CCOCC2)C1 ZINC001303200690 1067736587 /nfs/dbraw/zinc/73/65/87/1067736587.db2.gz DQTQRSRLDYZJLD-XMMPIXPASA-N 1 0 466.630 3.426 20 30 JGEDRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(C)C)C2)C1 ZINC001303204122 1067740207 /nfs/dbraw/zinc/74/02/07/1067740207.db2.gz GBSKSLIZCRTBGL-DHIUTWEWSA-N 1 0 452.603 3.035 20 30 JGEDRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(N(C)Cc3cccc(C#N)c3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001303205025 1067742297 /nfs/dbraw/zinc/74/22/97/1067742297.db2.gz PQLTTYXYCGPFJC-SHQCIBLASA-N 1 0 496.656 3.184 20 30 JGEDRO CC(C)CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001303230156 1067764652 /nfs/dbraw/zinc/76/46/52/1067764652.db2.gz KCFHWHLUTQTCBX-QFIPXVFZSA-N 1 0 470.643 3.029 20 30 JGEDRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001304720273 1067791447 /nfs/dbraw/zinc/79/14/47/1067791447.db2.gz ONOWCIADGWDINL-DEOSSOPVSA-N 1 0 464.643 3.241 20 30 JGEDRO CC(C)[N@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 ZINC001303267580 1067794770 /nfs/dbraw/zinc/79/47/70/1067794770.db2.gz FKQTUSZIRJIPTR-UHFFFAOYSA-N 1 0 461.614 3.296 20 30 JGEDRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC001304743969 1067821676 /nfs/dbraw/zinc/82/16/76/1067821676.db2.gz RTEGRDDWLJZNQN-QFIPXVFZSA-N 1 0 476.629 3.149 20 30 JGEDRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2nccs2)CC1 ZINC001303302027 1067826466 /nfs/dbraw/zinc/82/64/66/1067826466.db2.gz YZPYFQDYFMPHOL-UHFFFAOYSA-N 1 0 451.600 3.145 20 30 JGEDRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001303302018 1067826472 /nfs/dbraw/zinc/82/64/72/1067826472.db2.gz YTPHBCILPAXOPS-QFIPXVFZSA-N 1 0 466.630 3.303 20 30 JGEDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001303305162 1067832984 /nfs/dbraw/zinc/83/29/84/1067832984.db2.gz NRUULZZPRIJPND-RXVVDRJESA-N 1 0 458.994 3.360 20 30 JGEDRO CC(C)[N@@H+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001303310931 1067839605 /nfs/dbraw/zinc/83/96/05/1067839605.db2.gz NKJJQNWJFCUFDE-XIFFEERXSA-N 1 0 472.659 3.196 20 30 JGEDRO CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001303330865 1067860791 /nfs/dbraw/zinc/86/07/91/1067860791.db2.gz GOUSCJBGEQKRON-FQEVSTJZSA-N 1 0 451.600 3.289 20 30 JGEDRO CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001303356265 1067884532 /nfs/dbraw/zinc/88/45/32/1067884532.db2.gz XYBDOMPPHBLELA-NFBKMPQASA-N 1 0 463.630 3.457 20 30 JGEDRO Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CCCn1cc(Br)cn1 ZINC001304846708 1067901735 /nfs/dbraw/zinc/90/17/35/1067901735.db2.gz CAMINEHUVWXPRW-UHFFFAOYSA-N 1 0 483.418 3.220 20 30 JGEDRO 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N#CC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001303002513 1067559695 /nfs/dbraw/zinc/55/96/95/1067559695.db2.gz XYLRBPPIUSIXFE-UHFFFAOYSA-N 1 0 458.994 3.363 20 30 JGEDRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001303179455 1067713274 /nfs/dbraw/zinc/71/32/74/1067713274.db2.gz WEQFDOWVRCTCMO-UGKGYDQZSA-N 1 0 456.566 3.093 20 30 JGEDRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001303179453 1067713288 /nfs/dbraw/zinc/71/32/88/1067713288.db2.gz WEQFDOWVRCTCMO-KNQAVFIVSA-N 1 0 456.566 3.093 20 30 JGEDRO CC(C)COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001303217442 1067755183 /nfs/dbraw/zinc/75/51/83/1067755183.db2.gz HULSEPLUVZXBTO-UHFFFAOYSA-N 1 0 495.628 3.128 20 30 JGEDRO CC(C)N(C)C(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001303255011 1067780382 /nfs/dbraw/zinc/78/03/82/1067780382.db2.gz SHHSTCLGDQIFGC-UHFFFAOYSA-N 1 0 491.640 3.074 20 30 JGEDRO CC(C)[N@H+](C)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cn[nH]c2)CC1 ZINC001303261627 1067788026 /nfs/dbraw/zinc/78/80/26/1067788026.db2.gz PPQPJESZTNNSRV-UHFFFAOYSA-N 1 0 462.602 3.251 20 30 JGEDRO CC(C)[N@H+](C)CC1CCN(c2nnc(CC3CCCC3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001303261682 1067788452 /nfs/dbraw/zinc/78/84/52/1067788452.db2.gz RQHAYYRUVQXGHA-OCOZRVBESA-N 1 0 483.661 3.094 20 30 JGEDRO CC(C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(c2ncccc2F)CC1 ZINC001303271730 1067800508 /nfs/dbraw/zinc/80/05/08/1067800508.db2.gz SSLJHESAXWBAHD-UHFFFAOYSA-N 1 0 462.577 3.408 20 30 JGEDRO Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@@H](c3ccccc3)[NH+](C)C)CC2)c1C#N ZINC001304731581 1067804508 /nfs/dbraw/zinc/80/45/08/1067804508.db2.gz QRDLMKCBEIUUTQ-QHCPKHFHSA-N 1 0 475.645 3.020 20 30 JGEDRO Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CCC[NH+]3CCC(C)CC3)CC2)c1C#N ZINC001304732048 1067804834 /nfs/dbraw/zinc/80/48/34/1067804834.db2.gz WUWKXTHEJVLPPO-UHFFFAOYSA-N 1 0 481.693 3.229 20 30 JGEDRO CC(C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC001303277914 1067805184 /nfs/dbraw/zinc/80/51/84/1067805184.db2.gz XKVAAEXSFWZABW-UHFFFAOYSA-N 1 0 458.614 3.192 20 30 JGEDRO Cc1cc(C)n([C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCOCC[NH+](C)C)C2)n1 ZINC001304735898 1067809781 /nfs/dbraw/zinc/80/97/81/1067809781.db2.gz VQFVEWLVULXXPU-QHCPKHFHSA-N 1 0 462.602 3.050 20 30 JGEDRO CC(C)[NH+](CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1)C(C)C ZINC001303291016 1067814692 /nfs/dbraw/zinc/81/46/92/1067814692.db2.gz IOIAEBAMLVVTPR-QHCPKHFHSA-N 1 0 478.645 3.366 20 30 JGEDRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2CCC[N@@H+]2CCCO[C@H](C)C2)n1 ZINC001304743968 1067821703 /nfs/dbraw/zinc/82/17/03/1067821703.db2.gz RTEGRDDWLJZNQN-JOCHJYFZSA-N 1 0 476.629 3.149 20 30 JGEDRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCc2cnccn2)C1 ZINC001303303881 1067829784 /nfs/dbraw/zinc/82/97/84/1067829784.db2.gz AOLWNTXZVIGUIG-JOCHJYFZSA-N 1 0 474.613 3.318 20 30 JGEDRO CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCC(C)(F)F)C2)CC1 ZINC001303316806 1067844473 /nfs/dbraw/zinc/84/44/73/1067844473.db2.gz JQSIHZLQCHXMPQ-NRFANRHFSA-N 1 0 457.573 3.467 20 30 JGEDRO Cc1nnc([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC[NH+](C(C)C)C(C)C)CCO2)o1 ZINC001304773415 1067866391 /nfs/dbraw/zinc/86/63/91/1067866391.db2.gz ABPVGEDHOXISJJ-OAQYLSRUSA-N 1 0 464.574 3.205 20 30 JGEDRO CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001303356266 1067884401 /nfs/dbraw/zinc/88/44/01/1067884401.db2.gz XYBDOMPPHBLELA-NZQKXSOJSA-N 1 0 463.630 3.457 20 30 JGEDRO Cc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CCCOCC1CCOCC1 ZINC001304847942 1067902527 /nfs/dbraw/zinc/90/25/27/1067902527.db2.gz UCGPLCBRSLFEND-UHFFFAOYSA-N 1 0 452.603 3.004 20 30 JGEDRO CC(C)NC(=O)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CC1(C(C)C)CC1 ZINC001303396751 1067924889 /nfs/dbraw/zinc/92/48/89/1067924889.db2.gz RTPJIDXNHMUWTD-UHFFFAOYSA-N 1 0 463.630 3.436 20 30 JGEDRO CC(C)O[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CCOC1 ZINC001303481942 1068003867 /nfs/dbraw/zinc/00/38/67/1068003867.db2.gz OYRAIISJPDZOEF-LOSJGSFVSA-N 1 0 484.670 3.264 20 30 JGEDRO CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304981784 1068022249 /nfs/dbraw/zinc/02/22/49/1068022249.db2.gz BEYZIQLGRHKJGD-KBMIEXCESA-N 1 0 451.619 3.288 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304984519 1068027725 /nfs/dbraw/zinc/02/77/25/1068027725.db2.gz HSCWJGVWQGBYGY-MVYHEMRASA-N 1 0 476.629 3.441 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304984520 1068027737 /nfs/dbraw/zinc/02/77/37/1068027737.db2.gz HSCWJGVWQGBYGY-UDCNLSRBSA-N 1 0 476.629 3.441 20 30 JGEDRO CC(C)OC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC001303539151 1068068237 /nfs/dbraw/zinc/06/82/37/1068068237.db2.gz NQWBTJRJEDJVJF-ILBGXUMGSA-N 1 0 496.656 3.479 20 30 JGEDRO C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001305029259 1068087854 /nfs/dbraw/zinc/08/78/54/1068087854.db2.gz PPDHNCMIDMSGMY-NCYKPQTJSA-N 1 0 487.649 3.199 20 30 JGEDRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001305050485 1068112650 /nfs/dbraw/zinc/11/26/50/1068112650.db2.gz VQEVMXJXZCMWQZ-JTHBVZDNSA-N 1 0 493.656 3.202 20 30 JGEDRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001305050482 1068112663 /nfs/dbraw/zinc/11/26/63/1068112663.db2.gz VQEVMXJXZCMWQZ-FYYLOGMGSA-N 1 0 493.656 3.202 20 30 JGEDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001305058940 1068122451 /nfs/dbraw/zinc/12/24/51/1068122451.db2.gz JPAYAIJZIPXOAG-LJQANCHMSA-N 1 0 465.602 3.358 20 30 JGEDRO C[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC001305060916 1068125644 /nfs/dbraw/zinc/12/56/44/1068125644.db2.gz BRPJPTJJZNBHJE-DXIQSLLYSA-N 1 0 456.566 3.406 20 30 JGEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC001305065350 1068136921 /nfs/dbraw/zinc/13/69/21/1068136921.db2.gz YLPRQPQJRBWKHV-JOCHJYFZSA-N 1 0 479.673 3.484 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303627688 1068157745 /nfs/dbraw/zinc/15/77/45/1068157745.db2.gz MZEVGYLJRWQAST-GOSISDBHSA-N 1 0 458.632 3.209 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001303636171 1068164459 /nfs/dbraw/zinc/16/44/59/1068164459.db2.gz LQPNGFWTRYATJO-HNAYVOBHSA-N 1 0 453.522 3.186 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001303636173 1068164465 /nfs/dbraw/zinc/16/44/65/1068164465.db2.gz LQPNGFWTRYATJO-KXBFYZLASA-N 1 0 453.522 3.186 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[N@H+](C)C1CCCCC1 ZINC001303635954 1068164486 /nfs/dbraw/zinc/16/44/86/1068164486.db2.gz KAYDALKDTMDUGS-SFHVURJKSA-N 1 0 472.663 3.241 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1OCCC1(C)C ZINC001303637659 1068165936 /nfs/dbraw/zinc/16/59/36/1068165936.db2.gz YHGGZSKTDBIUIY-GMAHTHKFSA-N 1 0 465.646 3.196 20 30 JGEDRO CC1CC[NH+](CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001305107066 1068175182 /nfs/dbraw/zinc/17/51/82/1068175182.db2.gz XMPGZLWAWZOWBK-UHFFFAOYSA-N 1 0 451.619 3.290 20 30 JGEDRO CC1CC[NH+](CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001305107298 1068176237 /nfs/dbraw/zinc/17/62/37/1068176237.db2.gz KGQZZRUPYUGUQU-UHFFFAOYSA-N 1 0 463.630 3.243 20 30 JGEDRO CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001305108420 1068178065 /nfs/dbraw/zinc/17/80/65/1068178065.db2.gz SRBNBABSDQKATM-QHCPKHFHSA-N 1 0 452.603 3.179 20 30 JGEDRO CC1CC[NH+](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001305110600 1068181751 /nfs/dbraw/zinc/18/17/51/1068181751.db2.gz LTMBWFIQYXUSAZ-UHFFFAOYSA-N 1 0 492.546 3.354 20 30 JGEDRO C[C@@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)(C#N)CC1)[NH+]1CCCCC1 ZINC001303662005 1068192893 /nfs/dbraw/zinc/19/28/93/1068192893.db2.gz BYMXUMMOTOSVIL-IBGZPJMESA-N 1 0 450.591 3.320 20 30 JGEDRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCn2cccn2)C[C@H](C)O1 ZINC001305115148 1068194083 /nfs/dbraw/zinc/19/40/83/1068194083.db2.gz XDWHXLKRKOZBOL-BGYRXZFFSA-N 1 0 462.602 3.037 20 30 JGEDRO C[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)[NH+]1CCCCC1 ZINC001303665159 1068198237 /nfs/dbraw/zinc/19/82/37/1068198237.db2.gz SHYMDULADIVSQX-AABGKKOBSA-N 1 0 472.659 3.339 20 30 JGEDRO C[C@@H](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1)[NH+]1CCCCC1 ZINC001303666255 1068200130 /nfs/dbraw/zinc/20/01/30/1068200130.db2.gz JLCGBKOMESMDKP-FQEVSTJZSA-N 1 0 452.603 3.202 20 30 JGEDRO C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001305123781 1068208665 /nfs/dbraw/zinc/20/86/65/1068208665.db2.gz ZEVIAHQYVMJWFW-MJGOQNOKSA-N 1 0 479.658 3.317 20 30 JGEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1)[NH+](C)C ZINC001303699540 1068242031 /nfs/dbraw/zinc/24/20/31/1068242031.db2.gz IPEODCNGJYWHKT-AWEZNQCLSA-N 1 0 456.476 3.138 20 30 JGEDRO C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)[NH+](C)C ZINC001303706196 1068250743 /nfs/dbraw/zinc/25/07/43/1068250743.db2.gz VRTGLMRYTIIPLD-KRWDZBQOSA-N 1 0 450.978 3.142 20 30 JGEDRO CC(C)n1nc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001303709581 1068255621 /nfs/dbraw/zinc/25/56/21/1068255621.db2.gz WIJBOPFWPUUYFS-GOSISDBHSA-N 1 0 462.602 3.316 20 30 JGEDRO C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H](C(F)(F)F)O1 ZINC001305150380 1068255791 /nfs/dbraw/zinc/25/57/91/1068255791.db2.gz KGDJIEWUWRTTQS-FPDPHYFHSA-N 1 0 480.560 3.410 20 30 JGEDRO C[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)[NH+](C)C ZINC001303737933 1068296448 /nfs/dbraw/zinc/29/64/48/1068296448.db2.gz RLFIODRYKDUGRR-QAPCUYQASA-N 1 0 478.428 3.291 20 30 JGEDRO C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001303738347 1068297705 /nfs/dbraw/zinc/29/77/05/1068297705.db2.gz SSXZLLRSYBZDFD-FPOVZHCZSA-N 1 0 497.644 3.420 20 30 JGEDRO C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N)C[NH+]1CCCCC1 ZINC001303751750 1068312310 /nfs/dbraw/zinc/31/23/10/1068312310.db2.gz LJMFWTRWWXXVSG-WOJBJXKFSA-N 1 0 487.674 3.056 20 30 JGEDRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C[NH+]1CCCCC1 ZINC001303754188 1068316825 /nfs/dbraw/zinc/31/68/25/1068316825.db2.gz QLVRJWMPZREUNK-RTWAWAEBSA-N 1 0 479.677 3.365 20 30 JGEDRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C[NH+]1CCCCC1 ZINC001303754187 1068316891 /nfs/dbraw/zinc/31/68/91/1068316891.db2.gz QLVRJWMPZREUNK-NHCUHLMSSA-N 1 0 479.677 3.365 20 30 JGEDRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C[NH+]1CCCCC1 ZINC001303754189 1068316927 /nfs/dbraw/zinc/31/69/27/1068316927.db2.gz QLVRJWMPZREUNK-SFTDATJTSA-N 1 0 479.677 3.365 20 30 JGEDRO C[C@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC001303765591 1068336982 /nfs/dbraw/zinc/33/69/82/1068336982.db2.gz ZWGNOHRNABRNQG-IBGZPJMESA-N 1 0 450.612 3.407 20 30 JGEDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(COc2ccc(C#N)cc2)n1CCCNC(=O)OC(C)(C)C ZINC001305219872 1068356875 /nfs/dbraw/zinc/35/68/75/1068356875.db2.gz CTTSJXUBNGMKIS-PZJWPPBQSA-N 1 0 495.628 3.316 20 30 JGEDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CC(F)(F)Br ZINC001305222787 1068364229 /nfs/dbraw/zinc/36/42/29/1068364229.db2.gz MUKSIFVUIAXAOM-XJKSGUPXSA-N 1 0 451.319 3.477 20 30 JGEDRO CC(F)(F)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001303786400 1068366577 /nfs/dbraw/zinc/36/65/77/1068366577.db2.gz CBBPAQIBEFENGQ-HSZRJFAPSA-N 1 0 461.536 3.130 20 30 JGEDRO C[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001305229263 1068374108 /nfs/dbraw/zinc/37/41/08/1068374108.db2.gz QQLDXEFUKURHOF-CTNGQTDRSA-N 1 0 452.603 3.322 20 30 JGEDRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001305264101 1068440474 /nfs/dbraw/zinc/44/04/74/1068440474.db2.gz KDPNFBRIQRFWGD-QFIPXVFZSA-N 1 0 463.630 3.434 20 30 JGEDRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001303896572 1068535790 /nfs/dbraw/zinc/53/57/90/1068535790.db2.gz DHAIAEQGFCWKDF-WXVUKLJWSA-N 1 0 474.556 3.236 20 30 JGEDRO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001305319835 1068536688 /nfs/dbraw/zinc/53/66/88/1068536688.db2.gz AQPYIZUNNPSSSO-IBVKSMDESA-N 1 0 466.630 3.162 20 30 JGEDRO CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001305324722 1068545188 /nfs/dbraw/zinc/54/51/88/1068545188.db2.gz SXFAKTFLXJCWGG-JIPXPUAJSA-N 1 0 490.656 3.411 20 30 JGEDRO CC1(C#N)CCN(c2nnc(CCc3ccccc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001303944414 1068605351 /nfs/dbraw/zinc/60/53/51/1068605351.db2.gz QZQVMUISPHTAKA-HSZRJFAPSA-N 1 0 450.631 3.430 20 30 JGEDRO CC[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001305380149 1068632314 /nfs/dbraw/zinc/63/23/14/1068632314.db2.gz JMFPANOIVBZYEQ-DENIHFKCSA-N 1 0 451.619 3.242 20 30 JGEDRO CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001305531215 1068787385 /nfs/dbraw/zinc/78/73/85/1068787385.db2.gz HOMNSRBBMJKJAH-AVCGJXAMSA-N 1 0 451.619 3.280 20 30 JGEDRO CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001305531216 1068787428 /nfs/dbraw/zinc/78/74/28/1068787428.db2.gz HOMNSRBBMJKJAH-HARLFGEKSA-N 1 0 451.619 3.280 20 30 JGEDRO CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccccc1OCC[NH+](C)C ZINC001305531756 1068788464 /nfs/dbraw/zinc/78/84/64/1068788464.db2.gz GYGFQGASOFKWEG-NRFANRHFSA-N 1 0 488.640 3.374 20 30 JGEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001305608449 1068879692 /nfs/dbraw/zinc/87/96/92/1068879692.db2.gz UIJOGUMWYXFNBV-HXUWFJFHSA-N 1 0 469.597 3.140 20 30 JGEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001305614238 1068891379 /nfs/dbraw/zinc/89/13/79/1068891379.db2.gz NBZLNCCLQMVLDU-CJAUYULYSA-N 1 0 462.602 3.052 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 ZINC001305616062 1068895101 /nfs/dbraw/zinc/89/51/01/1068895101.db2.gz DUOVNRPSUFKGAG-ICSRJNTNSA-N 1 0 475.638 3.057 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001305617852 1068900377 /nfs/dbraw/zinc/90/03/77/1068900377.db2.gz CZDPLZSZDHPIKA-NRFANRHFSA-N 1 0 499.623 3.052 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001305623606 1068915100 /nfs/dbraw/zinc/91/51/00/1068915100.db2.gz MQJXPBUZRUNXFQ-PGRDOPGGSA-N 1 0 455.582 3.197 20 30 JGEDRO CCC(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001305703033 1069085448 /nfs/dbraw/zinc/08/54/48/1069085448.db2.gz FJUUOUKXKLAXDS-RPWUZVMVSA-N 1 0 494.640 3.343 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1)[NH+](C)C ZINC001305703662 1069087866 /nfs/dbraw/zinc/08/78/66/1069087866.db2.gz IOMNSYHNBZPAEB-XZOQPEGZSA-N 1 0 451.619 3.288 20 30 JGEDRO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC001305705471 1069093331 /nfs/dbraw/zinc/09/33/31/1069093331.db2.gz JKYDQEZXYKAXMX-DEOSSOPVSA-N 1 0 474.613 3.380 20 30 JGEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCOC1)[NH+]1CCOCC1 ZINC001305710914 1069108964 /nfs/dbraw/zinc/10/89/64/1069108964.db2.gz XSPMYBHJHDKDIO-PKTZIBPZSA-N 1 0 452.603 3.179 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(C)=O)C1)[NH+](C)C ZINC001305710916 1069109495 /nfs/dbraw/zinc/10/94/95/1069109495.db2.gz XUBOPZLVCBCUPA-DHIUTWEWSA-N 1 0 451.619 3.288 20 30 JGEDRO CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001305755789 1069208435 /nfs/dbraw/zinc/20/84/35/1069208435.db2.gz NRXAFKPZMVIQFB-QFQXNSOFSA-N 1 0 497.619 3.484 20 30 JGEDRO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001305782194 1069274404 /nfs/dbraw/zinc/27/44/04/1069274404.db2.gz NRAWGQLJEPFAOJ-SFHVURJKSA-N 1 0 496.635 3.017 20 30 JGEDRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001305783244 1069276851 /nfs/dbraw/zinc/27/68/51/1069276851.db2.gz JSYRWWUJBLTCPL-SFHVURJKSA-N 1 0 496.635 3.017 20 30 JGEDRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)C2 ZINC001164432662 718968440 /nfs/dbraw/zinc/96/84/40/718968440.db2.gz IFUWUCLJZXOOIW-HUUCEWRRSA-N 1 0 473.229 3.326 20 30 JGEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cc1 ZINC001164747676 720813438 /nfs/dbraw/zinc/81/34/38/720813438.db2.gz OXHCOTVXGDYVGB-QJXQVQFTSA-N 1 0 468.609 3.411 20 30 JGEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)cc1 ZINC001164747672 720813480 /nfs/dbraw/zinc/81/34/80/720813480.db2.gz OXHCOTVXGDYVGB-DDRRAVBJSA-N 1 0 468.609 3.411 20 30 JGEDRO COc1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C#N)c(Cl)n1 ZINC001164743126 720836319 /nfs/dbraw/zinc/83/63/19/720836319.db2.gz ITTIZIIPBJIWFC-FRQCXROJSA-N 1 0 477.947 3.131 20 30 JGEDRO N#C[C@H](c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1)c1ccccc1F ZINC001164751882 720836615 /nfs/dbraw/zinc/83/66/15/720836615.db2.gz ZLCDDEZONNUWLN-QIRSKFFZSA-N 1 0 472.572 3.242 20 30 JGEDRO COc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(F)cc1C#N ZINC001164749921 720906804 /nfs/dbraw/zinc/90/68/04/720906804.db2.gz ILRKHGYVMHJOQO-OFVILXPXSA-N 1 0 451.546 3.251 20 30 JGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(F)c(C#N)cc4-c4ccnc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164766383 721140288 /nfs/dbraw/zinc/14/02/88/721140288.db2.gz KXRNGJHAACOPHN-WMZOPIPTSA-N 1 0 451.937 3.500 20 30 JGEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(SC)nc(Cl)c1C#N)CC2 ZINC001164785019 721448337 /nfs/dbraw/zinc/44/83/37/721448337.db2.gz GDCQLHOLJNUUBH-KRWDZBQOSA-N 1 0 466.051 3.457 20 30 JGEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(SC)nc(Cl)c1C=NO)CC2 ZINC001164790581 721455304 /nfs/dbraw/zinc/45/53/04/721455304.db2.gz ZUCRVRYZAQLBON-KRWDZBQOSA-N 1 0 484.066 3.394 20 30 JGEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C3(C#N)CCOCC3)cn1)CC2 ZINC001164788800 721465135 /nfs/dbraw/zinc/46/51/35/721465135.db2.gz LCWFKIAVJJFPRL-XMMPIXPASA-N 1 0 468.642 3.387 20 30 JGEDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2c(C#N)c(Cl)nc4cccc(Cl)c42)CC3)CC1 ZINC001164795183 721523257 /nfs/dbraw/zinc/52/32/57/721523257.db2.gz LGMLVAIONKWNBG-UHFFFAOYSA-N 1 0 456.381 3.377 20 30 JGEDRO CC(=O)Nc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001165034352 721895610 /nfs/dbraw/zinc/89/56/10/721895610.db2.gz DGWHHXLRWIJPHS-AUSIDOKSSA-N 1 0 492.605 3.157 20 30 JGEDRO N#C[C@H](c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1)c1ccccc1F ZINC001164973398 722127803 /nfs/dbraw/zinc/12/78/03/722127803.db2.gz HDUIEDFQPCMGLI-UWDQQESISA-N 1 0 458.541 3.393 20 30 JGEDRO CC[C@H](Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCO[C@H](C#N)C1)[NH+]1CCCC1 ZINC001305820980 1069356972 /nfs/dbraw/zinc/35/69/72/1069356972.db2.gz HLKXGHLGRQTDDY-QZTJIDSGSA-N 1 0 489.418 3.319 20 30 JGEDRO CC[C@@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC001305883700 1069437997 /nfs/dbraw/zinc/43/79/97/1069437997.db2.gz XQXIAQGCTIJTLS-DHLKQENFSA-N 1 0 452.603 3.179 20 30 JGEDRO CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001298327125 1064202384 /nfs/dbraw/zinc/20/23/84/1064202384.db2.gz KXDRSWZAJWTAMG-JOCHJYFZSA-N 1 0 484.670 3.343 20 30 JGEDRO C[N@H+](CCCNC(=O)OC(C)(C)C)CCCn1c(C2CCC2)nnc1N1CC[C@](F)(C#N)C1 ZINC001298684686 1064481025 /nfs/dbraw/zinc/48/10/25/1064481025.db2.gz VXZGLSUIBCDTPV-QHCPKHFHSA-N 1 0 463.602 3.224 20 30 JGEDRO C[N@@H+]1CCN(CCn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1(C)C ZINC001298897116 1064703901 /nfs/dbraw/zinc/70/39/01/1064703901.db2.gz LKAQORUMAKPLQT-VWLOTQADSA-N 1 0 453.610 3.164 20 30 JGEDRO CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001299015523 1064798980 /nfs/dbraw/zinc/79/89/80/1064798980.db2.gz ISPDORQMKADEPD-WGURPXDASA-N 1 0 463.630 3.290 20 30 JGEDRO CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001299072117 1064872497 /nfs/dbraw/zinc/87/24/97/1064872497.db2.gz AOCIVSHTBJKRBO-PMACEKPBSA-N 1 0 463.611 3.144 20 30 JGEDRO CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC[NH+]2CCC(C)CC2)C1 ZINC001299074914 1064878954 /nfs/dbraw/zinc/87/89/54/1064878954.db2.gz QZURDLFQTKIBDY-HSZRJFAPSA-N 1 0 463.630 3.291 20 30 JGEDRO CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CCOC1 ZINC001299799556 1064997765 /nfs/dbraw/zinc/99/77/65/1064997765.db2.gz APHYBZHTIGLMEI-VWLOTQADSA-N 1 0 452.603 3.179 20 30 JGEDRO COc1cc(OC)cc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2ccc(C#N)o2)c1 ZINC001299941768 1065211546 /nfs/dbraw/zinc/21/15/46/1065211546.db2.gz KWOZXAAJMKZSTI-UHFFFAOYSA-N 1 0 450.543 3.442 20 30 JGEDRO 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C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001300820337 1065548398 /nfs/dbraw/zinc/54/83/98/1065548398.db2.gz CIBVURJCKIFRTA-LJQANCHMSA-N 1 0 473.419 3.133 20 30 JGEDRO C=C(Br)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001300832495 1065565818 /nfs/dbraw/zinc/56/58/18/1065565818.db2.gz NAIDYIZADOPKCJ-UHFFFAOYSA-N 1 0 459.392 3.272 20 30 JGEDRO C=C(Br)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001300834262 1065568454 /nfs/dbraw/zinc/56/84/54/1065568454.db2.gz NFCJJYGSGGRQNH-KRWDZBQOSA-N 1 0 492.418 3.029 20 30 JGEDRO C=C(Br)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001300834715 1065570195 /nfs/dbraw/zinc/57/01/95/1065570195.db2.gz VPTZNSAGPDQNND-IBGZPJMESA-N 1 0 475.435 3.079 20 30 JGEDRO C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001300839576 1065575870 /nfs/dbraw/zinc/57/58/70/1065575870.db2.gz LSRNTLHEXJHMMT-UHFFFAOYSA-N 1 0 490.450 3.000 20 30 JGEDRO C=C(Br)Cn1c(C2CCC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 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CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCCC[NH+]1CCCC1 ZINC001302087362 1066512469 /nfs/dbraw/zinc/51/24/69/1066512469.db2.gz GHSBGBRPNJMGMB-UHFFFAOYSA-N 1 0 450.635 3.435 20 30 JGEDRO COCCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001301661511 1066533019 /nfs/dbraw/zinc/53/30/19/1066533019.db2.gz SFRZKDLHNZIGLQ-UHFFFAOYSA-N 1 0 493.656 3.062 20 30 JGEDRO COCCO[C@H](C)c1nnc(N2C[C@@H](c3ccccc3)[C@H](C#N)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001302118146 1066558326 /nfs/dbraw/zinc/55/83/26/1066558326.db2.gz QEZASWCREXAIQA-NCAYHCJHSA-N 1 0 484.670 3.183 20 30 JGEDRO COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001302150528 1066601630 /nfs/dbraw/zinc/60/16/30/1066601630.db2.gz GKPDTSZXTWOUGW-DEOSSOPVSA-N 1 0 496.656 3.338 20 30 JGEDRO COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001302172274 1066642951 /nfs/dbraw/zinc/64/29/51/1066642951.db2.gz DDCNNPKUZDHXGJ-NZQKXSOJSA-N 1 0 452.603 3.323 20 30 JGEDRO COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001302174222 1066646229 /nfs/dbraw/zinc/64/62/29/1066646229.db2.gz NSCJSKRDERFWMW-GOTSBHOMSA-N 1 0 452.603 3.179 20 30 JGEDRO COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001302174227 1066646333 /nfs/dbraw/zinc/64/63/33/1066646333.db2.gz NSCJSKRDERFWMW-XZOQPEGZSA-N 1 0 452.603 3.179 20 30 JGEDRO COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001302195731 1066685170 /nfs/dbraw/zinc/68/51/70/1066685170.db2.gz HMTALUKKXWFDCQ-XZOQPEGZSA-N 1 0 466.630 3.426 20 30 JGEDRO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC001301757959 1066692842 /nfs/dbraw/zinc/69/28/42/1066692842.db2.gz DSVCUYFEOAIPPV-FQEVSTJZSA-N 1 0 479.629 3.050 20 30 JGEDRO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)[NH+](C)C)CC12CCCCC2 ZINC001301760419 1066697882 /nfs/dbraw/zinc/69/78/82/1066697882.db2.gz STJFPZWSOXZMEC-FQEVSTJZSA-N 1 0 479.629 3.050 20 30 JGEDRO COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001302212374 1066714105 /nfs/dbraw/zinc/71/41/05/1066714105.db2.gz RGJVCHLZFWKJHM-UHFFFAOYSA-N 1 0 452.603 3.325 20 30 JGEDRO COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001301773808 1066718672 /nfs/dbraw/zinc/71/86/72/1066718672.db2.gz LIOSUCPBUDCVAJ-UHFFFAOYSA-N 1 0 474.613 3.382 20 30 JGEDRO COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001301774414 1066719986 /nfs/dbraw/zinc/71/99/86/1066719986.db2.gz VGLUUCXKHIUTAM-PQNGQFLHSA-N 1 0 496.656 3.194 20 30 JGEDRO COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001302219827 1066722993 /nfs/dbraw/zinc/72/29/93/1066722993.db2.gz HEYDDAWJWJXEJX-HSZRJFAPSA-N 1 0 466.630 3.428 20 30 JGEDRO COCCN(CCC#N)c1nnc(-c2ccc(C)c(Br)c2)n1CC[NH+]1CCCC1 ZINC001301804135 1066755668 /nfs/dbraw/zinc/75/56/68/1066755668.db2.gz WLAULIAKEPUIHN-UHFFFAOYSA-N 1 0 461.408 3.478 20 30 JGEDRO COCCN(CCC#N)c1nnc(-c2cccc(Cl)c2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001301804025 1066755700 /nfs/dbraw/zinc/75/57/00/1066755700.db2.gz WAFNZBVUODQSGJ-UHFFFAOYSA-N 1 0 461.010 3.200 20 30 JGEDRO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCC2)C1 ZINC001302243033 1066770765 /nfs/dbraw/zinc/77/07/65/1066770765.db2.gz OWFUVWDTARKDRP-OAQYLSRUSA-N 1 0 465.602 3.406 20 30 JGEDRO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001301817973 1066776887 /nfs/dbraw/zinc/77/68/87/1066776887.db2.gz IMLNENKGCGAREY-BJKOFHAPSA-N 1 0 463.630 3.432 20 30 JGEDRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001302250697 1066785512 /nfs/dbraw/zinc/78/55/12/1066785512.db2.gz QFPFTZCJAQTMRL-OIBXWCBGSA-N 1 0 452.603 3.242 20 30 JGEDRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001301854382 1066833236 /nfs/dbraw/zinc/83/32/36/1066833236.db2.gz WAQGGDLQPSHQLG-REWPJTCUSA-N 1 0 463.630 3.290 20 30 JGEDRO CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001301873318 1066871591 /nfs/dbraw/zinc/87/15/91/1066871591.db2.gz SYASSTZWSYOLDO-ILBGXUMGSA-N 1 0 493.656 3.202 20 30 JGEDRO CC(C)(C)O[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001302297419 1066880600 /nfs/dbraw/zinc/88/06/00/1066880600.db2.gz CVDLGARTXYYZNA-HSZRJFAPSA-N 1 0 466.630 3.447 20 30 JGEDRO CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001301878909 1066883377 /nfs/dbraw/zinc/88/33/77/1066883377.db2.gz HJLQFMWATGGTQL-FQEVSTJZSA-N 1 0 463.630 3.434 20 30 JGEDRO COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001301887108 1066899619 /nfs/dbraw/zinc/89/96/19/1066899619.db2.gz GEYLJCYZBBYYMV-UHFFFAOYSA-N 1 0 465.646 3.240 20 30 JGEDRO COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001301889155 1066905988 /nfs/dbraw/zinc/90/59/88/1066905988.db2.gz VFRGJNDXDYZKNB-UHFFFAOYSA-N 1 0 465.646 3.097 20 30 JGEDRO CC(C)(C)[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001302326140 1066926771 /nfs/dbraw/zinc/92/67/71/1066926771.db2.gz JLRDCYAYLILICI-ZCWHBTPQSA-N 1 0 484.670 3.341 20 30 JGEDRO CC(C)(C)[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001302326137 1066926838 /nfs/dbraw/zinc/92/68/38/1066926838.db2.gz JLRDCYAYLILICI-IFXFPORBSA-N 1 0 484.670 3.341 20 30 JGEDRO CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001301916319 1066946296 /nfs/dbraw/zinc/94/62/96/1066946296.db2.gz JCKMEHQRYYKEPM-QHCPKHFHSA-N 1 0 463.630 3.291 20 30 JGEDRO COCC[N@@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(OC)CCCCC2)C[C@@H]1C ZINC001301927956 1066964527 /nfs/dbraw/zinc/96/45/27/1066964527.db2.gz QCPKMHAYIFJUQL-NRFANRHFSA-N 1 0 482.629 3.235 20 30 JGEDRO CC(C)C(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001302431263 1067018610 /nfs/dbraw/zinc/01/86/10/1067018610.db2.gz MDBPNBICIBMRJK-UHFFFAOYSA-N 1 0 493.656 3.346 20 30 JGEDRO CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC[N@@H+]2CCC[C@H]2CO)CCS1 ZINC001303978281 1067025651 /nfs/dbraw/zinc/02/56/51/1067025651.db2.gz KVQINLMHBGDUMN-NRFANRHFSA-N 1 0 484.670 3.297 20 30 JGEDRO CS(=O)(=O)CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001302448716 1067047903 /nfs/dbraw/zinc/04/79/03/1067047903.db2.gz YPTLYCVKJZKECL-JOCHJYFZSA-N 1 0 484.670 3.344 20 30 JGEDRO CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001302485309 1067084639 /nfs/dbraw/zinc/08/46/39/1067084639.db2.gz LPCRWIFTDZSQNT-AREMUKBSSA-N 1 0 466.630 3.305 20 30 JGEDRO Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001304059824 1067103503 /nfs/dbraw/zinc/10/35/03/1067103503.db2.gz ZEICEXNLFPZDRZ-QZTJIDSGSA-N 1 0 472.663 3.017 20 30 JGEDRO CC(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1)[NH+]1CCCC1 ZINC001302527257 1067153481 /nfs/dbraw/zinc/15/34/81/1067153481.db2.gz BIMXLLLKIVNWAG-URXFXBBRSA-N 1 0 451.550 3.291 20 30 JGEDRO Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cnn1C ZINC001304122868 1067162981 /nfs/dbraw/zinc/16/29/81/1067162981.db2.gz QKKBNLTUFDAKBP-UHFFFAOYSA-N 1 0 462.602 3.130 20 30 JGEDRO CS[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001302548465 1067184669 /nfs/dbraw/zinc/18/46/69/1067184669.db2.gz PFJYBJQSJXIMDW-DENIHFKCSA-N 1 0 453.660 3.173 20 30 JGEDRO Cc1cc(C)cc(OCc2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@H](C)[NH+](C)C)c1 ZINC001304181296 1067229763 /nfs/dbraw/zinc/22/97/63/1067229763.db2.gz BIPJNDDNFKQNJZ-NRFANRHFSA-N 1 0 474.613 3.017 20 30 JGEDRO Cc1cc(C)cc(OCc2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001304181297 1067229821 /nfs/dbraw/zinc/22/98/21/1067229821.db2.gz BIPJNDDNFKQNJZ-OAQYLSRUSA-N 1 0 474.613 3.017 20 30 JGEDRO CSC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC[NH+](C)CC1 ZINC001302599872 1067236688 /nfs/dbraw/zinc/23/66/88/1067236688.db2.gz ZXSMCUAZSPMMHP-UHFFFAOYSA-N 1 0 495.697 3.339 20 30 JGEDRO Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC001304212041 1067256096 /nfs/dbraw/zinc/25/60/96/1067256096.db2.gz XMBGFTOHEYSEQB-UHFFFAOYSA-N 1 0 477.638 3.419 20 30 JGEDRO Cc1ccc([C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)[NH+](C)C)cc1 ZINC001304273736 1067310052 /nfs/dbraw/zinc/31/00/52/1067310052.db2.gz JMHGWZGZHNNYDI-ICSRJNTNSA-N 1 0 484.402 3.376 20 30 JGEDRO Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)[NH+]2CCCCC2)c1 ZINC001304291133 1067338915 /nfs/dbraw/zinc/33/89/15/1067338915.db2.gz KLTZRZAKMWADOR-OAQYLSRUSA-N 1 0 452.603 3.467 20 30 JGEDRO Cc1ccc(C)c(OCc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(C)(C)C[NH+](C)C)c1 ZINC001304291957 1067340399 /nfs/dbraw/zinc/34/03/99/1067340399.db2.gz QALXXCDUONBZEA-QFIPXVFZSA-N 1 0 465.646 3.238 20 30 JGEDRO CSCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001302757749 1067361532 /nfs/dbraw/zinc/36/15/32/1067361532.db2.gz JPUGFQBZRLBUGW-XMMPIXPASA-N 1 0 497.713 3.191 20 30 JGEDRO CC(C)C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)[NH+](C)C ZINC001302807968 1067395727 /nfs/dbraw/zinc/39/57/27/1067395727.db2.gz LCXJPXIIUBDIEJ-FCHUYYIVSA-N 1 0 466.590 3.006 20 30 JGEDRO CC(C)C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1)[NH+](C)C ZINC001302809125 1067397730 /nfs/dbraw/zinc/39/77/30/1067397730.db2.gz UOLZNOXYTVUXFC-ZLNRFVROSA-N 1 0 452.603 3.177 20 30 JGEDRO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)CC#N)n2CC2CC[NH+](CCN(C)C)CC2)cc1C ZINC001304376570 1067418089 /nfs/dbraw/zinc/41/80/89/1067418089.db2.gz ABLRBRMFJNWFMP-NRFANRHFSA-N 1 0 480.661 3.159 20 30 JGEDRO Cc1ccc(NC(=O)c2nnc(N3CCC(C#N)CC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC001304376794 1067418969 /nfs/dbraw/zinc/41/89/69/1067418969.db2.gz BCKBBYZDGOLXKB-SFTDATJTSA-N 1 0 479.629 3.387 20 30 JGEDRO Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](c2cccs2)[NH+](C)C)cc1 ZINC001304424200 1067501199 /nfs/dbraw/zinc/50/11/99/1067501199.db2.gz DEEZAUOEBWOXRJ-WOJBJXKFSA-N 1 0 452.584 3.259 20 30 JGEDRO CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001302954735 1067526886 /nfs/dbraw/zinc/52/68/86/1067526886.db2.gz RJDIMVFTYZKHGQ-FCHUYYIVSA-N 1 0 479.677 3.365 20 30 JGEDRO N#Cc1cccc(-c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CC[NH+]2CCSCC2)c1 ZINC001302986579 1067548950 /nfs/dbraw/zinc/54/89/50/1067548950.db2.gz GNLAQXPBGWQKGJ-IBGZPJMESA-N 1 0 480.560 3.413 20 30 JGEDRO N#Cc1ccc(OCc2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CC[NH+]2CCCCCC2)cc1 ZINC001302994019 1067554927 /nfs/dbraw/zinc/55/49/27/1067554927.db2.gz IEZUAHXRDZWHFT-UHFFFAOYSA-N 1 0 492.546 3.498 20 30 JGEDRO N#Cc1ccc(OCc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CC[NH+]2CCCC2)cc1 ZINC001302994552 1067555276 /nfs/dbraw/zinc/55/52/76/1067555276.db2.gz PJTFNJDJUAKFAL-UHFFFAOYSA-N 1 0 476.503 3.172 20 30 JGEDRO CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001303066063 1067601554 /nfs/dbraw/zinc/60/15/54/1067601554.db2.gz TVXZQJLWEWYVEH-NZQKXSOJSA-N 1 0 463.630 3.442 20 30 JGEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001303090569 1067627113 /nfs/dbraw/zinc/62/71/13/1067627113.db2.gz XRGLMKJPSMZXQQ-JOCHJYFZSA-N 1 0 467.574 3.340 20 30 JGEDRO CC(C)COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001303212520 1067749994 /nfs/dbraw/zinc/74/99/94/1067749994.db2.gz FDMXGDYSQDZHBL-UHFFFAOYSA-N 1 0 467.618 3.319 20 30 JGEDRO Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCC[N@H+](C)Cc3ccccc3)CC2)c1C#N ZINC001304731179 1067803757 /nfs/dbraw/zinc/80/37/57/1067803757.db2.gz MMSQSJZBIOCYMG-UHFFFAOYSA-N 1 0 475.645 3.164 20 30 JGEDRO Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CC(C)(C)[N@@H+]3CCC[C@@H](C)C3)CC2)c1C#N ZINC001304732182 1067805277 /nfs/dbraw/zinc/80/52/77/1067805277.db2.gz YHZHNKBHIRORSN-LJQANCHMSA-N 1 0 481.693 3.326 20 30 JGEDRO CC(C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001303278370 1067806258 /nfs/dbraw/zinc/80/62/58/1067806258.db2.gz BAHMKMMQGKPRSN-UHFFFAOYSA-N 1 0 495.031 3.444 20 30 JGEDRO CC(C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2ccnn2C)CC1 ZINC001303278493 1067806361 /nfs/dbraw/zinc/80/63/61/1067806361.db2.gz GLUFZQFWEIYUBX-UHFFFAOYSA-N 1 0 462.602 3.186 20 30 JGEDRO CC(C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001303278455 1067806741 /nfs/dbraw/zinc/80/67/41/1067806741.db2.gz FEMZCSAMWFLCAI-UHFFFAOYSA-N 1 0 492.609 3.416 20 30 JGEDRO CC(C)[NH+](CCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)C ZINC001303291177 1067815238 /nfs/dbraw/zinc/81/52/38/1067815238.db2.gz DPVKNXDXZFMWNE-QHCPKHFHSA-N 1 0 465.646 3.489 20 30 JGEDRO CC(C)[NH+](CCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1)C(C)C ZINC001303291176 1067815387 /nfs/dbraw/zinc/81/53/87/1067815387.db2.gz DPVKNXDXZFMWNE-HSZRJFAPSA-N 1 0 465.646 3.489 20 30 JGEDRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N(CCC#N)CC2CC2)CC1 ZINC001303298098 1067822216 /nfs/dbraw/zinc/82/22/16/1067822216.db2.gz OBUDIYYWLVZDRC-UHFFFAOYSA-N 1 0 490.450 3.401 20 30 JGEDRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001303301165 1067825186 /nfs/dbraw/zinc/82/51/86/1067825186.db2.gz BMRIGCQUPJTSJH-IBGZPJMESA-N 1 0 452.603 3.056 20 30 JGEDRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001303302017 1067826346 /nfs/dbraw/zinc/82/63/46/1067826346.db2.gz YTPHBCILPAXOPS-JOCHJYFZSA-N 1 0 466.630 3.303 20 30 JGEDRO CC(C)[NH+]1CCC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(C)(C)C)CC1 ZINC001303302327 1067827318 /nfs/dbraw/zinc/82/73/18/1067827318.db2.gz HQCDGDPAMVQTOE-UHFFFAOYSA-N 1 0 454.619 3.446 20 30 JGEDRO CC(C)[N@@H+]1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCc2cnccn2)C1 ZINC001303303884 1067830021 /nfs/dbraw/zinc/83/00/21/1067830021.db2.gz AOLWNTXZVIGUIG-QFIPXVFZSA-N 1 0 474.613 3.318 20 30 JGEDRO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001303414704 1067941545 /nfs/dbraw/zinc/94/15/45/1067941545.db2.gz OGJCQAKMFJJANS-NZQKXSOJSA-N 1 0 479.629 3.130 20 30 JGEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001304910608 1067953839 /nfs/dbraw/zinc/95/38/39/1067953839.db2.gz IEXWNBAORDJQOV-NJDAHSKKSA-N 1 0 493.656 3.152 20 30 JGEDRO CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304926341 1067969903 /nfs/dbraw/zinc/96/99/03/1067969903.db2.gz RCUGHKGMJLPLDX-OYRHEFFESA-N 1 0 450.635 3.363 20 30 JGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001304928270 1067975716 /nfs/dbraw/zinc/97/57/16/1067975716.db2.gz YZSIYRXUMBTTKU-YDIMBITNSA-N 1 0 487.649 3.470 20 30 JGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001304928558 1067975729 /nfs/dbraw/zinc/97/57/29/1067975729.db2.gz USEBYRDORBODMT-QWFCFKBJSA-N 1 0 458.010 3.480 20 30 JGEDRO C[C@@H]1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CCO1 ZINC001304941745 1067992399 /nfs/dbraw/zinc/99/23/99/1067992399.db2.gz LJQQRWPGPSQCLL-CTNGQTDRSA-N 1 0 452.603 3.464 20 30 JGEDRO CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2CCN(c3cc[nH+]cc3)CC2)CCOC1 ZINC001303477015 1067996339 /nfs/dbraw/zinc/99/63/39/1067996339.db2.gz KCXSYDUWOFJNAN-NLFFAJNJSA-N 1 0 467.618 3.369 20 30 JGEDRO CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304981782 1068022204 /nfs/dbraw/zinc/02/22/04/1068022204.db2.gz BEYZIQLGRHKJGD-CLOONOSVSA-N 1 0 451.619 3.288 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304984518 1068027049 /nfs/dbraw/zinc/02/70/49/1068027049.db2.gz HSCWJGVWQGBYGY-LJKQEARRSA-N 1 0 476.629 3.441 20 30 JGEDRO C[C@@H]1CCC[C@@](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)([NH+](C)C)C1 ZINC001304984777 1068028120 /nfs/dbraw/zinc/02/81/20/1068028120.db2.gz SMQLHTQQGKTGRE-HOYKHHGWSA-N 1 0 450.591 3.176 20 30 JGEDRO C[C@@H]1CCC[C@](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)([NH+](C)C)C1 ZINC001304991023 1068032881 /nfs/dbraw/zinc/03/28/81/1068032881.db2.gz UYUSLFYLUAKWBW-ZQMYSKGWSA-N 1 0 473.622 3.222 20 30 JGEDRO C[C@@H]1CCCC[N@@H+]1CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001305015264 1068056604 /nfs/dbraw/zinc/05/66/04/1068056604.db2.gz CJZPVKNCVIQRJW-IFMALSPDSA-N 1 0 479.629 3.085 20 30 JGEDRO C[C@@H]1CCCC[N@@H+]1CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001305015273 1068056782 /nfs/dbraw/zinc/05/67/82/1068056782.db2.gz CJZPVKNCVIQRJW-IRLDBZIGSA-N 1 0 479.629 3.085 20 30 JGEDRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(N3CCN(c4nccnc4C#N)C[C@@H]3C)nnc2C(C)(C)C)C1 ZINC001305019388 1068065557 /nfs/dbraw/zinc/06/55/57/1068065557.db2.gz MDKBQHADNHHIIQ-UXHICEINSA-N 1 0 479.677 3.463 20 30 JGEDRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305022663 1068073952 /nfs/dbraw/zinc/07/39/52/1068073952.db2.gz CMQMSFOTFNWFSS-WTGUMLROSA-N 1 0 456.566 3.406 20 30 JGEDRO C#CCN(CC(=O)N[C@H]1CCOC2(CC[NH+](Cc3ccccc3)CC2)C1)C(=O)OC(C)(C)C ZINC001303569211 1068091867 /nfs/dbraw/zinc/09/18/67/1068091867.db2.gz YWDUGBLDPZMRFY-QFIPXVFZSA-N 1 0 455.599 3.187 20 30 JGEDRO C[C@@H]1CCC[N@H+](CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001305049452 1068109107 /nfs/dbraw/zinc/10/91/07/1068109107.db2.gz IJENHQSRJSKGMU-YLJYHZDGSA-N 1 0 489.546 3.053 20 30 JGEDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001305060127 1068124316 /nfs/dbraw/zinc/12/43/16/1068124316.db2.gz ONZIRDOOVOVVQM-ZWKOTPCHSA-N 1 0 461.536 3.374 20 30 JGEDRO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C)[NH+]1CCC(C)CC1 ZINC001305063512 1068132182 /nfs/dbraw/zinc/13/21/82/1068132182.db2.gz POQHRLXANHSHAY-IBGZPJMESA-N 1 0 451.619 3.288 20 30 JGEDRO CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001305065353 1068136904 /nfs/dbraw/zinc/13/69/04/1068136904.db2.gz YLTINDDKASPJTA-HXUWFJFHSA-N 1 0 451.619 3.146 20 30 JGEDRO C[C@H](c1ccco1)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCC[NH+]1CCC(O)CC1 ZINC001303625401 1068156010 /nfs/dbraw/zinc/15/60/10/1068156010.db2.gz XOTSYVCECWSOKX-LJQANCHMSA-N 1 0 464.570 3.366 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001303627394 1068157036 /nfs/dbraw/zinc/15/70/36/1068157036.db2.gz JRSDLDXUMIJDFA-AUSIDOKSSA-N 1 0 489.628 3.016 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001303635549 1068163825 /nfs/dbraw/zinc/16/38/25/1068163825.db2.gz AOTCRNJFCQJRGF-ZJSXRUAMSA-N 1 0 459.598 3.293 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001303635548 1068163845 /nfs/dbraw/zinc/16/38/45/1068163845.db2.gz AOTCRNJFCQJRGF-XUZZJYLKSA-N 1 0 459.598 3.293 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001303637557 1068165427 /nfs/dbraw/zinc/16/54/27/1068165427.db2.gz XKWZSNGDIHYHBI-OAQYLSRUSA-N 1 0 451.619 3.285 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001303641175 1068168451 /nfs/dbraw/zinc/16/84/51/1068168451.db2.gz ADQNGVFPJZCFSX-GOSISDBHSA-N 1 0 477.638 3.107 20 30 JGEDRO CC1CC[NH+](CCn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@](C)(C#N)C2)CC1 ZINC001305110199 1068181276 /nfs/dbraw/zinc/18/12/76/1068181276.db2.gz FQCLZYRVOSHANK-HSZRJFAPSA-N 1 0 455.632 3.132 20 30 JGEDRO C[C@@H]1C[NH+](C(C)(C)Cn2c(N3CCN(c4ccc(C#N)cn4)CC3)nnc2C(C)(C)C)C[C@@H](C)O1 ZINC001305111358 1068182867 /nfs/dbraw/zinc/18/28/67/1068182867.db2.gz BPUNTVQJXKOXFV-WOJBJXKFSA-N 1 0 480.661 3.057 20 30 JGEDRO C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@](F)(C#N)C2)C[C@@H](C)O1 ZINC001305113720 1068190608 /nfs/dbraw/zinc/19/06/08/1068190608.db2.gz WCOOLZXTHGQBSU-OJLQRUNKSA-N 1 0 476.547 3.477 20 30 JGEDRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@](F)(C#N)C2)C[C@H](C)O1 ZINC001305113723 1068190676 /nfs/dbraw/zinc/19/06/76/1068190676.db2.gz WCOOLZXTHGQBSU-XVTZWQNCSA-N 1 0 476.547 3.477 20 30 JGEDRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)C[C@H](C)O1 ZINC001305114472 1068192464 /nfs/dbraw/zinc/19/24/64/1068192464.db2.gz YJFAOZGRTYABCI-OYRHEFFESA-N 1 0 494.688 3.348 20 30 JGEDRO C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC001303692040 1068232849 /nfs/dbraw/zinc/23/28/49/1068232849.db2.gz OLZINGFFMKJQQL-FXAWDEMLSA-N 1 0 498.429 3.295 20 30 JGEDRO C[C@H](c1nccs1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001303697921 1068241542 /nfs/dbraw/zinc/24/15/42/1068241542.db2.gz ATPZKRXPPDPBKZ-ZWKOTPCHSA-N 1 0 450.616 3.107 20 30 JGEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1)[NH+](C)C ZINC001303699541 1068242014 /nfs/dbraw/zinc/24/20/14/1068242014.db2.gz IPEODCNGJYWHKT-CQSZACIVSA-N 1 0 456.476 3.138 20 30 JGEDRO CC(C)n1nc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001303709586 1068255692 /nfs/dbraw/zinc/25/56/92/1068255692.db2.gz WIJBOPFWPUUYFS-SFHVURJKSA-N 1 0 462.602 3.316 20 30 JGEDRO C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H](C(F)(F)F)O1 ZINC001305150383 1068255970 /nfs/dbraw/zinc/25/59/70/1068255970.db2.gz KGDJIEWUWRTTQS-YWMUFLPLSA-N 1 0 480.560 3.410 20 30 JGEDRO C[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001303720720 1068269630 /nfs/dbraw/zinc/26/96/30/1068269630.db2.gz ZWXBZLZSDMVPBY-RTBURBONSA-N 1 0 459.639 3.473 20 30 JGEDRO C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2cccs2)CC1)[NH+](C)C ZINC001303736248 1068293874 /nfs/dbraw/zinc/29/38/74/1068293874.db2.gz ICGUARFMDUEUHY-IBGZPJMESA-N 1 0 465.627 3.063 20 30 JGEDRO C[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C2CC2)[C@H](C#N)C1)[NH+](C)C ZINC001303737930 1068296402 /nfs/dbraw/zinc/29/64/02/1068296402.db2.gz RLFIODRYKDUGRR-MAUKXSAKSA-N 1 0 478.428 3.291 20 30 JGEDRO C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001303752608 1068313663 /nfs/dbraw/zinc/31/36/63/1068313663.db2.gz IIZCPWHOLKSIFH-LEWJYISDSA-N 1 0 465.650 3.312 20 30 JGEDRO C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001305221009 1068359244 /nfs/dbraw/zinc/35/92/44/1068359244.db2.gz IFSJOHXPGUHNSR-PMACEKPBSA-N 1 0 470.643 3.171 20 30 JGEDRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001305261720 1068431325 /nfs/dbraw/zinc/43/13/25/1068431325.db2.gz IDYCIZQYQVREOS-GOTSBHOMSA-N 1 0 463.630 3.432 20 30 JGEDRO C[C@@H](NS(C)(=O)=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001303820229 1068436136 /nfs/dbraw/zinc/43/61/36/1068436136.db2.gz LXLNZIDWXKEJON-LJQANCHMSA-N 1 0 499.685 3.193 20 30 JGEDRO CC(C)[NH+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(C#N)cc2)CC1)C(C)C ZINC001303824032 1068441592 /nfs/dbraw/zinc/44/15/92/1068441592.db2.gz UCYURPBZZIVTLR-HXUWFJFHSA-N 1 0 499.685 3.172 20 30 JGEDRO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001305324720 1068545143 /nfs/dbraw/zinc/54/51/43/1068545143.db2.gz SXFAKTFLXJCWGG-IDISGSTGSA-N 1 0 490.656 3.411 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001303916472 1068568194 /nfs/dbraw/zinc/56/81/94/1068568194.db2.gz IZZNSSBPNZNRPI-OALUTQOASA-N 1 0 457.598 3.322 20 30 JGEDRO CC[C@H](C)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001305442249 1068677743 /nfs/dbraw/zinc/67/77/43/1068677743.db2.gz DWAWJPXTKUCHRW-XUKXGFMLSA-N 1 0 483.661 3.410 20 30 JGEDRO CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC1CC[NH+](CC)CC1 ZINC001305522742 1068775498 /nfs/dbraw/zinc/77/54/98/1068775498.db2.gz QCCVUXBYKXUKOD-LJQANCHMSA-N 1 0 467.666 3.154 20 30 JGEDRO CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001305531218 1068787413 /nfs/dbraw/zinc/78/74/13/1068787413.db2.gz HOMNSRBBMJKJAH-ZEYPLWLESA-N 1 0 451.619 3.280 20 30 JGEDRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C#N)C1 ZINC001305604500 1068870103 /nfs/dbraw/zinc/87/01/03/1068870103.db2.gz FYMRCEFZACNWBE-ZBFHGGJFSA-N 1 0 465.371 3.306 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C#N)C1 ZINC001305609659 1068882724 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JGEDRO CC(C)CC[NH+]1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)CC#N)CC1 ZINC001303089729 1067625936 /nfs/dbraw/zinc/62/59/36/1067625936.db2.gz GUNKLFNOJKJQJF-LJQANCHMSA-N 1 0 452.607 3.422 20 30 JGEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CC1 ZINC001303090427 1067627044 /nfs/dbraw/zinc/62/70/44/1067627044.db2.gz SSNHXDSSHBVISF-FQEVSTJZSA-N 1 0 486.686 3.444 20 30 JGEDRO CC(C)CC[NH+]1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CC1 ZINC001303090428 1067627059 /nfs/dbraw/zinc/62/70/59/1067627059.db2.gz SSNHXDSSHBVISF-HXUWFJFHSA-N 1 0 486.686 3.444 20 30 JGEDRO CC(C)C[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)(F)F)CC1 ZINC001303199062 1067734900 /nfs/dbraw/zinc/73/49/00/1067734900.db2.gz UBYNHOMVKDXBQI-UHFFFAOYSA-N 1 0 466.508 3.433 20 30 JGEDRO CC(C)C[N@@H+]1CCO[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001303203158 1067739134 /nfs/dbraw/zinc/73/91/34/1067739134.db2.gz CAMQRQCONNCXIK-RCZVLFRGSA-N 1 0 454.594 3.252 20 30 JGEDRO CC(C)CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001303227965 1067763617 /nfs/dbraw/zinc/76/36/17/1067763617.db2.gz ZFXOALSKJZRGOM-RPWUZVMVSA-N 1 0 466.630 3.425 20 30 JGEDRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 ZINC001303256077 1067782984 /nfs/dbraw/zinc/78/29/84/1067782984.db2.gz IIKHLBMHFKYLMR-UHFFFAOYSA-N 1 0 484.670 3.198 20 30 JGEDRO CC(C)[N@H+](C)CC1CCN(c2nnc(-c3ccccc3F)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001303256694 1067783755 /nfs/dbraw/zinc/78/37/55/1067783755.db2.gz OTJFFYDRZDIEPC-WJTDDFOZSA-N 1 0 495.603 3.167 20 30 JGEDRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001303268381 1067796324 /nfs/dbraw/zinc/79/63/24/1067796324.db2.gz GZEJJNPSODEDEA-BHDDXSALSA-N 1 0 457.667 3.104 20 30 JGEDRO CC(C)[N@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@](C)(C#N)C1 ZINC001303277025 1067804630 /nfs/dbraw/zinc/80/46/30/1067804630.db2.gz QNKPYZLTTZLYQK-YADARESESA-N 1 0 475.638 3.057 20 30 JGEDRO CC(C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001303278748 1067807597 /nfs/dbraw/zinc/80/75/97/1067807597.db2.gz OSGCMIBBMGVHQQ-SFHVURJKSA-N 1 0 479.551 3.142 20 30 JGEDRO CC(C)[NH+](CCCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)C(C)C ZINC001303291591 1067815977 /nfs/dbraw/zinc/81/59/77/1067815977.db2.gz KVEXFPVAYCYNOT-UHFFFAOYSA-N 1 0 487.656 3.366 20 30 JGEDRO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CC2([NH+]3CCSCC3)CCCCC2)n1 ZINC001304741616 1067818321 /nfs/dbraw/zinc/81/83/21/1067818321.db2.gz SQOHDCBOXHCZFY-IBGZPJMESA-N 1 0 470.691 3.487 20 30 JGEDRO CC(C)[NH+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2ccccn2)CC1)C(C)C ZINC001303292858 1067818723 /nfs/dbraw/zinc/81/87/23/1067818723.db2.gz RLTIATGFCXDRKW-UHFFFAOYSA-N 1 0 486.624 3.293 20 30 JGEDRO CC(C)[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCCC2(C)C)CC1 ZINC001303317281 1067845810 /nfs/dbraw/zinc/84/58/10/1067845810.db2.gz SSIUSILGHSSXTG-VWLOTQADSA-N 1 0 452.603 3.200 20 30 JGEDRO CC(C)NC(=O)c1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1Cc1ccc(C#N)o1 ZINC001303328773 1067856622 /nfs/dbraw/zinc/85/66/22/1067856622.db2.gz RLNLKEAFHNYPMT-FQEVSTJZSA-N 1 0 461.570 3.030 20 30 JGEDRO CC(C)NC(=O)c1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCC[N@H+](C)C(C)C ZINC001303387297 1067915399 /nfs/dbraw/zinc/91/53/99/1067915399.db2.gz XEZQPCLSQDHROH-HSZRJFAPSA-N 1 0 465.646 3.477 20 30 JGEDRO Cc1noc(C2(C)CCN(c3nnc(COc4ccc(C#N)cc4)n3CC[N@@H+](C)C(C)C)CC2)n1 ZINC001304890190 1067934437 /nfs/dbraw/zinc/93/44/37/1067934437.db2.gz YBPPBMNIFIKOBX-UHFFFAOYSA-N 1 0 478.601 3.319 20 30 JGEDRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001304923190 1067964746 /nfs/dbraw/zinc/96/47/46/1067964746.db2.gz BNBDKXDOVDLJIJ-PMACEKPBSA-N 1 0 463.630 3.277 20 30 JGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001304928269 1067975682 /nfs/dbraw/zinc/97/56/82/1067975682.db2.gz YZSIYRXUMBTTKU-KHCICDEESA-N 1 0 487.649 3.470 20 30 JGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001304928559 1067975709 /nfs/dbraw/zinc/97/57/09/1067975709.db2.gz USEBYRDORBODMT-WSTZPKSXSA-N 1 0 458.010 3.480 20 30 JGEDRO CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2CCN(c3cc[nH+]cc3)CC2)CCOC1 ZINC001303477013 1067996376 /nfs/dbraw/zinc/99/63/76/1067996376.db2.gz KCXSYDUWOFJNAN-NBGIEHNGSA-N 1 0 467.618 3.369 20 30 JGEDRO C[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001304959587 1068004463 /nfs/dbraw/zinc/00/44/63/1068004463.db2.gz FXFWVIGVDQOSQN-VIZSFHNOSA-N 1 0 463.630 3.384 20 30 JGEDRO CC(C)O[C@]1(c2nnc(N(Cc3ccc(C#N)cc3)C3CC3)n2C[C@@H](C)[NH+](C)C)CCOC1 ZINC001303487026 1068009377 /nfs/dbraw/zinc/00/93/77/1068009377.db2.gz GHTABNLBOWQMJO-KBMIEXCESA-N 1 0 452.603 3.309 20 30 JGEDRO CC1CCC([NH+]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CCCC(=O)N(C)C)CC2)CC1 ZINC001304981058 1068020877 /nfs/dbraw/zinc/02/08/77/1068020877.db2.gz XZSMTLLCWALVCO-UHFFFAOYSA-N 1 0 493.656 3.298 20 30 JGEDRO CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001304983175 1068024922 /nfs/dbraw/zinc/02/49/22/1068024922.db2.gz JDTHUABZGXUYDL-OHUGHZGNSA-N 1 0 465.650 3.289 20 30 JGEDRO C[C@@H]1CCC[C@](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(S(C)(=O)=O)CC2)([NH+](C)C)C1 ZINC001304984049 1068026479 /nfs/dbraw/zinc/02/64/79/1068026479.db2.gz OOIRDMDKKAIMNI-CLOONOSVSA-N 1 0 484.670 3.341 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001305019039 1068064911 /nfs/dbraw/zinc/06/49/11/1068064911.db2.gz VGWVHABWGVOJKF-OALUTQOASA-N 1 0 472.663 3.241 20 30 JGEDRO CC(C)[NH+]1CCC(O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001305047326 1068105883 /nfs/dbraw/zinc/10/58/83/1068105883.db2.gz RVLOMDOCFYMWHC-HXUWFJFHSA-N 1 0 452.603 3.200 20 30 JGEDRO C[C@@H]1CCC[N@H+](CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(O)(C(F)(F)F)CC2)C1 ZINC001305051942 1068115674 /nfs/dbraw/zinc/11/56/74/1068115674.db2.gz RKCJCKYEDCDIFY-QGZVFWFLSA-N 1 0 462.520 3.442 20 30 JGEDRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001305060124 1068124301 /nfs/dbraw/zinc/12/43/01/1068124301.db2.gz ONZIRDOOVOVVQM-ROUUACIJSA-N 1 0 461.536 3.374 20 30 JGEDRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001305060115 1068124497 /nfs/dbraw/zinc/12/44/97/1068124497.db2.gz ONZIRDOOVOVVQM-MSOLQXFVSA-N 1 0 461.536 3.374 20 30 JGEDRO C[C@@H](CC#N)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC1(C)CCOCC1 ZINC001303637097 1068165442 /nfs/dbraw/zinc/16/54/42/1068165442.db2.gz RWCDMIPTERGZQC-QFIPXVFZSA-N 1 0 465.646 3.198 20 30 JGEDRO C[C@@H]1C[NH+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccon2)C[C@@H](C)O1 ZINC001305112191 1068186124 /nfs/dbraw/zinc/18/61/24/1068186124.db2.gz KEOPHYGPNMNVMW-RTBURBONSA-N 1 0 479.585 3.241 20 30 JGEDRO C[C@H]1C[NH+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC=CCC2)C[C@H](C)O1 ZINC001305112688 1068188043 /nfs/dbraw/zinc/18/80/43/1068188043.db2.gz OOTIVBHFEQBYQH-PMACEKPBSA-N 1 0 450.587 3.383 20 30 JGEDRO C[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC001303665508 1068198928 /nfs/dbraw/zinc/19/89/28/1068198928.db2.gz UTQRZXVEFFZTAP-LJQANCHMSA-N 1 0 470.643 3.095 20 30 JGEDRO CC(C)[NH+](CCCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C)C(C)C ZINC001305123224 1068207754 /nfs/dbraw/zinc/20/77/54/1068207754.db2.gz UNUOEBARPYBSSG-HXUWFJFHSA-N 1 0 467.666 3.461 20 30 JGEDRO C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1)[N@H+](C)C1CC1 ZINC001303689795 1068229468 /nfs/dbraw/zinc/22/94/68/1068229468.db2.gz VNHOFPNYGVQVSE-KRWDZBQOSA-N 1 0 470.021 3.474 20 30 JGEDRO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+](C)C ZINC001303694033 1068236443 /nfs/dbraw/zinc/23/64/43/1068236443.db2.gz DCVAMFWOAJYJSI-QZTJIDSGSA-N 1 0 453.591 3.212 20 30 JGEDRO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1)[NH+](C)C ZINC001303695167 1068237872 /nfs/dbraw/zinc/23/78/72/1068237872.db2.gz RQWKJHTXLNOOOY-MRXNPFEDSA-N 1 0 468.968 3.281 20 30 JGEDRO C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CC=CCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001305147719 1068250092 /nfs/dbraw/zinc/25/00/92/1068250092.db2.gz FCBOBIUHDQOEQC-DENIHFKCSA-N 1 0 477.613 3.428 20 30 JGEDRO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)[N@H+](C)C1CC1 ZINC001305150391 1068255858 /nfs/dbraw/zinc/25/58/58/1068255858.db2.gz KKIKAGJJJFHKAJ-SJORKVTESA-N 1 0 461.536 3.372 20 30 JGEDRO C[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C)(C#N)CC1)[NH+](C)C ZINC001303720715 1068269600 /nfs/dbraw/zinc/26/96/00/1068269600.db2.gz ZWXBZLZSDMVPBY-MOPGFXCFSA-N 1 0 459.639 3.473 20 30 JGEDRO C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(C)(C#N)CC1)C[NH+]1CCCC1 ZINC001303744568 1068304948 /nfs/dbraw/zinc/30/49/48/1068304948.db2.gz DEPNUBKJYZENPK-HXUWFJFHSA-N 1 0 499.685 3.057 20 30 JGEDRO C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CCOCC1)C[NH+]1CCCC1 ZINC001303752399 1068313223 /nfs/dbraw/zinc/31/32/23/1068313223.db2.gz QYAMHXXOQSWLFT-HXUWFJFHSA-N 1 0 452.603 3.323 20 30 JGEDRO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC#N)CC1)C[NH+]1CCOCC1 ZINC001303757102 1068320629 /nfs/dbraw/zinc/32/06/29/1068320629.db2.gz VLDLMRBZVBFPET-INIZCTEOSA-N 1 0 476.423 3.134 20 30 JGEDRO C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC001305220023 1068357593 /nfs/dbraw/zinc/35/75/93/1068357593.db2.gz DTUIEPHTLWYHNS-HBMCJLEFSA-N 1 0 452.603 3.322 20 30 JGEDRO C[C@@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H]1C ZINC001305257447 1068421173 /nfs/dbraw/zinc/42/11/73/1068421173.db2.gz RCKXHKPJVIZCMZ-CNNODRBYSA-N 1 0 481.670 3.090 20 30 JGEDRO CC[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001305307852 1068515776 /nfs/dbraw/zinc/51/57/76/1068515776.db2.gz UUVDHESAFXIMSG-SANMLTNESA-N 1 0 459.598 3.009 20 30 JGEDRO CC[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001305307851 1068515960 /nfs/dbraw/zinc/51/59/60/1068515960.db2.gz UUVDHESAFXIMSG-AREMUKBSSA-N 1 0 459.598 3.009 20 30 JGEDRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001303896056 1068534846 /nfs/dbraw/zinc/53/48/46/1068534846.db2.gz WJUPMBOAHIHNNW-LJQANCHMSA-N 1 0 469.609 3.323 20 30 JGEDRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001303896055 1068534873 /nfs/dbraw/zinc/53/48/73/1068534873.db2.gz WJUPMBOAHIHNNW-IBGZPJMESA-N 1 0 469.609 3.323 20 30 JGEDRO C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001303931744 1068589921 /nfs/dbraw/zinc/58/99/21/1068589921.db2.gz IQGOEVJUVUTJII-RBUKOAKNSA-N 1 0 456.566 3.408 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001305603661 1068867701 /nfs/dbraw/zinc/86/77/01/1068867701.db2.gz AJCWXBZKZVTWHP-LPHOPBHVSA-N 1 0 477.535 3.052 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001305607741 1068876794 /nfs/dbraw/zinc/87/67/94/1068876794.db2.gz YISOAVKLIXEIRH-NZQKXSOJSA-N 1 0 478.645 3.054 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001305617815 1068899867 /nfs/dbraw/zinc/89/98/67/1068899867.db2.gz JLQQIOBZSXTMCG-FQEVSTJZSA-N 1 0 476.604 3.332 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001305619667 1068904038 /nfs/dbraw/zinc/90/40/38/1068904038.db2.gz HCTOTJKZTCJQIF-FQEVSTJZSA-N 1 0 492.603 3.320 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001305621000 1068906153 /nfs/dbraw/zinc/90/61/53/1068906153.db2.gz URVIKTCZYCBLGM-QFIPXVFZSA-N 1 0 472.641 3.188 20 30 JGEDRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001305621316 1068907476 /nfs/dbraw/zinc/90/74/76/1068907476.db2.gz VWPOQXWXNPGYAY-WOJBJXKFSA-N 1 0 491.619 3.115 20 30 JGEDRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001305621446 1068908489 /nfs/dbraw/zinc/90/84/89/1068908489.db2.gz OVDNQKMEDJTOLI-FQEVSTJZSA-N 1 0 496.660 3.089 20 30 JGEDRO CC[C@@H](C)[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001305622708 1068911989 /nfs/dbraw/zinc/91/19/89/1068911989.db2.gz SNBLCELLMSVWBZ-HXUWFJFHSA-N 1 0 488.640 3.483 20 30 JGEDRO CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001305627966 1068927671 /nfs/dbraw/zinc/92/76/71/1068927671.db2.gz KQGZTLZFRIOUHD-UNMCSNQZSA-N 1 0 463.630 3.434 20 30 JGEDRO CCC(CC)[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)[C@@H](C)CC#N)[NH+]1CCOCC1 ZINC001305709786 1069105615 /nfs/dbraw/zinc/10/56/15/1069105615.db2.gz GBIJMJYZMGHUKZ-AVRDEDQJSA-N 1 0 492.628 3.469 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)[NH+](C)C ZINC001305710014 1069106848 /nfs/dbraw/zinc/10/68/48/1069106848.db2.gz DFMBCEAOQJMMMU-FGZHOGPDSA-N 1 0 455.676 3.473 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1)[NH+]1CCOCC1 ZINC001305711109 1069109487 /nfs/dbraw/zinc/10/94/87/1069109487.db2.gz APWOUTKXACMVBG-DHIUTWEWSA-N 1 0 471.694 3.180 20 30 JGEDRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1)[NH+]1CCOCC1 ZINC001305711117 1069109528 /nfs/dbraw/zinc/10/95/28/1069109528.db2.gz APWOUTKXACMVBG-PKTZIBPZSA-N 1 0 471.694 3.180 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCOC1)[NH+]1CCOCC1 ZINC001305710915 1069109544 /nfs/dbraw/zinc/10/95/44/1069109544.db2.gz XSPMYBHJHDKDIO-XZOQPEGZSA-N 1 0 452.603 3.179 20 30 JGEDRO CCC(CC)[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C#N)C1)[NH+]1CCOCC1 ZINC001305717709 1069124870 /nfs/dbraw/zinc/12/48/70/1069124870.db2.gz WBTYWDMUALPCQW-DNQXCXABSA-N 1 0 496.656 3.340 20 30 JGEDRO CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001305724172 1069138596 /nfs/dbraw/zinc/13/85/96/1069138596.db2.gz SDNSPRFWGYWKRX-RBUKOAKNSA-N 1 0 451.619 3.239 20 30 JGEDRO CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001305724176 1069138762 /nfs/dbraw/zinc/13/87/62/1069138762.db2.gz SDNSPRFWGYWKRX-RTBURBONSA-N 1 0 451.619 3.239 20 30 JGEDRO CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001305755496 1069207429 /nfs/dbraw/zinc/20/74/29/1069207429.db2.gz KJAQNXACLIVOHS-YKSBVNFPSA-N 1 0 455.582 3.250 20 30 JGEDRO CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001305756583 1069211205 /nfs/dbraw/zinc/21/12/05/1069211205.db2.gz ZEQPHWXDRDYYHF-YDIMBITNSA-N 1 0 461.630 3.397 20 30 JGEDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(OC)nc(Cl)c1C#N)C2 ZINC001164613938 719009372 /nfs/dbraw/zinc/00/93/72/719009372.db2.gz ANJWUGYQCZUMBV-IIBYNOLFSA-N 1 0 468.932 3.309 20 30 JGEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc(Cl)nc3C#N)CC2)c2ccccc21 ZINC001164684442 719661769 /nfs/dbraw/zinc/66/17/69/719661769.db2.gz XJHFOHPSIBLFNR-KRWDZBQOSA-N 1 0 452.990 3.095 20 30 JGEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nnc(Cl)cc3C#N)CC2)c2ccccc21 ZINC001164681902 719662698 /nfs/dbraw/zinc/66/26/98/719662698.db2.gz SILZWVRVHBHSFW-KRWDZBQOSA-N 1 0 452.990 3.095 20 30 JGEDRO COc1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(F)cc1C#N ZINC001164684499 719676190 /nfs/dbraw/zinc/67/61/90/719676190.db2.gz UJFUYLCVHVHRCT-SFHVURJKSA-N 1 0 465.573 3.194 20 30 JGEDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C#C[Si](C)(C)C)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164683539 719732040 /nfs/dbraw/zinc/73/20/40/719732040.db2.gz AKWWKTARIAZWOV-UHFFFAOYSA-N 1 0 483.733 3.476 20 30 JGEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)nc1 ZINC001164693568 719783998 /nfs/dbraw/zinc/78/39/98/719783998.db2.gz AMYWIOHEMBJTPM-SQHAQQRYSA-N 1 0 475.593 3.139 20 30 JGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(C#C[Si](C)(C)C)c1C(=O)OC)C2 ZINC001164816211 720140120 /nfs/dbraw/zinc/14/01/20/720140120.db2.gz YKSOPMCSKDQFIU-PXDATVDWSA-N 1 0 455.675 3.282 20 30 JGEDRO Cn1nnc2c1CCN(c1cnc(Cl)nc1Oc1cccc(C#N)c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716693 720205051 /nfs/dbraw/zinc/20/50/51/720205051.db2.gz CYOLLEUDTYVJAE-OAQYLSRUSA-N 1 0 494.987 3.139 20 30 JGEDRO 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